#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/94/1519472.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1519472
loop_
_publ_author_name
'Bell, Norman A.'
'Coles, Simon J.'
'Hursthouse, Michael B.'
_publ_section_title
;
 C29H38I2O11PZn
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              883
_journal_year                    2002
_chemical_formula_sum            'C29 H38 I2 O11 P Zn'
_chemical_formula_weight         912.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                69.7750(6)
_cell_angle_beta                 69.7460(6)
_cell_angle_gamma                70.6080(7)
_cell_formula_units_Z            2
_cell_length_a                   11.7172(2)
_cell_length_b                   12.5417(2)
_cell_length_c                   13.7674(2)
_cell_measurement_reflns_used    16620
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     1728.45(5)
_computing_cell_refinement       'DENZO and COLLECT'
_computing_data_collection
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_data_reduction        'DENZO and COLLECT'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method       'ω and φ scans to fill Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25558
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    2.597
_exptl_absorpt_correction_T_max  0.6247
_exptl_absorpt_correction_T_min  0.4231
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SORTAV (R.H> Blessing, 1995, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             902
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.985
_refine_diff_density_min         -1.726
_refine_diff_density_rms         0.132
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         7839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0569P)²+3.8542P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1111
_reflns_number_gt                6683
_reflns_number_total             7839
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            eCrystal-883.cif
_cod_data_source_block           s92
_cod_depositor_comments
;
Citation :
Bell, Norman A. and Coles, Simon J. and Hursthouse, Michael B. (2002) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/883)

More at:
http://ecrystals.chem.soton.ac.uk/883/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1519472
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 . . .
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'
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
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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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) .
