 
data_s92 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C36 H102 Na6 O30 Si6' 
_chemical_formula_weight          1321.66 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Na'  'Na'   0.0362   0.0249 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'   0.0817   0.0704 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Triclinic 
_symmetry_space_group_name_H-M    P1 
_symmetry_space_group_name_hall   'P 1'
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 
_cell_length_a                    9.16150(10) 
_cell_length_b                    10.1143(2) 
_cell_length_c                    18.1371(5) 
_cell_angle_alpha                 88.5860(10) 
_cell_angle_beta                  80.2380(10) 
_cell_angle_gamma                 70.995(2) 
_cell_volume                      1565.16(6) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     5079 
_cell_measurement_theta_min       2.91 
_cell_measurement_theta_max       39.39 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.15 
_exptl_crystal_size_mid           0.10 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.402 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              708 
_exptl_absorpt_coefficient_mu     0.256 
_exptl_absorpt_correction_type    Empirical
_exptl_absorpt_correction_T_min   0.9626 
_exptl_absorpt_correction_T_max   0.9748 
_exptl_absorpt_process_details    'SORTAV (R. H. Blessing, 1995, 1997)' 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method        'ω and φ scans to fill Ewald sphere'
_diffrn_detector_area_resol_mean  '9.091 pixels/mm'
_diffrn_standards_number          'n/a'
_diffrn_standards_interval_count  'n/a'
_diffrn_standards_interval_time   'n/a'
_diffrn_standards_decay_%         'n/a'
_diffrn_reflns_number             10149 
_diffrn_reflns_av_R_equivalents   0.0314 
_diffrn_reflns_av_sigmaI/netI     0.0499 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -16 
_diffrn_reflns_limit_l_max        22 
_diffrn_reflns_theta_min          3.00 
_diffrn_reflns_theta_max          26.00 
_reflns_number_total              7727 
_reflns_number_gt                 7116 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_cell_refinement        'DENZO and COLLECT'
_computing_data_reduction         'DENZO and COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     ?
_computing_publication_material   SHELXL-97
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0554P)²+0.5360P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0026(9) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.28(10) 
_refine_ls_number_reflns          7727 
_refine_ls_number_parameters      759 
_refine_ls_number_restraints      3 
_refine_ls_R_factor_all           0.0389 
_refine_ls_R_factor_gt            0.0338 
_refine_ls_wR_factor_ref          0.0895 
_refine_ls_wR_factor_gt           0.0866 
_refine_ls_goodness_of_fit_ref    0.935 
_refine_ls_restrained_S_all       0.935 
_refine_ls_shift/su_max           0.055 
_refine_ls_shift/su_mean          0.004 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Si1 Si 1.03669(10) 0.97120(10) 0.47205(5) 0.0109(2) Uani 1 1 d . . . 
Si2 Si 1.38890(10) 0.86924(10) 0.45189(5) 0.0113(2) Uani 1 1 d . . . 
Si3 Si 1.21679(10) 0.65780(10) 0.46264(5) 0.0109(2) Uani 1 1 d . . . 
O1 O 0.9208(3) 1.0366(3) 0.54739(14) 0.0129(6) Uani 1 1 d . . . 
O2 O 1.2125(3) 0.9863(3) 0.46798(14) 0.0150(6) Uani 1 1 d . . . 
O3 O 1.4979(3) 0.8920(3) 0.50652(14) 0.0162(6) Uani 1 1 d . . . 
O4 O 1.3640(3) 0.7152(3) 0.46983(13) 0.0128(6) Uani 1 1 d . . . 
O5 O 1.1975(3) 0.5568(3) 0.52947(13) 0.0143(6) Uani 1 1 d . . . 
O6 O 1.0639(3) 0.8021(3) 0.46594(13) 0.0130(6) Uani 1 1 d . . . 
C10 C 0.9553(4) 1.0550(4) 0.3882(2) 0.0159(8) Uani 1 1 d . . . 
H10 H 0.8425 1.0610 0.3969 0.019 Uiso 1 1 calc R . . 
C11 C 1.0277(5) 0.9800(5) 0.3132(2) 0.0255(10) Uani 1 1 d . . . 
H11A H 1.0209 0.8842 0.3156 0.031 Uiso 1 1 calc R . . 
H11B H 1.1400 0.9719 0.3022 0.031 Uiso 1 1 calc R . . 
C12 C 0.9462(5) 1.0566(5) 0.2502(2) 0.0265(10) Uani 1 1 d . . . 
H12A H 1.0005 1.0068 0.2019 0.032 Uiso 1 1 calc R . . 
H12B H 0.8368 1.0559 0.2584 0.032 Uiso 1 1 calc R . . 
C13 C 0.9460(5) 1.2064(5) 0.2465(2) 0.0292(11) Uani 1 1 d . . . 
H13A H 0.8848 1.2552 0.2080 0.035 Uiso 1 1 calc R . . 
H13B H 1.0547 1.2073 0.2317 0.035 Uiso 1 1 calc R . . 
C14 C 0.8749(6) 1.2830(5) 0.3220(2) 0.0381(12) Uani 1 1 d . . . 
H14A H 0.8820 1.3786 0.3191 0.046 Uiso 1 1 calc R . . 
H14B H 0.7627 1.2913 0.3340 0.046 Uiso 1 1 calc R . . 
C15 C 0.9574(6) 1.2076(5) 0.3836(2) 0.0333(11) Uani 1 1 d . . . 
H15A H 0.9054 1.2580 0.4320 0.040 Uiso 1 1 calc R . . 
H15B H 1.0673 1.2070 0.3741 0.040 Uiso 1 1 calc R . . 
C20 C 1.4706(4) 0.8616(4) 0.3499(2) 0.0143(8) Uani 1 1 d . . . 
H20 H 1.3865 0.8533 0.3235 0.017 Uiso 1 1 calc R . . 
C21 C 1.5084(5) 0.9901(4) 0.3187(2) 0.0208(9) Uani 1 1 d . . . 
H21A H 1.4158 1.0745 0.3329 0.025 Uiso 1 1 calc R . . 
H21B H 1.5956 1.0009 0.3408 0.025 Uiso 1 1 calc R . . 
C22 C 1.5540(6) 0.9780(5) 0.2340(2) 0.0303(11) Uani 1 1 d . . . 
H22A H 1.5838 1.0603 0.2158 0.036 Uiso 1 1 calc R . . 
H22B H 1.4628 0.9779 0.2116 0.036 Uiso 1 1 calc R . . 
C23 C 1.6898(6) 0.8456(5) 0.2090(2) 0.0324(11) Uani 1 1 d . . . 
H23A H 1.7851 0.8524 0.2251 0.039 Uiso 1 1 calc R . . 
H23B H 1.7099 0.8373 0.1536 0.039 Uiso 1 1 calc R . . 
C24 C 1.6584(5) 0.7141(5) 0.2409(2) 0.0284(10) Uani 1 1 d . . . 
H24A H 1.7538 0.6318 0.2275 0.034 Uiso 1 1 calc R . . 
H24B H 1.5732 0.6986 0.2190 0.034 Uiso 1 1 calc R . . 
C25 C 1.6116(5) 0.7298(4) 0.3262(2) 0.0215(9) Uani 1 1 d . . . 
H25A H 1.7014 0.7347 0.3483 0.026 Uiso 1 1 calc R . . 
H25B H 1.5854 0.6466 0.3457 0.026 Uiso 1 1 calc R . . 
C30 C 1.2560(4) 0.5767(4) 0.3672(2) 0.0133(8) Uani 1 1 d . . . 
H30 H 1.2868 0.6439 0.3317 0.016 Uiso 1 1 calc R . . 
C31 C 1.1146(4) 0.5525(4) 0.3421(2) 0.0198(9) Uani 1 1 d . . . 
H31A H 1.0829 0.4824 0.3741 0.024 Uiso 1 1 calc R . . 
H31B H 1.0253 0.6410 0.3481 0.024 Uiso 1 1 calc R . . 
C32 C 1.1552(5) 0.5007(5) 0.2602(2) 0.0285(10) Uani 1 1 d . . . 
H32A H 1.0639 0.4826 0.2456 0.034 Uiso 1 1 calc R . . 
H32B H 1.1782 0.5744 0.2279 0.034 Uiso 1 1 calc R . . 
C33 C 1.2960(5) 0.3677(5) 0.2475(2) 0.0284(10) Uani 1 1 d . . . 
H33A H 1.3240 0.3416 0.1935 0.034 Uiso 1 1 calc R . . 
H33B H 1.2681 0.2906 0.2744 0.034 Uiso 1 1 calc R . . 
C34 C 1.4377(5) 0.3859(5) 0.2749(2) 0.0297(11) Uani 1 1 d . . . 
H34A H 1.4758 0.4528 0.2430 0.036 Uiso 1 1 calc R . . 
H34B H 1.5234 0.2950 0.2704 0.036 Uiso 1 1 calc R . . 
C35 C 1.3948(5) 0.4399(4) 0.3566(2) 0.0198(9) Uani 1 1 d . . . 
H35A H 1.4866 0.4559 0.3720 0.024 Uiso 1 1 calc R . . 
H35B H 1.3678 0.3683 0.3890 0.024 Uiso 1 1 calc R . . 
Si4 Si 0.77457(10) 0.96908(10) 0.85705(5) 0.0107(2) Uani 1 1 d . . . 
Si5 Si 0.59895(10) 0.76126(11) 0.86218(5) 0.0113(2) Uani 1 1 d . . . 
Si6 Si 0.94977(10) 0.65373(10) 0.84872(5) 0.0105(2) Uani 1 1 d . . . 
O7 O 0.8063(3) 1.0706(3) 0.79267(13) 0.0145(6) Uani 1 1 d . . . 
O8 O 0.6303(3) 0.9121(3) 0.84370(13) 0.0122(6) Uani 1 1 d . . . 
O9 O 0.4998(3) 0.7363(3) 0.80343(13) 0.0147(6) Uani 1 1 d . . . 
O10 O 0.7745(3) 0.6410(3) 0.85112(14) 0.0130(6) Uani 1 1 d . . . 
O11 O 1.0654(3) 0.5924(3) 0.77204(14) 0.0143(6) Uani 1 1 d . . . 
O12 O 0.9255(3) 0.8240(3) 0.85572(13) 0.0125(6) Uani 1 1 d . . . 
C40 C 0.7270(4) 1.0492(4) 0.9530(2) 0.0150(8) Uani 1 1 d . . . 
H40 H 0.6932 0.9820 0.9874 0.018 Uiso 1 1 calc R . . 
C41 C 0.5892(4) 1.1873(4) 0.9620(2) 0.0193(9) Uani 1 1 d . . . 
H41A H 0.6187 1.2576 0.9294 0.023 Uiso 1 1 calc R . . 
H41B H 0.4980 1.1718 0.9457 0.023 Uiso 1 1 calc R . . 
C42 C 0.5429(5) 1.2434(5) 1.0424(2) 0.0255(10) Uani 1 1 d . . . 
H42A H 0.5038 1.1774 1.0746 0.031 Uiso 1 1 calc R . . 
H42B H 0.4573 1.3342 1.0456 0.031 Uiso 1 1 calc R . . 
C43 C 0.6819(5) 1.2629(5) 1.0705(2) 0.0278(10) Uani 1 1 d . . . 
H43A H 0.6512 1.2929 1.1240 0.033 Uiso 1 1 calc R . . 
H43B H 0.7125 1.3376 1.0423 0.033 Uiso 1 1 calc R . . 
C44 C 0.8222(5) 1.1278(5) 1.0613(2) 0.0237(10) Uani 1 1 d . . . 
H44A H 0.9126 1.1461 1.0768 0.028 Uiso 1 1 calc R . . 
H44B H 0.7960 1.0565 1.0944 0.028 Uiso 1 1 calc R . . 
C45 C 0.8670(4) 1.0716(4) 0.9806(2) 0.0175(9) Uani 1 1 d . . . 
H45A H 0.9541 0.9818 0.9771 0.021 Uiso 1 1 calc R . . 
H45B H 0.9039 1.1386 0.9482 0.021 Uiso 1 1 calc R . . 
C50 C 0.5093(4) 0.7727(4) 0.9626(2) 0.0143(8) Uani 1 1 d . . . 
H50 H 0.5911 0.7816 0.9905 0.017 Uiso 1 1 calc R . . 
C51 C 0.3666(4) 0.9025(4) 0.9863(2) 0.0197(9) Uani 1 1 d . . . 
H51A H 0.2785 0.8971 0.9630 0.024 Uiso 1 1 calc R . . 
H51B H 0.3919 0.9869 0.9681 0.024 Uiso 1 1 calc R . . 
C52 C 0.3166(5) 0.9156(5) 1.0719(2) 0.0269(10) Uani 1 1 d . . . 
H52A H 0.4008 0.9306 1.0950 0.032 Uiso 1 1 calc R . . 
H52B H 0.2212 0.9980 1.0851 0.032 Uiso 1 1 calc R . . 
C53 C 0.2840(5) 0.7860(5) 1.1031(2) 0.0323(11) Uani 1 1 d . . . 
H53A H 0.1906 0.7780 1.0855 0.039 Uiso 1 1 calc R . . 
H53B H 0.2611 0.7944 1.1585 0.039 Uiso 1 1 calc R . . 
C54 C 0.4235(5) 0.6548(5) 1.0786(2) 0.0296(11) Uani 1 1 d . . . 
H54A H 0.3960 0.5715 1.0968 0.036 Uiso 1 1 calc R . . 
H54B H 0.5130 0.6577 1.1016 0.036 Uiso 1 1 calc R . . 
C55 C 0.4730(5) 0.6413(5) 0.9925(2) 0.0222(9) Uani 1 1 d . . . 
H55A H 0.5670 0.5578 0.9790 0.027 Uiso 1 1 calc R . . 
H55B H 0.3876 0.6291 0.9694 0.027 Uiso 1 1 calc R . . 
C60 C 1.0315(4) 0.5646(4) 0.9307(2) 0.0147(8) Uani 1 1 d . . . 
H60 H 1.1442 0.5586 0.9227 0.018 Uiso 1 1 calc R . . 
C61 C 0.9551(5) 0.6400(5) 1.0078(2) 0.0231(9) Uani 1 1 d . . . 
H61A H 0.9624 0.7356 1.0065 0.028 Uiso 1 1 calc R . . 
H61B H 0.8428 0.6484 1.0179 0.028 Uiso 1 1 calc R . . 
C62 C 1.0354(5) 0.5606(5) 1.0705(2) 0.0259(10) Uani 1 1 d . . . 
H62A H 1.1445 0.5617 1.0633 0.031 Uiso 1 1 calc R . . 
H62B H 0.9800 0.6086 1.1191 0.031 Uiso 1 1 calc R . . 
C63 C 1.0368(5) 0.4104(5) 1.0725(2) 0.0253(10) Uani 1 1 d . . . 
H63A H 1.0965 0.3611 1.1113 0.030 Uiso 1 1 calc R . . 
H63B H 0.9280 0.4090 1.0863 0.030 Uiso 1 1 calc R . . 
C64 C 1.1097(5) 0.3345(5) 0.9978(2) 0.0294(11) Uani 1 1 d . . . 
H64A H 1.0999 0.2398 0.9997 0.035 Uiso 1 1 calc R . . 
H64B H 1.2226 0.3241 0.9872 0.035 Uiso 1 1 calc R . . 
C65 C 1.0284(5) 0.4158(4) 0.9345(2) 0.0237(9) Uani 1 1 d . . . 
H65A H 1.0814 0.3661 0.8860 0.028 Uiso 1 1 calc R . . 
H65B H 0.9183 0.4174 0.9426 0.028 Uiso 1 1 calc R . . 
Na1 Na 2.00206(19) 0.3106(2) 0.65943(10) 0.0158(2) Uani 1 1 d . . . 
Na2 Na 0.55832(17) 0.93293(16) 0.72029(8) 0.0271(4) Uani 1 1 d . . . 
Na3 Na 1.04884(15) 0.83307(15) 0.72033(7) 0.0202(3) Uani 1 1 d . . . 
Na4 Na 1.51963(16) 0.65666(15) 0.56542(8) 0.0217(3) Uani 1 1 d . . . 
Na5 Na 1.39591(16) 0.21688(16) 0.62638(8) 0.0170(3) Uani 1 1 d . . . 
Na6 Na 1.60246(16) 0.39508(16) 0.68802(9) 0.0181(3) Uani 1 1 d . . . 
O13 O 1.9616(3) 0.5551(3) 0.64578(14) 0.0157(6) Uani 1 1 d G . . 
H13' H 1.9938 0.5616 0.6920 0.024 Uiso 1 1 d G . . 
H13" H 2.0323 0.5748 0.6062 0.024 Uiso 1 1 d G . . 
O14 O 2.1966(3) 0.3203(3) 0.72626(14) 0.0170(6) Uani 1 1 d G . . 
H14' H 2.1306 0.4093 0.7461 0.025 Uiso 1 1 d G . . 
H14" H 2.2187 0.2573 0.7654 0.025 Uiso 1 1 d G . . 
O15 O 1.7964(3) 0.3455(3) 0.77019(14) 0.0193(6) Uani 1 1 d G . . 
H15' H 1.7763 0.4115 0.8098 0.029 Uiso 1 1 d G . . 
H15" H 1.7944 0.2584 0.7896 0.029 Uiso 1 1 d G . . 
O16 O 2.1999(3) 0.2760(3) 0.54740(15) 0.0225(6) Uani 1 1 d G . . 
H16' H 2.1905 0.2027 0.5192 0.034 Uiso 1 1 d G . . 
H16" H 2.1749 0.3598 0.5208 0.034 Uiso 1 1 d G . . 
O17 O 1.7901(3) 0.7414(3) 0.51063(17) 0.0260(7) Uani 1 1 d G . . 
H17' H 1.7004 0.8125 0.4999 0.039 Uiso 1 1 d G . . 
H17" H 1.8800 0.7687 0.4964 0.039 Uiso 1 1 d G . . 
O18 O 1.7501(3) 0.5072(3) 0.48109(17) 0.0294(7) Uani 1 1 d G . . 
H18' H 1.7932 0.5782 0.4880 0.044 Uiso 1 1 d G . . 
H18" H 1.6480 0.5298 0.5094 0.044 Uiso 1 1 d G . . 
O19 O 1.4670(3) 0.4159(3) 0.57620(15) 0.0210(6) Uani 1 1 d G . . 
H19' H 1.3806 0.4564 0.5516 0.032 Uiso 1 1 d G . . 
H19" H 1.5455 0.3453 0.5451 0.032 Uiso 1 1 d G . . 
O20 O 1.6396(3) 0.6192(3) 0.66830(14) 0.0157(6) Uani 1 1 d G . . 
H20' H 1.5977 0.6531 0.7181 0.024 Uiso 1 1 d G . . 
H20" H 1.7500 0.5944 0.6602 0.024 Uiso 1 1 d G . . 
O21 O 1.2690(3) 0.6958(3) 0.64189(13) 0.0212(6) Uani 1 1 d G . . 
H21' H 1.3024 0.6349 0.6805 0.032 Uiso 1 1 d G . . 
H21" H 1.2219 0.6545 0.6106 0.032 Uiso 1 1 d G . . 
O22 O 1.2050(3) 0.8818(3) 0.80536(16) 0.0226(7) Uani 1 1 d G . . 
H22' H 1.1335 0.8685 0.8466 0.034 Uiso 1 1 d G . . 
H22" H 1.3070 0.8205 0.8075 0.034 Uiso 1 1 d G . . 
O23 O 2.0349(3) 0.0648(3) 0.67353(14) 0.0156(6) Uani 1 1 d G . . 
H23' H 1.9980 0.0499 0.6299 0.023 Uiso 1 1 d G . . 
H23" H 1.9502 0.0957 0.7138 0.023 Uiso 1 1 d G . . 
O24 O 1.8111(3) 0.3063(3) 0.58983(14) 0.0170(6) Uani 1 1 d G . . 
H24' H 1.8310 0.2147 0.5710 0.026 Uiso 1 1 d G . . 
H24" H 1.8143 0.3676 0.5498 0.026 Uiso 1 1 d G . . 
O25 O 0.3729(3) 0.9933(3) 0.64518(14) 0.0176(6) Uani 1 1 d G . . 
H25' H 0.2693 0.9932 0.6612 0.026 Uiso 1 1 d G . . 
H25" H 0.4174 0.9390 0.6003 0.026 Uiso 1 1 d G . . 
O26 O 0.8253(3) 0.8668(3) 0.65290(13) 0.0223(6) Uani 1 1 d G . . 
H26' H 0.8391 0.9299 0.6152 0.033 Uiso 1 1 d G . . 
H26" H 0.8276 0.7821 0.6310 0.033 Uiso 1 1 d G . . 
O27 O 1.6021(3) 0.1196(3) 0.52715(15) 0.0229(7) Uani 1 1 d G . . 
H27' H 1.5679 0.0423 0.5216 0.034 Uiso 1 1 d G . . 
H27" H 1.7117 0.0887 0.5259 0.034 Uiso 1 1 d G . . 
O28 O 1.5618(3) 0.1777(3) 0.72632(16) 0.0291(7) Uani 1 1 d G . . 
H28' H 1.6192 0.1433 0.6784 0.044 Uiso 1 1 d G . . 
H28" H 1.6292 0.1564 0.7622 0.044 Uiso 1 1 d G . . 
O29 O 1.3828(3) 0.5262(3) 0.76924(17) 0.0271(7) Uani 1 1 d G . . 
H29' H 1.4093 0.5876 0.7989 0.041 Uiso 1 1 d G . . 
H29" H 1.2729 0.5546 0.7719 0.041 Uiso 1 1 d G . . 
O30 O 0.2882(4) 1.1090(3) 0.82297(17) 0.0358(8) Uani 1 1 d G . . 
H30" H 0.3015 1.1163 0.8731 0.054 Uiso 1 1 d G . . 
H30' H 0.2716 1.0235 0.8145 0.054 Uiso 1 1 d G . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Si1 O1 1.590(3) . ? 
Si1 O6 1.649(3) . ? 
Si1 O2 1.656(2) . ? 
Si1 C10 1.870(4) . ? 
Si2 O3 1.590(3) . ? 
Si2 O2 1.646(3) . ? 
Si2 O4 1.664(3) . ? 
Si2 C20 1.868(4) . ? 
Si2 Na4 3.0393(17) . ? 
Si3 O5 1.590(3) . ? 
Si3 O6 1.655(3) . ? 
Si3 O4 1.657(2) . ? 
Si3 C30 1.861(4) . ? 
O3 Na4 2.546(3) . ? 
O4 Na4 2.372(3) . ? 
C10 C11 1.511(5) . ? 
C10 C15 1.550(6) . ? 
C11 C12 1.528(6) . ? 
C12 C13 1.514(6) . ? 
C13 C14 1.524(6) . ? 
C14 C15 1.505(6) . ? 
C20 C21 1.523(5) . ? 
C20 C25 1.533(5) . ? 
C21 C22 1.518(5) . ? 
C22 C23 1.517(6) . ? 
C23 C24 1.530(6) . ? 
C24 C25 1.531(6) . ? 
C30 C31 1.534(5) . ? 
C30 C35 1.534(5) . ? 
C31 C32 1.532(5) . ? 
C32 C33 1.520(6) . ? 
C33 C34 1.532(6) . ? 
C34 C35 1.533(5) . ? 
Si4 O7 1.588(3) . ? 
Si4 O12 1.653(3) . ? 
Si4 O8 1.658(2) . ? 
Si4 C40 1.859(4) . ? 
Si4 Na3 3.1874(16) . ? 
Si4 Na2 3.5206(16) . ? 
Si5 O9 1.586(3) . ? 
Si5 O10 1.654(3) . ? 
Si5 O8 1.658(3) . ? 
Si5 C50 1.856(4) . ? 
Si5 Na2 3.0756(16) . ? 
Si6 O11 1.599(3) . ? 
Si6 O10 1.645(2) . ? 
Si6 O12 1.668(3) . ? 
Si6 C60 1.859(4) . ? 
Si6 Na3 3.1118(16) . ? 
O7 Na3 2.850(3) . ? 
O8 Na2 2.424(3) . ? 
O9 Na2 2.605(3) . ? 
O11 Na3 2.554(3) . ? 
O12 Na3 2.536(3) . ? 
C40 C45 1.537(5) . ? 
C40 C41 1.537(5) . ? 
C41 C42 1.518(5) . ? 
C42 C43 1.519(6) . ? 
C43 C44 1.530(6) . ? 
C44 C45 1.523(5) . ? 
C50 C51 1.529(5) . ? 
C50 C55 1.537(5) . ? 
C51 C52 1.539(5) . ? 
C52 C53 1.512(6) . ? 
C53 C54 1.524(6) . ? 
C54 C55 1.546(5) . ? 
C60 C65 1.514(6) . ? 
C60 C61 1.548(5) . ? 
C61 C62 1.528(5) . ? 
C62 C63 1.514(6) . ? 
C63 C64 1.511(6) . ? 
C64 C65 1.547(5) . ? 
Na1 O24 2.336(3) . ? 
Na1 O14 2.347(3) . ? 
Na1 O13 2.391(3) . ? 
Na1 O23 2.417(3) . ? 
Na1 O16 2.431(3) . ? 
Na1 O15 2.455(3) . ? 
Na1 Na5 3.368(2) 1_655 ? 
Na1 Na6 3.427(2) . ? 
Na2 O25 2.276(3) . ? 
Na2 O26 2.426(3) . ? 
Na2 O28 2.491(3) 1_465 ? 
Na2 O30 2.915(4) . ? 
Na2 Na5 3.346(2) 1_465 ? 
Na2 Na4 4.146(2) 1_455 ? 
Na3 O21 2.306(3) . ? 
Na3 O22 2.431(3) . ? 
Na3 O23 2.444(3) 1_465 ? 
Na3 O26 2.486(3) . ? 
Na4 O20 2.285(3) . ? 
Na4 O21 2.389(3) . ? 
Na4 O18 2.454(3) . ? 
Na4 O19 2.629(3) . ? 
Na4 O17 2.893(3) . ? 
Na4 Na6 3.390(2) . ? 
Na4 Na2 4.146(2) 1_655 ? 
Na5 O14 2.332(3) 1_455 ? 
Na5 O27 2.345(3) . ? 
Na5 O25 2.350(3) 1_645 ? 
Na5 O16 2.401(3) 1_455 ? 
Na5 O19 2.422(3) . ? 
Na5 O28 2.502(3) . ? 
Na5 Na6 3.3343(15) . ? 
Na5 Na2 3.346(2) 1_645 ? 
Na5 Na1 3.368(2) 1_455 ? 
Na6 O29 2.309(3) . ? 
Na6 O24 2.332(3) . ? 
Na6 O20 2.409(3) . ? 
Na6 O28 2.414(3) . ? 
Na6 O15 2.431(3) . ? 
Na6 O19 2.522(3) . ? 
O14 Na5 2.332(3) 1_655 ? 
O16 Na5 2.401(3) 1_655 ? 
O23 Na3 2.444(3) 1_645 ? 
O25 Na5 2.350(3) 1_465 ? 
O28 Na2 2.491(3) 1_645 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O1 Si1 O6 109.70(13) . . ? 
O1 Si1 O2 112.93(13) . . ? 
O6 Si1 O2 106.28(14) . . ? 
O1 Si1 C10 111.20(15) . . ? 
O6 Si1 C10 108.36(15) . . ? 
O2 Si1 C10 108.17(15) . . ? 
O3 Si2 O2 111.99(15) . . ? 
O3 Si2 O4 107.77(14) . . ? 
O2 Si2 O4 105.91(13) . . ? 
O3 Si2 C20 115.37(15) . . ? 
O2 Si2 C20 109.43(16) . . ? 
O4 Si2 C20 105.74(15) . . ? 
O3 Si2 Na4 56.87(11) . . ? 
O2 Si2 Na4 123.30(10) . . ? 
O4 Si2 Na4 50.90(9) . . ? 
C20 Si2 Na4 125.80(13) . . ? 
O5 Si3 O6 113.21(13) . . ? 
O5 Si3 O4 109.21(13) . . ? 
O6 Si3 O4 104.12(13) . . ? 
O5 Si3 C30 115.00(15) . . ? 
O6 Si3 C30 107.15(15) . . ? 
O4 Si3 C30 107.46(15) . . ? 
Si2 O2 Si1 131.47(17) . . ? 
Si2 O3 Na4 91.61(12) . . ? 
Si3 O4 Si2 131.54(17) . . ? 
Si3 O4 Na4 125.21(13) . . ? 
Si2 O4 Na4 96.13(12) . . ? 
Si1 O6 Si3 135.03(15) . . ? 
C11 C10 C15 109.4(3) . . ? 
C11 C10 Si1 117.4(3) . . ? 
C15 C10 Si1 110.2(3) . . ? 
C10 C11 C12 111.9(4) . . ? 
C13 C12 C11 111.5(3) . . ? 
C12 C13 C14 110.7(3) . . ? 
C15 C14 C13 111.7(4) . . ? 
C14 C15 C10 111.2(4) . . ? 
C21 C20 C25 109.8(3) . . ? 
C21 C20 Si2 116.7(3) . . ? 
C25 C20 Si2 112.8(3) . . ? 
C22 C21 C20 111.4(3) . . ? 
C21 C22 C23 111.5(4) . . ? 
C22 C23 C24 112.5(3) . . ? 
C23 C24 C25 110.3(4) . . ? 
C24 C25 C20 111.5(3) . . ? 
C31 C30 C35 109.3(3) . . ? 
C31 C30 Si3 115.1(3) . . ? 
C35 C30 Si3 112.7(3) . . ? 
C32 C31 C30 110.6(3) . . ? 
C33 C32 C31 111.5(4) . . ? 
C32 C33 C34 111.7(4) . . ? 
C33 C34 C35 111.0(3) . . ? 
C34 C35 C30 111.4(3) . . ? 
O7 Si4 O12 112.07(13) . . ? 
O7 Si4 O8 110.65(13) . . ? 
O12 Si4 O8 103.62(13) . . ? 
O7 Si4 C40 114.03(16) . . ? 
O12 Si4 C40 107.31(16) . . ? 
O8 Si4 C40 108.57(14) . . ? 
O7 Si4 Na3 63.22(10) . . ? 
O12 Si4 Na3 52.19(9) . . ? 
O8 Si4 Na3 104.36(10) . . ? 
C40 Si4 Na3 144.93(12) . . ? 
O7 Si4 Na2 74.78(10) . . ? 
O12 Si4 Na2 108.46(10) . . ? 
O8 Si4 Na2 37.46(9) . . ? 
C40 Si4 Na2 135.72(12) . . ? 
Na3 Si4 Na2 78.97(4) . . ? 
O9 Si5 O10 110.99(14) . . ? 
O9 Si5 O8 107.76(14) . . ? 
O10 Si5 O8 105.63(13) . . ? 
O9 Si5 C50 117.00(15) . . ? 
O10 Si5 C50 108.45(16) . . ? 
O8 Si5 C50 106.32(15) . . ? 
O9 Si5 Na2 57.89(10) . . ? 
O10 Si5 Na2 110.22(10) . . ? 
O8 Si5 Na2 51.62(9) . . ? 
C50 Si5 Na2 139.56(14) . . ? 
O11 Si6 O10 112.60(13) . . ? 
O11 Si6 O12 108.08(13) . . ? 
O10 Si6 O12 106.60(13) . . ? 
O11 Si6 C60 111.31(16) . . ? 
O10 Si6 C60 108.81(15) . . ? 
O12 Si6 C60 109.30(16) . . ? 
O11 Si6 Na3 54.94(10) . . ? 
O10 Si6 Na3 114.56(10) . . ? 
O12 Si6 Na3 54.46(9) . . ? 
C60 Si6 Na3 136.44(12) . . ? 
Si4 O7 Na3 86.95(12) . . ? 
Si5 O8 Si4 131.71(16) . . ? 
Si5 O8 Na2 95.95(12) . . ? 
Si4 O8 Na2 117.96(13) . . ? 
Si5 O9 Na2 91.08(12) . . ? 
Si6 O10 Si5 131.45(17) . . ? 
Si6 O11 Na3 94.24(13) . . ? 
Si4 O12 Si6 134.44(15) . . ? 
Si4 O12 Na3 96.81(12) . . ? 
Si6 O12 Na3 93.18(11) . . ? 
C45 C40 C41 109.4(3) . . ? 
C45 C40 Si4 114.1(2) . . ? 
C41 C40 Si4 113.0(3) . . ? 
C42 C41 C40 111.9(3) . . ? 
C41 C42 C43 110.7(3) . . ? 
C42 C43 C44 111.6(4) . . ? 
C45 C44 C43 111.4(3) . . ? 
C44 C45 C40 111.1(3) . . ? 
C51 C50 C55 109.8(3) . . ? 
C51 C50 Si5 115.1(3) . . ? 
C55 C50 Si5 115.2(3) . . ? 
C50 C51 C52 111.5(3) . . ? 
C53 C52 C51 111.5(4) . . ? 
C52 C53 C54 111.1(3) . . ? 
C53 C54 C55 112.0(4) . . ? 
C50 C55 C54 110.2(3) . . ? 
C65 C60 C61 109.0(3) . . ? 
C65 C60 Si6 111.3(3) . . ? 
C61 C60 Si6 115.9(3) . . ? 
C62 C61 C60 111.3(3) . . ? 
C63 C62 C61 112.0(3) . . ? 
C64 C63 C62 111.6(3) . . ? 
C63 C64 C65 110.8(4) . . ? 
C60 C65 C64 112.5(3) . . ? 
O24 Na1 O14 177.96(15) . . ? 
O24 Na1 O13 94.87(11) . . ? 
O14 Na1 O13 83.58(10) . . ? 
O24 Na1 O23 83.82(10) . . ? 
O14 Na1 O23 97.76(11) . . ? 
O13 Na1 O23 178.34(12) . . ? 
O24 Na1 O16 91.91(11) . . ? 
O14 Na1 O16 86.67(10) . . ? 
O13 Na1 O16 86.07(11) . . ? 
O23 Na1 O16 94.98(12) . . ? 
O24 Na1 O15 86.36(10) . . ? 
O14 Na1 O15 95.06(11) . . ? 
O13 Na1 O15 94.02(11) . . ? 
O23 Na1 O15 84.89(10) . . ? 
O16 Na1 O15 178.27(13) . . ? 
O24 Na1 Na5 135.27(9) . 1_655 ? 
O14 Na1 Na5 43.77(7) . 1_655 ? 
O13 Na1 Na5 94.68(8) . 1_655 ? 
O23 Na1 Na5 86.97(8) . 1_655 ? 
O16 Na1 Na5 45.44(8) . 1_655 ? 
O15 Na1 Na5 136.23(9) . 1_655 ? 
O24 Na1 Na6 42.73(7) . . ? 
O14 Na1 Na6 138.28(10) . . ? 
O13 Na1 Na6 86.94(8) . . ? 
O23 Na1 Na6 91.41(8) . . ? 
O16 Na1 Na6 133.12(9) . . ? 
O15 Na1 Na6 45.19(7) . . ? 
Na5 Na1 Na6 177.64(7) 1_655 . ? 
O25 Na2 O8 150.58(11) . . ? 
O25 Na2 O26 114.05(10) . . ? 
O8 Na2 O26 95.19(9) . . ? 
O25 Na2 O28 91.77(11) . 1_465 ? 
O8 Na2 O28 85.88(10) . 1_465 ? 
O26 Na2 O28 87.95(10) . 1_465 ? 
O25 Na2 O9 105.50(10) . . ? 
O8 Na2 O9 62.69(9) . . ? 
O26 Na2 O9 113.50(10) . . ? 
O28 Na2 O9 142.40(11) 1_465 . ? 
O25 Na2 O30 78.87(10) . . ? 
O8 Na2 O30 72.96(9) . . ? 
O26 Na2 O30 154.14(10) . . ? 
O28 Na2 O30 68.70(10) 1_465 . ? 
O9 Na2 O30 81.98(9) . . ? 
O25 Na2 Si5 134.34(8) . . ? 
O8 Na2 Si5 32.43(6) . . ? 
O26 Na2 Si5 101.90(8) . . ? 
O28 Na2 Si5 117.60(8) 1_465 . ? 
O9 Na2 Si5 31.03(6) . . ? 
O30 Na2 Si5 80.59(7) . . ? 
O25 Na2 Na5 44.56(8) . 1_465 ? 
O8 Na2 Na5 130.50(9) . 1_465 ? 
O26 Na2 Na5 99.37(8) . 1_465 ? 
O28 Na2 Na5 48.05(7) 1_465 1_465 ? 
O9 Na2 Na5 144.02(8) . 1_465 ? 
O30 Na2 Na5 73.63(7) . 1_465 ? 
Si5 Na2 Na5 153.81(7) . 1_465 ? 
O25 Na2 Si4 158.90(10) . . ? 
O8 Na2 Si4 24.58(6) . . ? 
O26 Na2 Si4 76.49(7) . . ? 
O28 Na2 Si4 69.70(7) 1_465 . ? 
O9 Na2 Si4 85.14(7) . . ? 
O30 Na2 Si4 84.79(7) . . ? 
Si5 Na2 Si4 54.11(3) . . ? 
Na5 Na2 Si4 117.74(5) 1_465 . ? 
O25 Na2 Na4 57.00(8) . 1_455 ? 
O8 Na2 Na4 134.91(8) . 1_455 ? 
O26 Na2 Na4 82.43(7) . 1_455 ? 
O28 Na2 Na4 138.62(8) 1_465 1_455 ? 
O9 Na2 Na4 77.01(7) . 1_455 ? 
O30 Na2 Na4 122.35(7) . 1_455 ? 
Si5 Na2 Na4 103.77(4) . 1_455 ? 
Na5 Na2 Na4 93.97(4) 1_465 1_455 ? 
Si4 Na2 Na4 144.10(5) . 1_455 ? 
O21 Na3 O22 92.08(10) . . ? 
O21 Na3 O23 100.41(10) . 1_465 ? 
O22 Na3 O23 84.46(10) . 1_465 ? 
O21 Na3 O26 106.30(10) . . ? 
O22 Na3 O26 159.21(11) . . ? 
O23 Na3 O26 82.75(9) 1_465 . ? 
O21 Na3 O12 135.39(10) . . ? 
O22 Na3 O12 68.82(9) . . ? 
O23 Na3 O12 116.44(10) 1_465 . ? 
O26 Na3 O12 102.64(9) . . ? 
O21 Na3 O11 80.03(9) . . ? 
O22 Na3 O11 94.25(10) . . ? 
O23 Na3 O11 178.64(11) 1_465 . ? 
O26 Na3 O11 98.37(9) . . ? 
O12 Na3 O11 62.61(9) . . ? 
O21 Na3 O7 161.84(9) . . ? 
O22 Na3 O7 84.74(9) . . ? 
O23 Na3 O7 61.52(8) 1_465 . ? 
O26 Na3 O7 74.76(8) . . ? 
O12 Na3 O7 59.56(8) . . ? 
O11 Na3 O7 117.99(9) . . ? 
O21 Na3 Si6 109.60(8) . . ? 
O22 Na3 Si6 84.73(8) . . ? 
O23 Na3 Si6 148.37(8) 1_465 . ? 
O26 Na3 Si6 97.77(7) . . ? 
O12 Na3 Si6 32.36(6) . . ? 
O11 Na3 Si6 30.82(6) . . ? 
O7 Na3 Si6 87.95(6) . . ? 
O21 Na3 Si4 166.39(9) . . ? 
O22 Na3 Si4 81.30(8) . . ? 
O23 Na3 Si4 90.82(7) 1_465 . ? 
O26 Na3 Si4 82.56(7) . . ? 
O12 Na3 Si4 31.00(6) . . ? 
O11 Na3 Si4 88.57(7) . . ? 
O7 Na3 Si4 29.83(5) . . ? 
Si6 Na3 Si4 58.17(3) . . ? 
O20 Na4 O4 172.08(11) . . ? 
O20 Na4 O21 91.30(10) . . ? 
O4 Na4 O21 81.67(9) . . ? 
O20 Na4 O18 94.44(11) . . ? 
O4 Na4 O18 93.48(11) . . ? 
O21 Na4 O18 151.26(11) . . ? 
O20 Na4 O3 114.15(10) . . ? 
O4 Na4 O3 64.50(9) . . ? 
O21 Na4 O3 103.75(10) . . ? 
O18 Na4 O3 99.49(10) . . ? 
O20 Na4 O19 92.71(10) . . ? 
O4 Na4 O19 88.64(10) . . ? 
O21 Na4 O19 72.38(9) . . ? 
O18 Na4 O19 79.23(10) . . ? 
O3 Na4 O19 153.07(10) . . ? 
O20 Na4 O17 79.60(9) . . ? 
O4 Na4 O17 104.89(9) . . ? 
O21 Na4 O17 151.27(11) . . ? 
O18 Na4 O17 57.33(10) . . ? 
O3 Na4 O17 57.33(8) . . ? 
O19 Na4 O17 134.70(10) . . ? 
O20 Na4 Si2 145.15(9) . . ? 
O4 Na4 Si2 32.98(6) . . ? 
O21 Na4 Si2 93.49(7) . . ? 
O18 Na4 Si2 97.64(9) . . ? 
O3 Na4 Si2 31.52(6) . . ? 
O19 Na4 Si2 121.59(8) . . ? 
O17 Na4 Si2 79.77(7) . . ? 
O20 Na4 Na6 45.22(8) . . ? 
O4 Na4 Na6 135.56(8) . . ? 
O21 Na4 Na6 78.51(7) . . ? 
O18 Na4 Na6 85.70(8) . . ? 
O3 Na4 Na6 159.32(8) . . ? 
O19 Na4 Na6 47.49(7) . . ? 
O17 Na4 Na6 111.54(7) . . ? 
Si2 Na4 Na6 167.93(5) . . ? 
O20 Na4 Na2 48.60(8) . 1_655 ? 
O4 Na4 Na2 126.23(8) . 1_655 ? 
O21 Na4 Na2 82.70(7) . 1_655 ? 
O18 Na4 Na2 121.53(9) . 1_655 ? 
O3 Na4 Na2 70.04(7) . 1_655 ? 
O19 Na4 Na2 133.62(7) . 1_655 ? 
O17 Na4 Na2 70.79(7) . 1_655 ? 
Si2 Na4 Na2 97.89(4) . 1_655 ? 
Na6 Na4 Na2 90.11(4) . 1_655 ? 
O14 Na5 O27 177.47(12) 1_455 . ? 
O14 Na5 O25 93.69(11) 1_455 1_645 ? 
O27 Na5 O25 88.38(11) . 1_645 ? 
O14 Na5 O16 87.72(10) 1_455 1_455 ? 
O27 Na5 O16 93.69(11) . 1_455 ? 
O25 Na5 O16 91.52(11) 1_645 1_455 ? 
O14 Na5 O19 101.84(11) 1_455 . ? 
O27 Na5 O19 76.15(10) . . ? 
O25 Na5 O19 164.29(12) 1_645 . ? 
O16 Na5 O19 86.81(10) 1_455 . ? 
O14 Na5 O28 82.29(10) 1_455 . ? 
O27 Na5 O28 96.28(11) . . ? 
O25 Na5 O28 89.79(10) 1_645 . ? 
O16 Na5 O28 169.98(12) 1_455 . ? 
O19 Na5 O28 94.56(11) . . ? 
O14 Na5 Na6 87.25(8) 1_455 . ? 
O27 Na5 Na6 90.26(8) . . ? 
O25 Na5 Na6 135.49(8) 1_645 . ? 
O16 Na5 Na6 132.94(9) 1_455 . ? 
O19 Na5 Na6 48.87(7) . . ? 
O28 Na5 Na6 46.19(8) . . ? 
O14 Na5 Na2 94.23(9) 1_455 1_645 ? 
O27 Na5 Na2 86.31(8) . 1_645 ? 
O25 Na5 Na2 42.81(7) 1_645 1_645 ? 
O16 Na5 Na2 134.33(9) 1_455 1_645 ? 
O19 Na5 Na2 136.60(8) . 1_645 ? 
O28 Na5 Na2 47.78(8) . 1_645 ? 
Na6 Na5 Na2 92.71(4) . 1_645 ? 
O14 Na5 Na1 44.14(8) 1_455 1_455 ? 
O27 Na5 Na1 137.81(9) . 1_455 ? 
O25 Na5 Na1 81.59(8) 1_645 1_455 ? 
O16 Na5 Na1 46.18(8) 1_455 1_455 ? 
O19 Na5 Na1 107.99(8) . 1_455 ? 
O28 Na5 Na1 124.36(9) . 1_455 ? 
Na6 Na5 Na1 124.88(5) . 1_455 ? 
Na2 Na5 Na1 111.49(5) 1_645 1_455 ? 
O29 Na6 O24 167.29(13) . . ? 
O29 Na6 O20 82.43(11) . . ? 
O24 Na6 O20 87.41(10) . . ? 
O29 Na6 O28 92.57(11) . . ? 
O24 Na6 O28 98.34(11) . . ? 
O20 Na6 O28 171.94(12) . . ? 
O29 Na6 O15 100.10(11) . . ? 
O24 Na6 O15 87.00(10) . . ? 
O20 Na6 O15 87.48(10) . . ? 
O28 Na6 O15 87.18(10) . . ? 
O29 Na6 O19 95.53(11) . . ? 
O24 Na6 O19 77.25(10) . . ? 
O20 Na6 O19 92.54(10) . . ? 
O28 Na6 O19 94.24(11) . . ? 
O15 Na6 O19 164.24(11) . . ? 
O29 Na6 Na5 90.43(8) . . ? 
O24 Na6 Na5 91.94(8) . . ? 
O20 Na6 Na5 137.51(8) . . ? 
O28 Na6 Na5 48.40(7) . . ? 
O15 Na6 Na5 134.95(9) . . ? 
O19 Na6 Na5 46.34(7) . . ? 
O29 Na6 Na4 87.87(9) . . ? 
O24 Na6 Na4 79.47(8) . . ? 
O20 Na6 Na4 42.33(7) . . ? 
O28 Na6 Na4 144.22(9) . . ? 
O15 Na6 Na4 127.96(8) . . ? 
O19 Na6 Na4 50.21(7) . . ? 
Na5 Na6 Na4 95.83(4) . . ? 
O29 Na6 Na1 140.22(9) . . ? 
O24 Na6 Na1 42.82(7) . . ? 
O20 Na6 Na1 77.20(8) . . ? 
O28 Na6 Na1 103.18(9) . . ? 
O15 Na6 Na1 45.75(7) . . ? 
O19 Na6 Na1 118.97(9) . . ? 
Na5 Na6 Na1 127.22(5) . . ? 
Na4 Na6 Na1 99.02(5) . . ? 
Na5 O14 Na1 92.09(11) 1_655 . ? 
Na6 O15 Na1 89.06(10) . . ? 
Na5 O16 Na1 88.38(11) 1_655 . ? 
Na5 O19 Na6 84.79(10) . . ? 
Na5 O19 Na4 162.31(13) . . ? 
Na6 O19 Na4 82.30(9) . . ? 
Na4 O20 Na6 92.44(10) . . ? 
Na3 O21 Na4 152.55(12) . . ? 
Na1 O23 Na3 165.93(13) . 1_645 ? 
Na6 O24 Na1 94.46(11) . . ? 
Na2 O25 Na5 92.64(10) . 1_465 ? 
Na2 O26 Na3 120.91(10) . . ? 
Na6 O28 Na2 160.50(15) . 1_645 ? 
Na6 O28 Na5 85.40(10) . . ? 
Na2 O28 Na5 84.17(10) 1_645 . ? 
 
loop_ 
 _geom_hbond_atom_site_label_D 
 _geom_hbond_atom_site_label_H 
 _geom_hbond_atom_site_label_A 
 _geom_hbond_distance_DH 
 _geom_hbond_distance_HA 
 _geom_hbond_distance_DA 
 _geom_hbond_angle_DHA 
 _geom_hbond_site_symmetry_A 
O13 H13' O11  0.94 1.76 2.703(3) 171.5 1_655 
O13 H13" O5  0.95 1.84 2.757(3) 163.1 1_655 
O14 H14' O11  0.94 1.80 2.707(4) 160.3 1_655 
O14 H14" O30  0.95 1.81 2.738(4) 166.8 1_745 
O15 H15' O10  0.94 2.45 3.295(4) 148.5 1_655 
O15 H15" O7  0.95 1.87 2.775(4) 160.2 1_645 
O16 H16' O2  0.94 2.33 3.257(4) 165.4 1_645 
O16 H16" O5  0.95 2.08 2.844(4) 136.6 1_655 
O17 H17' O3  0.94 1.75 2.627(4) 153.0 . 
O17 H17" O6  0.95 1.82 2.760(3) 174.0 1_655 
O18 H18' O17  0.94 1.70 2.594(4) 156.2 . 
O18 H18" O19  0.95 2.46 3.244(4) 140.5 . 
O19 H19' O5  0.94 1.76 2.684(4) 164.3 . 
O19 H19" O27  0.95 2.19 2.941(4) 135.6 . 
O20 H20' O9  0.94 1.73 2.672(3) 171.1 1_655 
O20 H20" O13  0.95 1.82 2.766(3) 177.2 . 
O21 H21' O29  0.94 2.03 2.970(4) 171.9 . 
O21 H21" O5  0.95 1.88 2.785(3) 160.4 . 
O22 H22' O12  0.94 2.08 2.809(3) 133.2 . 
O23 H23' O1  0.94 1.79 2.728(3) 175.4 1_645 
O23 H23" O7  0.95 1.85 2.730(3) 154.2 1_645 
O24 H24' O1  0.94 1.75 2.665(4) 162.3 1_645 
O24 H24" O18  0.95 1.88 2.787(4) 161.3 . 
O25 H25' O23  0.94 2.00 2.898(3) 157.0 1_365 
O25 H25" O3  0.95 1.75 2.659(4) 161.4 1_455 
O26 H26' O1  0.94 1.84 2.761(3) 164.3 . 
O26 H26" O13  0.95 2.26 2.986(4) 133.3 1_455 
O26 H26" O17  0.95 2.33 3.013(4) 128.4 1_455 
O27 H27' O3  0.94 1.87 2.819(4) 177.5 1_545 
O27 H27" O1  0.95 1.92 2.849(3) 166.9 1_645 
O28 H28" O7  0.95 1.75 2.628(4) 153.6 1_645 
O29 H29' O9  0.94 1.95 2.797(4) 148.3 1_655 
O29 H29" O11  0.95 1.81 2.755(3) 174.1 . 
O30 H30' O22  0.95 1.75 2.687(4) 169.5 1_455 
 
_diffrn_measured_fraction_theta_max    0.958 
_diffrn_reflns_theta_full              26.00 
_diffrn_measured_fraction_theta_full   0.958 
_refine_diff_density_max    0.324 
_refine_diff_density_min   -0.337 
_refine_diff_density_rms    0.056 
