 
data_2009src1289
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C4 H9 Nd2 O13 P2, H2 O'
_chemical_formula_sum
 'C4 H11 Nd2 O14 P2'
_chemical_formula_weight          633.55
 
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'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Nd'  'Nd'  -0.1943   3.0179
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting          triclinic  
_symmetry_space_group_name_H-M  P-1
_symmetry_space_group_name_hall '-P 1'  
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    8.9198(3)
_cell_length_b                    8.9196(2)
_cell_length_c                    9.7074(3)
_cell_angle_alpha                 107.751(2)
_cell_angle_beta                  110.1650(10)
_cell_angle_gamma                 91.715(2)
_cell_volume                      682.55(3)
_cell_formula_units_Z             2
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     10388
_cell_measurement_theta_min       10.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        plate
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.06
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.01
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     3.088
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              594
_exptl_absorpt_coefficient_mu     7.832
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.6508
_exptl_absorpt_correction_T_max   0.9258
_exptl_absorpt_process_details    'SADABS 2007/2 (Sheldrick, G.M., 2007)' 
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(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             11744
_diffrn_reflns_av_R_equivalents   0.0332
_diffrn_reflns_av_sigmaI/netI     0.0336
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        10
_diffrn_reflns_limit_l_min        -12
_diffrn_reflns_limit_l_max        12
_diffrn_reflns_theta_min          3.18
_diffrn_reflns_theta_max          27.48
_reflns_number_total              3118
_reflns_number_gt                 2916
_reflns_threshold_expression      >2σ(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     'PLATON (Watkin, Pearce 1995)'
_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 > 2σ(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)+(0.0000P)²+2.6088P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          3118
_refine_ls_number_parameters      227
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0237
_refine_ls_R_factor_gt            0.0214
_refine_ls_wR_factor_ref          0.0486
_refine_ls_wR_factor_gt           0.0470
_refine_ls_goodness_of_fit_ref    1.089
_refine_ls_restrained_S_all       1.089
_refine_ls_shift/su_max           0.003
_refine_ls_shift/su_mean          0.000
 
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
Nd1 Nd 0.86929(2) 0.36459(2) 0.57787(2) 0.00525(6) Uani 1 1 d . . .
Nd2 Nd 1.06825(2) 0.21039(2) 0.97606(2) 0.00578(6) Uani 1 1 d . . .
P1 P 1.20384(11) 0.52973(11) 0.95887(10) 0.00587(18) Uani 1 1 d . . .
P2 P 1.07619(11) 0.19212(10) 1.31039(10) 0.00592(18) Uani 1 1 d . . .
C4 C 1.2358(4) -0.0373(4) 1.4228(4) 0.0074(7) Uani 1 1 d . . .
O1 O 1.0425(3) 0.4246(3) 0.8471(3) 0.0081(5) Uani 1 1 d . . .
O3 O 1.2751(3) 0.4508(3) 1.0812(3) 0.0074(5) Uani 1 1 d . . .
O6 O 1.0143(3) 0.0711(3) 1.1435(3) 0.0070(5) Uani 1 1 d . . .
O7 O 1.1231(3) 0.3508(3) 1.2953(3) 0.0086(5) Uani 1 1 d . . .
O2 O 1.1852(3) 0.7026(3) 1.0232(3) 0.0093(5) Uani 1 1 d . . .
O4 O 1.1368(3) 0.4901(3) 0.6120(3) 0.0084(5) Uani 1 1 d . . .
O8 O 0.9552(3) 0.1891(3) 1.3890(3) 0.0088(5) Uani 1 1 d . . .
O1W O 1.2106(4) 0.1269(3) 0.7898(3) 0.0123(6) Uani 1 1 d . . .
O2W O 1.3423(4) 0.1582(4) 1.1192(3) 0.0141(6) Uani 1 1 d . . .
C3 C 1.2571(4) 0.1315(4) 1.4232(4) 0.0087(7) Uani 1 1 d . . .
H3A H 1.3423 0.1434 1.3820 0.010 Uiso 1 1 calc R . .
H3B H 1.2955 0.2046 1.5324 0.010 Uiso 1 1 calc R . .
C1 C 1.3413(4) 0.5209(4) 0.8577(4) 0.0088(7) Uani 1 1 d . . .
H1A H 1.4414 0.5961 0.9288 0.011 Uiso 1 1 calc R . .
H1B H 1.3707 0.4124 0.8326 0.011 Uiso 1 1 calc R . .
C2 C 1.2766(4) 0.5596(4) 0.7107(4) 0.0057(7) Uani 1 1 d . . .
O5 O 1.3595(3) 0.6529(3) 0.6813(3) 0.0110(5) Uani 1 1 d . . .
O9 O 1.1240(3) -0.1410(3) 1.3087(3) 0.0110(5) Uani 1 1 d . . .
O10 O 1.3254(3) -0.0776(3) 1.5322(3) 0.0145(6) Uani 1 1 d . . .
O3W O 1.5287(4) 0.1016(4) 0.8251(4) 0.0168(6) Uani 1 1 d . . .
O4W O 0.6072(3) 0.4004(3) 0.6163(4) 0.0158(6) Uani 1 1 d . . .
H3W H 1.424(7) 0.229(6) 1.166(6) 0.026(14) Uiso 1 1 d . . .
H1W H 1.309(8) 0.126(7) 0.826(7) 0.040(17) Uiso 1 1 d . . .
H4W H 1.371(6) 0.083(7) 1.107(6) 0.023(15) Uiso 1 1 d . . .
H2W H 1.174(6) 0.042(7) 0.729(6) 0.027(15) Uiso 1 1 d . . .
H5W H 1.490(7) 0.081(7) 0.733(8) 0.044(18) Uiso 1 1 d . . .
H6W H 1.621(7) 0.163(7) 0.854(7) 0.039(16) Uiso 1 1 d . . .
H7W H 0.626(6) 0.436(5) 0.697(6) 0.014(13) Uiso 1 1 d . . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Nd1 O8 2.385(2) 1_554 ?
Nd1 O1 2.412(2) . ?
Nd1 O7 2.447(2) 2_767 ?
Nd1 O4 2.475(2) . ?
Nd1 O4W 2.506(3) . ?
Nd1 O4 2.544(2) 2_766 ?
Nd1 O9 2.548(2) 2_757 ?
Nd1 O5 2.592(3) 2_766 ?
Nd1 O10 2.738(3) 2_757 ?
Nd1 C2 2.948(3) 2_766 ?
Nd1 C4 3.037(3) 2_757 ?
Nd2 O6 2.391(2) 2_757 ?
Nd2 O2 2.413(3) 2_767 ?
Nd2 O6 2.481(2) . ?
Nd2 O3 2.485(2) . ?
Nd2 O2W 2.499(3) . ?
Nd2 O1W 2.501(3) . ?
Nd2 O1 2.561(2) . ?
Nd2 O9 2.567(2) 2_757 ?
Nd2 O7 2.822(2) . ?
Nd2 P1 3.1348(9) . ?
Nd2 P2 3.2756(9) . ?
P1 O2 1.515(3) . ?
P1 O3 1.525(2) . ?
P1 O1 1.533(3) . ?
P1 C1 1.806(4) . ?
P2 O8 1.525(3) . ?
P2 O7 1.528(3) . ?
P2 O6 1.541(3) . ?
P2 C3 1.814(4) . ?
C4 O10 1.249(4) . ?
C4 O9 1.279(4) . ?
C4 C3 1.510(5) . ?
C4 Nd1 3.037(3) 2_757 ?
O6 Nd2 2.391(2) 2_757 ?
O7 Nd1 2.447(2) 2_767 ?
O2 Nd2 2.413(3) 2_767 ?
O4 C2 1.275(4) . ?
O4 Nd1 2.544(2) 2_766 ?
O8 Nd1 2.385(2) 1_556 ?
O1W H1W 0.83(6) . ?
O1W H2W 0.78(6) . ?
O2W H3W 0.84(6) . ?
O2W H4W 0.72(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C1 C2 1.494(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 O5 1.256(4) . ?
C2 Nd1 2.948(3) 2_766 ?
O5 Nd1 2.592(3) 2_766 ?
O9 Nd1 2.548(2) 2_757 ?
O9 Nd2 2.567(2) 2_757 ?
O10 Nd1 2.738(3) 2_757 ?
O3W H5W 0.80(6) . ?
O3W H6W 0.88(6) . ?
O4W H7W 0.70(5) . ?
 
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
O8 Nd1 O1 116.34(9) 1_554 . ?
O8 Nd1 O7 140.58(8) 1_554 2_767 ?
O1 Nd1 O7 74.04(8) . 2_767 ?
O8 Nd1 O4 72.66(8) 1_554 . ?
O1 Nd1 O4 72.55(8) . . ?
O7 Nd1 O4 75.36(8) 2_767 . ?
O8 Nd1 O4W 136.17(9) 1_554 . ?
O1 Nd1 O4W 98.09(9) . . ?
O7 Nd1 O4W 72.31(9) 2_767 . ?
O4 Nd1 O4W 147.67(9) . . ?
O8 Nd1 O4 74.97(8) 1_554 2_766 ?
O1 Nd1 O4 130.28(8) . 2_766 ?
O7 Nd1 O4 71.03(8) 2_767 2_766 ?
O4 Nd1 O4 65.20(9) . 2_766 ?
O4W Nd1 O4 103.63(9) . 2_766 ?
O8 Nd1 O9 86.65(8) 1_554 2_757 ?
O1 Nd1 O9 63.29(8) . 2_757 ?
O7 Nd1 O9 128.21(8) 2_767 2_757 ?
O4 Nd1 O9 115.06(8) . 2_757 ?
O4W Nd1 O9 85.58(9) . 2_757 ?
O4 Nd1 O9 160.74(8) 2_766 2_757 ?
O8 Nd1 O5 77.99(9) 1_554 2_766 ?
O1 Nd1 O5 165.67(9) . 2_766 ?
O7 Nd1 O5 94.94(8) 2_767 2_766 ?
O4 Nd1 O5 114.13(8) . 2_766 ?
O4W Nd1 O5 69.36(9) . 2_766 ?
O4 Nd1 O5 50.60(8) 2_766 2_766 ?
O9 Nd1 O5 120.50(8) 2_757 2_766 ?
O8 Nd1 O10 73.48(9) 1_554 2_757 ?
O1 Nd1 O10 110.87(8) . 2_757 ?
O7 Nd1 O10 141.50(9) 2_767 2_757 ?
O4 Nd1 O10 143.14(8) . 2_757 ?
O4W Nd1 O10 69.19(9) . 2_757 ?
O4 Nd1 O10 118.56(8) 2_766 2_757 ?
O9 Nd1 O10 48.58(8) 2_757 2_757 ?
O5 Nd1 O10 71.98(8) 2_766 2_757 ?
O8 Nd1 C2 73.80(9) 1_554 2_766 ?
O1 Nd1 C2 154.10(9) . 2_766 ?
O7 Nd1 C2 83.56(9) 2_767 2_766 ?
O4 Nd1 C2 89.53(9) . 2_766 ?
O4W Nd1 C2 87.06(10) . 2_766 ?
O4 Nd1 C2 25.50(9) 2_766 2_766 ?
O9 Nd1 C2 142.61(9) 2_757 2_766 ?
O5 Nd1 C2 25.15(9) 2_766 2_766 ?
O10 Nd1 C2 94.73(9) 2_757 2_766 ?
O8 Nd1 C4 76.75(9) 1_554 2_757 ?
O1 Nd1 C4 87.68(9) . 2_757 ?
O7 Nd1 C4 142.61(9) 2_767 2_757 ?
O4 Nd1 C4 130.27(9) . 2_757 ?
O4W Nd1 C4 78.56(10) . 2_757 ?
O4 Nd1 C4 140.06(9) 2_766 2_757 ?
O9 Nd1 C4 24.53(9) 2_757 2_757 ?
O5 Nd1 C4 96.23(9) 2_766 2_757 ?
O10 Nd1 C4 24.29(8) 2_757 2_757 ?
C2 Nd1 C4 118.21(9) 2_766 2_757 ?
O6 Nd2 O2 100.66(8) 2_757 2_767 ?
O6 Nd2 O6 64.55(10) 2_757 . ?
O2 Nd2 O6 80.90(8) 2_767 . ?
O6 Nd2 O3 151.16(8) 2_757 . ?
O2 Nd2 O3 107.99(8) 2_767 . ?
O6 Nd2 O3 122.74(8) . . ?
O6 Nd2 O2W 88.49(10) 2_757 . ?
O2 Nd2 O2W 149.89(9) 2_767 . ?
O6 Nd2 O2W 77.30(9) . . ?
O3 Nd2 O2W 68.33(9) . . ?
O6 Nd2 O1W 75.33(9) 2_757 . ?
O2 Nd2 O1W 138.54(9) 2_767 . ?
O6 Nd2 O1W 129.13(9) . . ?
O3 Nd2 O1W 80.96(9) . . ?
O2W Nd2 O1W 71.48(10) . . ?
O6 Nd2 O1 128.86(8) 2_757 . ?
O2 Nd2 O1 76.47(8) 2_767 . ?
O6 Nd2 O1 155.50(8) . . ?
O3 Nd2 O1 57.65(8) . . ?
O2W Nd2 O1 119.54(9) . . ?
O1W Nd2 O1 75.12(9) . . ?
O6 Nd2 O9 69.39(8) 2_757 2_757 ?
O2 Nd2 O9 72.34(9) 2_767 2_757 ?
O6 Nd2 O9 120.28(8) . 2_757 ?
O3 Nd2 O9 116.11(8) . 2_757 ?
O2W Nd2 O9 137.14(9) . 2_757 ?
O1W Nd2 O9 67.66(9) . 2_757 ?
O1 Nd2 O9 61.06(8) . 2_757 ?
O6 Nd2 O7 118.71(7) 2_757 . ?
O2 Nd2 O7 76.08(8) 2_767 . ?
O6 Nd2 O7 54.40(7) . . ?
O3 Nd2 O7 72.63(7) . . ?
O2W Nd2 O7 74.39(9) . . ?
O1W Nd2 O7 142.64(9) . . ?
O1 Nd2 O7 110.14(7) . . ?
O9 Nd2 O7 148.38(8) 2_757 . ?
O6 Nd2 P1 148.24(6) 2_757 . ?
O2 Nd2 P1 93.48(6) 2_767 . ?
O6 Nd2 P1 146.54(6) . . ?
O3 Nd2 P1 28.63(6) . . ?
O2W Nd2 P1 93.37(7) . . ?
O1W Nd2 P1 75.27(7) . . ?
O1 Nd2 P1 29.06(6) . . ?
O9 Nd2 P1 88.46(6) 2_757 . ?
O7 Nd2 P1 92.17(5) . . ?
O6 Nd2 P2 90.95(6) 2_757 . ?
O2 Nd2 P2 79.18(6) 2_767 . ?
O6 Nd2 P2 26.79(6) . . ?
O3 Nd2 P2 97.49(6) . . ?
O2W Nd2 P2 71.98(7) . . ?
O1W Nd2 P2 141.14(7) . . ?
O1 Nd2 P2 136.27(6) . . ?
O9 Nd2 P2 141.04(6) 2_757 . ?
O7 Nd2 P2 27.76(5) . . ?
P1 Nd2 P2 119.75(2) . . ?
O6 Nd2 Nd2 32.95(6) 2_757 2_757 ?
O2 Nd2 Nd2 90.69(6) 2_767 2_757 ?
O6 Nd2 Nd2 31.61(6) . 2_757 ?
O3 Nd2 Nd2 146.53(5) . 2_757 ?
O2W Nd2 Nd2 81.51(7) . 2_757 ?
O1W Nd2 Nd2 103.48(7) . 2_757 ?
O1 Nd2 Nd2 155.81(6) . 2_757 ?
O9 Nd2 Nd2 95.70(6) 2_757 2_757 ?
O7 Nd2 Nd2 85.88(5) . 2_757 ?
P1 Nd2 Nd2 174.842(18) . 2_757 ?
P2 Nd2 Nd2 58.130(16) . 2_757 ?
O2 P1 O3 114.97(14) . . ?
O2 P1 O1 112.41(14) . . ?
O3 P1 O1 105.43(14) . . ?
O2 P1 C1 107.87(16) . . ?
O3 P1 C1 106.30(15) . . ?
O1 P1 C1 109.62(16) . . ?
O2 P1 Nd2 134.20(11) . . ?
O3 P1 Nd2 51.29(10) . . ?
O1 P1 Nd2 54.23(9) . . ?
C1 P1 Nd2 117.91(12) . . ?
O8 P2 O7 116.79(14) . . ?
O8 P2 O6 111.64(14) . . ?
O7 P2 O6 105.49(14) . . ?
O8 P2 C3 106.56(16) . . ?
O7 P2 C3 108.64(16) . . ?
O6 P2 C3 107.37(16) . . ?
O8 P2 Nd2 136.99(11) . . ?
O7 P2 Nd2 59.37(10) . . ?
O6 P2 Nd2 46.49(9) . . ?
C3 P2 Nd2 115.14(12) . . ?
O10 C4 O9 119.2(3) . . ?
O10 C4 C3 121.2(3) . . ?
O9 C4 C3 119.6(3) . . ?
O10 C4 Nd1 64.33(19) . 2_757 ?
O9 C4 Nd1 55.82(17) . 2_757 ?
C3 C4 Nd1 169.2(3) . 2_757 ?
P1 O1 Nd1 136.83(14) . . ?
P1 O1 Nd2 96.71(11) . . ?
Nd1 O1 Nd2 120.48(10) . . ?
P1 O3 Nd2 100.08(12) . . ?
P2 O6 Nd2 136.62(14) . 2_757 ?
P2 O6 Nd2 106.72(12) . . ?
Nd2 O6 Nd2 115.45(9) 2_757 . ?
P2 O7 Nd1 138.83(15) . 2_767 ?
P2 O7 Nd2 92.87(11) . . ?
Nd1 O7 Nd2 123.78(9) 2_767 . ?
P1 O2 Nd2 123.57(14) . 2_767 ?
C2 O4 Nd1 144.9(2) . . ?
C2 O4 Nd1 95.3(2) . 2_766 ?
Nd1 O4 Nd1 114.80(9) . 2_766 ?
P2 O8 Nd1 139.56(14) . 1_556 ?
Nd2 O1W H1W 118(4) . . ?
Nd2 O1W H2W 112(4) . . ?
H1W O1W H2W 105(5) . . ?
Nd2 O2W H3W 123(3) . . ?
Nd2 O2W H4W 127(4) . . ?
H3W O2W H4W 107(5) . . ?
C4 C3 P2 114.8(3) . . ?
C4 C3 H3A 108.6 . . ?
P2 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
P2 C3 H3B 108.6 . . ?
H3A C3 H3B 107.5 . . ?
C2 C1 P1 114.7(3) . . ?
C2 C1 H1A 108.6 . . ?
P1 C1 H1A 108.6 . . ?
C2 C1 H1B 108.6 . . ?
P1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
O5 C2 O4 120.4(3) . . ?
O5 C2 C1 121.3(3) . . ?
O4 C2 C1 118.3(3) . . ?
O5 C2 Nd1 61.36(18) . 2_766 ?
O4 C2 Nd1 59.23(17) . 2_766 ?
C1 C2 Nd1 176.7(2) . 2_766 ?
C2 O5 Nd1 93.5(2) . 2_766 ?
C4 O9 Nd1 99.7(2) . 2_757 ?
C4 O9 Nd2 144.8(2) . 2_757 ?
Nd1 O9 Nd2 115.14(9) 2_757 2_757 ?
C4 O10 Nd1 91.4(2) . 2_757 ?
H5W O3W H6W 105(6) . . ?
Nd1 O4W H7W 107(4) . . ?
 
_diffrn_measured_fraction_theta_max    0.993
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.993
_refine_diff_density_max    0.643
_refine_diff_density_min   -0.659
_refine_diff_density_rms    0.164
