 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C29 H38 I2 O11 P Zn'
_chemical_formula_weight          912.73
 
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'
 'Zn'  'Zn'   0.2839   1.4301
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'I'  'I'  -0.4742   1.8119
 '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                    11.7172(2)
_cell_length_b                    12.5417(2)
_cell_length_c                    13.7674(2)
_cell_angle_alpha                 69.7750(6)
_cell_angle_beta                  69.7460(6)
_cell_angle_gamma                 70.6080(7)
_cell_volume                      1728.45(5)
_cell_formula_units_Z             2
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     16620
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_size_max           0.40
_exptl_crystal_size_mid           0.25
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.754
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              902
_exptl_absorpt_coefficient_mu     2.597
_exptl_absorpt_correction_type    Empirical
_exptl_absorpt_correction_T_min   0.4231
_exptl_absorpt_correction_T_max   0.6247
_exptl_absorpt_process_details    'SORTAV (R.H> Blessing, 1995, 1997)'
 
_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             25558
_diffrn_reflns_av_R_equivalents   0.0546
_diffrn_reflns_av_sigmaI/netI     0.0430
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_theta_min          3.09
_diffrn_reflns_theta_max          27.48
_reflns_number_total              7839
_reflns_number_gt                 6683
_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     ?
_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)+(0.0569P)²+3.8542P] 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_number_reflns          7839
_refine_ls_number_parameters      408
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0517
_refine_ls_R_factor_gt            0.0419
_refine_ls_wR_factor_ref          0.1111
_refine_ls_wR_factor_gt           0.1047
_refine_ls_goodness_of_fit_ref    1.026
_refine_ls_restrained_S_all       1.026
_refine_ls_shift/su_max           0.001
_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
C1 C 0.3372(3) 0.5050(3) 0.8129(3) 0.0162(6) Uani 1 1 d . . .
C2 C 0.4413(3) 0.4469(3) 0.7461(3) 0.0181(7) Uani 1 1 d . . .
C3 C 0.5981(4) 0.4579(4) 0.5780(3) 0.0281(8) Uani 1 1 d . . .
H3A H 0.6660 0.4190 0.6138 0.042 Uiso 1 1 calc R . .
H3B H 0.6260 0.5163 0.5121 0.042 Uiso 1 1 calc R . .
H3C H 0.5755 0.3997 0.5602 0.042 Uiso 1 1 calc R . .
C4 C 0.4917(4) 0.3261(3) 0.7759(3) 0.0223(7) Uani 1 1 d . . .
H4 H 0.5650 0.2890 0.7310 0.027 Uiso 1 1 calc R . .
C5 C 0.4307(4) 0.2624(3) 0.8735(3) 0.0249(8) Uani 1 1 d . . .
C6 C 0.5951(5) 0.0882(4) 0.8576(4) 0.0400(11) Uani 1 1 d . . .
H6A H 0.5962 0.0912 0.7852 0.060 Uiso 1 1 calc R . .
H6B H 0.6175 0.0064 0.8981 0.060 Uiso 1 1 calc R . .
H6C H 0.6556 0.1292 0.8530 0.060 Uiso 1 1 calc R . .
C7 C 0.3229(4) 0.3153(3) 0.9399(3) 0.0241(8) Uani 1 1 d . . .
H7 H 0.2816 0.2696 1.0055 0.029 Uiso 1 1 calc R . .
C8 C 0.2767(3) 0.4350(3) 0.9092(3) 0.0187(7) Uani 1 1 d . . .
C9 C 0.1133(4) 0.4287(4) 1.0728(3) 0.0314(9) Uani 1 1 d . . .
H9A H 0.0859 0.3659 1.0669 0.047 Uiso 1 1 calc R . .
H9B H 0.0409 0.4819 1.1077 0.047 Uiso 1 1 calc R . .
H9C H 0.1745 0.3947 1.1157 0.047 Uiso 1 1 calc R . .
C10 C 0.1795(3) 0.7247(3) 0.8752(3) 0.0175(7) Uani 1 1 d . . .
C11 C 0.2195(3) 0.7048(3) 0.9674(3) 0.0188(7) Uani 1 1 d . . .
C12 C 0.3835(4) 0.6173(4) 1.0563(4) 0.0385(11) Uani 1 1 d . . .
H12A H 0.3783 0.6930 1.0655 0.058 Uiso 1 1 calc R . .
H12B H 0.4710 0.5723 1.0434 0.058 Uiso 1 1 calc R . .
H12C H 0.3330 0.5737 1.1214 0.058 Uiso 1 1 calc R . .
C13 C 0.1441(4) 0.7521(3) 1.0518(3) 0.0261(8) Uani 1 1 d . . .
H13 H 0.1730 0.7376 1.1128 0.031 Uiso 1 1 calc R . .
C14 C 0.0246(4) 0.8217(3) 1.0461(3) 0.0272(8) Uani 1 1 d . . .
C15 C -0.1695(5) 0.9320(5) 1.1376(4) 0.0462(13) Uani 1 1 d . . .
H15A H -0.1698 1.0006 1.0756 0.069 Uiso 1 1 calc R . .
H15B H -0.2059 0.9579 1.2038 0.069 Uiso 1 1 calc R . .
H15C H -0.2191 0.8837 1.1359 0.069 Uiso 1 1 calc R . .
C16 C -0.0192(4) 0.8441(3) 0.9581(3) 0.0239(8) Uani 1 1 d . . .
H16 H -0.1003 0.8925 0.9548 0.029 Uiso 1 1 calc R . .
C17 C 0.0579(3) 0.7943(3) 0.8746(3) 0.0200(7) Uani 1 1 d . . .
C18 C -0.0940(4) 0.8960(4) 0.7711(3) 0.0361(10) Uani 1 1 d . . .
H18A H -0.1659 0.8773 0.8309 0.054 Uiso 1 1 calc R . .
H18B H -0.1077 0.8981 0.7041 0.054 Uiso 1 1 calc R . .
H18C H -0.0847 0.9726 0.7663 0.054 Uiso 1 1 calc R . .
C19 C 0.2197(3) 0.6988(3) 0.6589(3) 0.0165(6) Uani 1 1 d . . .
C20 C 0.2099(3) 0.8128(3) 0.5895(3) 0.0189(7) Uani 1 1 d . . .
C21 C 0.2216(4) 1.0090(3) 0.5564(4) 0.0322(9) Uani 1 1 d . . .
H21A H 0.2702 1.0145 0.4816 0.048 Uiso 1 1 calc R . .
H21B H 0.2469 1.0553 0.5863 0.048 Uiso 1 1 calc R . .
H21C H 0.1321 1.0393 0.5595 0.048 Uiso 1 1 calc R . .
C22 C 0.1630(3) 0.8445(3) 0.5006(3) 0.0228(7) Uani 1 1 d . . .
H22 H 0.1596 0.9207 0.4531 0.027 Uiso 1 1 calc R . .
C23 C 0.1217(3) 0.7645(3) 0.4824(3) 0.0205(7) Uani 1 1 d . . .
C24 C 0.0267(4) 0.7255(4) 0.3734(4) 0.0359(10) Uani 1 1 d . . .
H24A H 0.0898 0.6524 0.3660 0.054 Uiso 1 1 calc R . .
H24B H -0.0017 0.7633 0.3077 0.054 Uiso 1 1 calc R . .
H24C H -0.0448 0.7084 0.4344 0.054 Uiso 1 1 calc R . .
C25 C 0.1202(3) 0.6540(3) 0.5527(3) 0.0203(7) Uani 1 1 d . . .
H25 H 0.0870 0.6013 0.5409 0.024 Uiso 1 1 calc R . .
C26 C 0.1689(3) 0.6225(3) 0.6412(3) 0.0175(7) Uani 1 1 d . . .
C27 C 0.1242(4) 0.4331(3) 0.6983(3) 0.0277(8) Uani 1 1 d . . .
H27A H 0.0353 0.4623 0.6991 0.042 Uiso 1 1 calc R . .
H27B H 0.1357 0.3604 0.7551 0.042 Uiso 1 1 calc R . .
H27C H 0.1735 0.4181 0.6286 0.042 Uiso 1 1 calc R . .
C28 C 0.4644(7) 0.9001(6) 0.7832(7) 0.080(2) Uani 1 1 d . . .
H28A H 0.4514 0.9802 0.7887 0.095 Uiso 1 1 calc R . .
H28B H 0.3816 0.8820 0.8049 0.095 Uiso 1 1 calc R . .
C29 C 0.5349(11) 0.8240(8) 0.8446(8) 0.105(3) Uani 1 1 d . . .
H29A H 0.5225 0.7458 0.8594 0.157 Uiso 1 1 calc R . .
H29B H 0.5119 0.8452 0.9122 0.157 Uiso 1 1 calc R . .
H29C H 0.6231 0.8240 0.8081 0.157 Uiso 1 1 calc R . .
O1 O 0.4910(2) 0.5147(2) 0.64805(19) 0.0211(5) Uani 1 1 d . . .
O2 O 0.4720(3) 0.1436(2) 0.9109(3) 0.0366(7) Uani 1 1 d . . .
O3 O 0.1698(2) 0.4920(2) 0.9682(2) 0.0236(5) Uani 1 1 d . . .
O4 O 0.3371(2) 0.6360(2) 0.9668(2) 0.0237(5) Uani 1 1 d . . .
O5 O -0.0427(3) 0.8646(3) 1.1339(2) 0.0425(8) Uani 1 1 d . . .
O6 O 0.0167(2) 0.8090(2) 0.7885(2) 0.0253(6) Uani 1 1 d . . .
O7 O 0.2441(3) 0.8892(2) 0.6172(2) 0.0245(6) Uani 1 1 d . . .
O8 O 0.0804(3) 0.8021(3) 0.3912(2) 0.0307(6) Uani 1 1 d . . .
O9 O 0.1648(3) 0.5186(2) 0.7161(2) 0.0251(6) Uani 1 1 d . . .
O10 O 0.4036(2) 0.7112(2) 0.73309(19) 0.0202(5) Uani 1 1 d . . .
O11 O 0.5356(4) 0.8909(3) 0.6643(3) 0.0437(8) Uani 1 1 d . . .
P1 P 0.28920(8) 0.66230(7) 0.76769(7) 0.01486(18) Uani 1 1 d . . .
Zn1 Zn 0.55193(4) 0.73911(4) 0.62473(3) 0.02367(12) Uani 1 1 d . . .
I1 I 0.55356(2) 0.80702(2) 0.425524(19) 0.02650(9) Uani 1 1 d . . .
I2 I 0.76385(3) 0.61390(3) 0.65899(3) 0.04573(11) Uani 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
C1 C2 1.400(5) . ?
C1 C8 1.410(5) . ?
C1 P1 1.803(3) . ?
C2 O1 1.369(4) . ?
C2 C4 1.399(5) . ?
C3 O1 1.434(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.388(5) . ?
C4 H4 0.9500 . ?
C5 O2 1.372(5) . ?
C5 C7 1.391(6) . ?
C6 O2 1.434(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.381(5) . ?
C7 H7 0.9500 . ?
C8 O3 1.358(4) . ?
C9 O3 1.429(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C17 1.404(5) . ?
C10 C11 1.418(5) . ?
C10 P1 1.809(4) . ?
C11 O4 1.360(4) . ?
C11 C13 1.379(5) . ?
C12 O4 1.432(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.395(6) . ?
C13 H13 0.9500 . ?
C14 O5 1.372(5) . ?
C14 C16 1.381(6) . ?
C15 O5 1.438(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.389(5) . ?
C16 H16 0.9500 . ?
C17 O6 1.363(4) . ?
C18 O6 1.424(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C26 1.403(5) . ?
C19 C20 1.412(5) . ?
C19 P1 1.800(3) . ?
C20 O7 1.356(4) . ?
C20 C22 1.393(5) . ?
C21 O7 1.431(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.372(6) . ?
C22 H22 0.9500 . ?
C23 O8 1.377(4) . ?
C23 C25 1.391(5) . ?
C24 O8 1.431(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.402(5) . ?
C25 H25 0.9500 . ?
C26 O9 1.357(4) . ?
C27 O9 1.426(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.308(11) . ?
C28 O11 1.584(9) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O10 P1 1.517(3) . ?
O10 Zn1 1.902(2) . ?
O11 Zn1 2.088(3) . ?
Zn1 I2 2.5619(5) . ?
Zn1 I1 2.5704(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
C2 C1 C8 117.0(3) . . ?
C2 C1 P1 117.6(3) . . ?
C8 C1 P1 125.3(3) . . ?
O1 C2 C4 121.1(3) . . ?
O1 C2 C1 116.3(3) . . ?
C4 C2 C1 122.6(3) . . ?
O1 C3 H3A 109.5 . . ?
O1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
O1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C2 117.6(3) . . ?
C5 C4 H4 121.2 . . ?
C2 C4 H4 121.2 . . ?
O2 C5 C4 122.6(4) . . ?
O2 C5 C7 115.5(3) . . ?
C4 C5 C7 121.9(3) . . ?
O2 C6 H6A 109.5 . . ?
O2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
O2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C5 119.2(3) . . ?
C8 C7 H7 120.4 . . ?
C5 C7 H7 120.4 . . ?
O3 C8 C7 122.4(3) . . ?
O3 C8 C1 116.1(3) . . ?
C7 C8 C1 121.6(3) . . ?
O3 C9 H9A 109.5 . . ?
O3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C17 C10 C11 116.4(3) . . ?
C17 C10 P1 125.6(3) . . ?
C11 C10 P1 117.9(3) . . ?
O4 C11 C13 122.5(3) . . ?
O4 C11 C10 115.4(3) . . ?
C13 C11 C10 122.1(3) . . ?
O4 C12 H12A 109.5 . . ?
O4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 C14 118.8(3) . . ?
C11 C13 H13 120.6 . . ?
C14 C13 H13 120.6 . . ?
O5 C14 C16 124.2(4) . . ?
O5 C14 C13 114.2(3) . . ?
C16 C14 C13 121.6(3) . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 C17 118.6(3) . . ?
C14 C16 H16 120.7 . . ?
C17 C16 H16 120.7 . . ?
O6 C17 C16 120.9(3) . . ?
O6 C17 C10 116.7(3) . . ?
C16 C17 C10 122.4(3) . . ?
O6 C18 H18A 109.5 . . ?
O6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C26 C19 C20 117.4(3) . . ?
C26 C19 P1 124.0(3) . . ?
C20 C19 P1 118.5(3) . . ?
O7 C20 C22 122.8(3) . . ?
O7 C20 C19 115.9(3) . . ?
C22 C20 C19 121.2(3) . . ?
O7 C21 H21A 109.5 . . ?
O7 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O7 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C20 119.2(3) . . ?
C23 C22 H22 120.4 . . ?
C20 C22 H22 120.4 . . ?
C22 C23 O8 115.4(3) . . ?
C22 C23 C25 122.0(3) . . ?
O8 C23 C25 122.7(3) . . ?
O8 C24 H24A 109.5 . . ?
O8 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O8 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 C26 118.3(3) . . ?
C23 C25 H25 120.9 . . ?
C26 C25 H25 120.9 . . ?
O9 C26 C25 121.6(3) . . ?
O9 C26 C19 116.8(3) . . ?
C25 C26 C19 121.6(3) . . ?
O9 C27 H27A 109.5 . . ?
O9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 O11 106.8(7) . . ?
C29 C28 H28A 110.4 . . ?
O11 C28 H28A 110.4 . . ?
C29 C28 H28B 110.4 . . ?
O11 C28 H28B 110.4 . . ?
H28A C28 H28B 108.6 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C2 O1 C3 117.7(3) . . ?
C5 O2 C6 117.8(3) . . ?
C8 O3 C9 118.5(3) . . ?
C11 O4 C12 117.4(3) . . ?
C14 O5 C15 118.1(3) . . ?
C17 O6 C18 119.8(3) . . ?
C20 O7 C21 117.6(3) . . ?
C23 O8 C24 117.4(3) . . ?
C26 O9 C27 119.5(3) . . ?
P1 O10 Zn1 146.73(16) . . ?
C28 O11 Zn1 118.3(3) . . ?
O10 P1 C19 111.79(15) . . ?
O10 P1 C1 108.39(15) . . ?
C19 P1 C1 108.33(16) . . ?
O10 P1 C10 106.47(15) . . ?
C19 P1 C10 110.50(16) . . ?
C1 P1 C10 111.36(16) . . ?
O10 Zn1 O11 91.58(13) . . ?
O10 Zn1 I2 118.34(8) . . ?
O11 Zn1 I2 101.72(11) . . ?
O10 Zn1 I1 120.56(8) . . ?
O11 Zn1 I1 104.86(9) . . ?
I2 Zn1 I1 113.425(19) . . ?
 
_diffrn_measured_fraction_theta_max    0.988
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.988
_refine_diff_density_max    1.985
_refine_diff_density_min   -1.726
_refine_diff_density_rms    0.132
