#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:53:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006456.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_7006456
loop_
_publ_author_name
'Liu, C. W.'
'Lobana, Tarlok S.'
'Santra, Bidyut K.'
'Hung, Chiu-Mine'
'Liu, Hong-Yuan'
'Liaw, Ben-Jie'
'Wang, Ju-Chun'
_publ_section_title
;
 Coordination chemistry of Group 12 metals with phosphorodiselenoates:
 syntheses, structures and VT 31P NMR study of monomer-dimer exchange
 equilibrium.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              560
_journal_page_last               570
_journal_paper_doi               10.1039/b510728h
_journal_year                    2006
_chemical_formula_sum            'C36 H84 O13 P6 Se12 Zn4'
_chemical_formula_weight         2119.85
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.847(3)
_cell_angle_beta                 105.662(3)
_cell_angle_gamma                108.246(3)
_cell_formula_units_Z            1
_cell_length_a                   12.891(2)
_cell_length_b                   13.336(2)
_cell_length_c                   13.584(2)
_cell_measurement_reflns_used    880
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.70
_cell_measurement_theta_min      3.11
_cell_volume                     1827.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9394
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    7.446
_exptl_absorpt_correction_T_max  0.9633
_exptl_absorpt_correction_T_min  0.3495
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Column
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.317
_refine_diff_density_min         -1.000
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         6365
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0599
_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)+(0.0675P)²+10.5082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1680
_reflns_number_gt                4437
_reflns_number_total             6365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b510728h.txt
_cod_data_source_block           12
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006456
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
Zn1 Zn 0.83986(18) 0.49659(19) 0.48523(18) 0.0567(5) Uani 0.50 1 d P . .
Zn2 Zn 0.99487(19) 0.44252(18) 0.34084(17) 0.0536(5) Uani 0.50 1 d P . .
Zn3 Zn 1.13282(18) 0.67049(18) 0.61277(17) 0.0546(5) Uani 0.50 1 d P . .
Zn4 Zn 1.02006(18) 0.38830(17) 0.55709(17) 0.0520(5) Uani 0.50 1 d P . .
Se1 Se 1.17558(11) 0.78994(10) 0.51252(11) 0.0788(3) Uani 1 1 d . . .
Se2 Se 1.20681(12) 0.51785(11) 0.35820(11) 0.0844(4) Uani 1 1 d . . .
Se3 Se 0.87898(9) 0.51872(9) 0.22989(9) 0.0669(3) Uani 1 1 d . . .
Se4 Se 0.66882(9) 0.32050(11) 0.28824(10) 0.0768(3) Uani 1 1 d . . .
Se5 Se 0.85142(11) 0.69748(11) 0.50806(10) 0.0793(3) Uani 1 1 d . . .
Se6 Se 1.10276(13) 0.78736(11) 0.77884(10) 0.0930(4) Uani 1 1 d . . .
P1 P 1.2565(3) 0.7054(3) 0.4127(3) 0.0843(9) Uani 1 1 d . . .
P2 P 0.6994(2) 0.3786(2) 0.1669(2) 0.0635(6) Uani 1 1 d . . .
P3 P 0.9517(4) 0.8108(3) 0.6964(3) 0.0879(10) Uani 1 1 d . . .
O1 O 1.0000 0.5000 0.5000 0.0397(15) Uani 1 2 d S . .
O2 O 1.3994(10) 0.7845(12) 0.5010(17) 0.207(8) Uani 1 1 d . . .
O3 O 1.244(2) 0.7260(12) 0.3107(14) 0.218(9) Uani 1 1 d . . .
O4 O 0.6729(7) 0.2693(6) 0.0451(6) 0.083(2) Uani 1 1 d . . .
O5 O 0.6001(7) 0.4159(8) 0.1218(7) 0.085(2) Uani 1 1 d . . .
O6 O 0.8558(10) 0.7848(10) 0.7495(8) 0.118(3) Uani 1 1 d . . .
O7 O 0.9847(12) 0.9474(8) 0.7359(8) 0.129(4) Uani 1 1 d . . .
C1 C 1.500(2) 0.764(3) 0.499(2) 0.34(3) Uani 1 1 d D . .
H1A H 1.4735 0.6904 0.4235 0.405 Uiso 1 1 calc R . .
C2 C 1.578(5) 0.759(8) 0.605(5) 1.01(15) Uani 1 1 d D . .
H2A H 1.5271 0.6915 0.6087 1.518 Uiso 1 1 calc R . .
H2B H 1.6097 0.8347 0.6783 1.518 Uiso 1 1 calc R . .
H2C H 1.6437 0.7468 0.5928 1.518 Uiso 1 1 calc R . .
C3 C 1.580(2) 0.883(4) 0.501(4) 0.39(3) Uani 1 1 d . . .
H3A H 1.5284 0.8986 0.4493 0.585 Uiso 1 1 calc R . .
H3B H 1.6386 0.8700 0.4730 0.585 Uiso 1 1 calc R . .
H3C H 1.6227 0.9532 0.5806 0.585 Uiso 1 1 calc R . .
C4 C 1.1711(14) 0.6480(19) 0.1839(17) 0.133(6) Uani 1 1 d . . .
H4A H 1.1011 0.5773 0.1687 0.160 Uiso 1 1 calc R . .
C5 C 1.123(2) 0.716(3) 0.136(3) 0.248(15) Uani 1 1 d . . .
H5A H 1.0768 0.7424 0.1755 0.373 Uiso 1 1 calc R . .
H5B H 1.0711 0.6620 0.0520 0.373 Uiso 1 1 calc R . .
H5C H 1.1898 0.7860 0.1507 0.373 Uiso 1 1 calc R . .
C6 C 1.239(2) 0.600(2) 0.1261(18) 0.200(11) Uani 1 1 d . . .
H6A H 1.2645 0.5547 0.1576 0.301 Uiso 1 1 calc R . .
H6B H 1.3088 0.6679 0.1408 0.301 Uiso 1 1 calc R . .
H6C H 1.1871 0.5473 0.0417 0.301 Uiso 1 1 calc R . .
C7 C 0.5646(13) 0.1491(12) -0.0225(13) 0.112(5) Uani 1 1 d . . .
H7A H 0.5362 0.1306 0.0315 0.135 Uiso 1 1 calc R . .
C8 C 0.6034(18) 0.0585(14) -0.0833(16) 0.164(8) Uani 1 1 d . . .
H8A H 0.5355 -0.0231 -0.1289 0.245 Uiso 1 1 calc R . .
H8B H 0.6685 0.0625 -0.0246 0.245 Uiso 1 1 calc R . .
H8C H 0.6313 0.0779 -0.1356 0.245 Uiso 1 1 calc R . .
C9 C 0.471(2) 0.144(2) -0.110(3) 0.35(3) Uani 1 1 d . . .
H9A H 0.4446 0.2017 -0.0711 0.531 Uiso 1 1 calc R . .
H9B H 0.4028 0.0621 -0.1565 0.531 Uiso 1 1 calc R . .
H9C H 0.5001 0.1643 -0.1605 0.531 Uiso 1 1 calc R . .
C10 C 0.5729(14) 0.5013(14) 0.2032(12) 0.109(4) Uani 1 1 d . . .
H10A H 0.6215 0.5263 0.2858 0.131 Uiso 1 1 calc R . .
C11 C 0.605(2) 0.6129(18) 0.189(2) 0.193(10) Uani 1 1 d . . .
H11A H 0.6911 0.6526 0.2117 0.290 Uiso 1 1 calc R . .
H11B H 0.5849 0.6697 0.2385 0.290 Uiso 1 1 calc R . .
H11C H 0.5599 0.5868 0.1068 0.290 Uiso 1 1 calc R . .
C12 C 0.4412(18) 0.436(3) 0.169(2) 0.226(13) Uani 1 1 d . . .
H12A H 0.4242 0.3667 0.1791 0.339 Uiso 1 1 calc R . .
H12B H 0.3947 0.4085 0.0865 0.339 Uiso 1 1 calc R . .
H12C H 0.4193 0.4916 0.2180 0.339 Uiso 1 1 calc R . .
C13 C 0.896(3) 0.859(2) 0.869(2) 0.204(12) Uani 1 1 d . . .
H13A H 0.9752 0.9322 0.9056 0.245 Uiso 1 1 calc R . .
C14 C 0.900(3) 0.780(2) 0.9286(19) 0.219(12) Uani 1 1 d . . .
H14A H 0.9667 0.7618 0.9302 0.328 Uiso 1 1 calc R . .
H14B H 0.8247 0.7043 0.8833 0.328 Uiso 1 1 calc R . .
H14C H 0.9110 0.8251 1.0087 0.328 Uiso 1 1 calc R . .
C15 C 0.788(3) 0.895(2) 0.874(2) 0.230(13) Uani 1 1 d . . .
H15A H 0.7861 0.9459 0.8396 0.345 Uiso 1 1 calc R . .
H15B H 0.8025 0.9396 0.9554 0.345 Uiso 1 1 calc R . .
H15C H 0.7110 0.8213 0.8294 0.345 Uiso 1 1 calc R . .
C16 C 1.047(2) 1.0128(16) 0.691(2) 0.155(8) Uani 1 1 d . . .
H16A H 1.0485 0.9549 0.6206 0.185 Uiso 1 1 calc R . .
C17 C 1.164(3) 1.098(3) 0.778(4) 0.37(3) Uani 1 1 d . . .
H17A H 1.2058 1.1437 0.7486 0.549 Uiso 1 1 calc R . .
H17B H 1.2066 1.0558 0.7986 0.549 Uiso 1 1 calc R . .
H17C H 1.1622 1.1532 0.8475 0.549 Uiso 1 1 calc R . .
C18 C 0.998(3) 1.079(3) 0.663(3) 0.31(2) Uani 1 1 d . . .
H18A H 1.0417 1.1179 0.6300 0.465 Uiso 1 1 calc R . .
H18B H 1.0038 1.1415 0.7341 0.465 Uiso 1 1 calc R . .
H18C H 0.9138 1.0261 0.6059 0.465 Uiso 1 1 calc R . .
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'
Se Se -0.0929 2.2259 '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
_geom_angle_publ_flag
O1 Zn1 Zn3 53.97(7) . 2_766 ?
O1 Zn1 Zn4 53.60(7) . 2_766 ?
Zn3 Zn1 Zn4 89.24(9) 2_766 2_766 ?
O1 Zn1 Zn2 53.13(7) . 2_766 ?
Zn3 Zn1 Zn2 87.90(10) 2_766 2_766 ?
Zn4 Zn1 Zn2 87.86(10) 2_766 2_766 ?
O1 Zn1 Se2 112.63(9) . 2_766 ?
Zn3 Zn1 Se2 107.66(10) 2_766 2_766 ?
Zn4 Zn1 Se2 145.27(11) 2_766 2_766 ?
Zn2 Zn1 Se2 63.45(8) 2_766 2_766 ?
O1 Zn1 Se4 111.16(9) . . ?
Zn3 Zn1 Se4 62.29(8) 2_766 . ?
Zn4 Zn1 Se4 106.21(9) 2_766 . ?
Zn2 Zn1 Se4 146.15(11) 2_766 . ?
Se2 Zn1 Se4 108.51(9) 2_766 . ?
O1 Zn1 Se5 108.88(9) . . ?
Zn3 Zn1 Se5 146.43(11) 2_766 . ?
Zn4 Zn1 Se5 60.53(7) 2_766 . ?
Zn2 Zn1 Se5 103.97(10) 2_766 . ?
Se2 Zn1 Se5 105.73(8) 2_766 . ?
Se4 Zn1 Se5 109.77(9) . . ?
O1 Zn2 Zn4 55.60(7) . 2_766 ?
O1 Zn2 Zn3 55.03(7) . 2_766 ?
Zn4 Zn2 Zn3 92.59(10) 2_766 2_766 ?
O1 Zn2 Zn1 54.56(7) . 2_766 ?
Zn4 Zn2 Zn1 89.34(10) 2_766 2_766 ?
Zn3 Zn2 Zn1 89.42(10) 2_766 2_766 ?
O1 Zn2 Se6 111.02(9) . 2_766 ?
Zn4 Zn2 Se6 148.22(11) 2_766 2_766 ?
Zn3 Zn2 Se6 60.48(8) 2_766 2_766 ?
Zn1 Zn2 Se6 105.71(10) 2_766 2_766 ?
O1 Zn2 Se2 110.52(9) . . ?
Zn4 Zn2 Se2 106.10(10) 2_766 . ?
Zn3 Zn2 Se2 142.90(11) 2_766 . ?
Zn1 Zn2 Se2 59.78(7) 2_766 . ?
Se6 Zn2 Se2 105.66(8) 2_766 . ?
O1 Zn2 Se3 110.45(8) . . ?
Zn4 Zn2 Se3 59.90(7) 2_766 . ?
Zn3 Zn2 Se3 107.71(10) 2_766 . ?
Zn1 Zn2 Se3 144.60(10) 2_766 . ?
Se6 Zn2 Se3 109.69(8) 2_766 . ?
Se2 Zn2 Se3 109.38(8) . . ?
O1 Zn3 Zn4 55.71(7) . 2_766 ?
O1 Zn3 Zn2 54.84(7) . 2_766 ?
Zn4 Zn3 Zn2 92.39(10) 2_766 2_766 ?
O1 Zn3 Zn1 55.25(7) . 2_766 ?
Zn4 Zn3 Zn1 90.60(10) 2_766 2_766 ?
Zn2 Zn3 Zn1 89.21(10) 2_766 2_766 ?
O1 Zn3 Se6 114.60(10) . . ?
Zn4 Zn3 Se6 109.05(10) 2_766 . ?
Zn2 Zn3 Se6 64.57(8) 2_766 . ?
Zn1 Zn3 Se6 147.09(11) 2_766 . ?
O1 Zn3 Se4 112.65(9) . 2_766 ?
Zn4 Zn3 Se4 147.90(11) 2_766 2_766 ?
Zn2 Zn3 Se4 103.92(10) 2_766 2_766 ?
Zn1 Zn3 Se4 62.67(8) 2_766 2_766 ?
Se6 Zn3 Se4 102.93(8) . 2_766 ?
O1 Zn3 Se1 112.56(9) . . ?
Zn4 Zn3 Se1 62.73(8) 2_766 . ?
Zn2 Zn3 Se1 151.59(11) 2_766 . ?
Zn1 Zn3 Se1 103.69(9) 2_766 . ?
Se6 Zn3 Se1 108.72(9) . . ?
Se4 Zn3 Se1 104.50(8) 2_766 . ?
O1 Zn4 Zn3 55.40(7) . 2_766 ?
O1 Zn4 Zn2 55.10(7) . 2_766 ?
Zn3 Zn4 Zn2 92.09(10) 2_766 2_766 ?
O1 Zn4 Zn1 54.57(7) . 2_766 ?
Zn3 Zn4 Zn1 90.28(10) 2_766 2_766 ?
Zn2 Zn4 Zn1 88.83(10) 2_766 2_766 ?
O1 Zn4 Se3 115.75(9) . 2_766 ?
Zn3 Zn4 Se3 153.05(11) 2_766 2_766 ?
Zn2 Zn4 Se3 66.21(8) 2_766 2_766 ?
Zn1 Zn4 Se3 104.37(9) 2_766 2_766 ?
O1 Zn4 Se5 112.49(9) . 2_766 ?
Zn3 Zn4 Se5 104.33(9) 2_766 2_766 ?
Zn2 Zn4 Se5 147.37(11) 2_766 2_766 ?
Zn1 Zn4 Se5 63.54(7) 2_766 2_766 ?
Se3 Zn4 Se5 102.45(8) 2_766 2_766 ?
O1 Zn4 Se1 113.28(9) . 2_766 ?
Zn3 Zn4 Se1 63.83(8) 2_766 2_766 ?
Zn2 Zn4 Se1 106.19(10) 2_766 2_766 ?
Zn1 Zn4 Se1 149.93(11) 2_766 2_766 ?
Se3 Zn4 Se1 105.52(8) 2_766 2_766 ?
Se5 Zn4 Se1 106.34(8) 2_766 2_766 ?
P1 Se1 Zn4 102.14(10) . 2_766 ?
P1 Se1 Zn3 102.27(11) . . ?
Zn4 Se1 Zn3 53.44(7) 2_766 . ?
P1 Se2 Zn1 101.68(10) . 2_766 ?
P1 Se2 Zn2 100.75(10) . . ?
Zn1 Se2 Zn2 56.77(7) 2_766 . ?
P2 Se3 Zn4 107.29(9) . 2_766 ?
P2 Se3 Zn2 97.08(9) . . ?
Zn4 Se3 Zn2 53.89(6) 2_766 . ?
P2 Se4 Zn3 101.68(9) . 2_766 ?
P2 Se4 Zn1 102.40(9) . . ?
Zn3 Se4 Zn1 55.04(7) 2_766 . ?
P3 Se5 Zn4 105.08(11) . 2_766 ?
P3 Se5 Zn1 98.89(10) . . ?
Zn4 Se5 Zn1 55.93(7) 2_766 . ?
P3 Se6 Zn3 103.16(10) . . ?
P3 Se6 Zn2 98.62(11) . 2_766 ?
Zn3 Se6 Zn2 54.94(7) . 2_766 ?
O3 P1 O2 104.6(11) . . ?
O3 P1 Se1 110.6(6) . . ?
O2 P1 Se1 104.1(6) . . ?
O3 P1 Se2 111.7(5) . . ?
O2 P1 Se2 107.3(6) . . ?
Se1 P1 Se2 117.42(13) . . ?
O5 P2 O4 100.7(4) . . ?
O5 P2 Se3 111.2(3) . . ?
O4 P2 Se3 105.1(3) . . ?
O5 P2 Se4 109.7(3) . . ?
O4 P2 Se4 112.8(3) . . ?
Se3 P2 Se4 116.30(12) . . ?
O7 P3 O6 98.4(6) . . ?
O7 P3 Se5 110.1(4) . . ?
O6 P3 Se5 106.6(4) . . ?
O7 P3 Se6 113.7(5) . . ?
O6 P3 Se6 109.8(4) . . ?
Se5 P3 Se6 116.48(13) . . ?
Zn2 O1 Zn2 180.000(1) . 2_766 ?
Zn2 O1 Zn3 109.87(8) . . ?
Zn2 O1 Zn3 70.13(8) 2_766 . ?
Zn2 O1 Zn3 70.13(8) . 2_766 ?
Zn2 O1 Zn3 109.87(8) 2_766 2_766 ?
Zn3 O1 Zn3 180.0 . 2_766 ?
Zn2 O1 Zn4 69.31(8) . 2_766 ?
Zn2 O1 Zn4 110.69(8) 2_766 2_766 ?
Zn3 O1 Zn4 68.89(8) . 2_766 ?
Zn3 O1 Zn4 111.11(8) 2_766 2_766 ?
Zn2 O1 Zn4 110.69(8) . . ?
Zn2 O1 Zn4 69.31(8) 2_766 . ?
Zn3 O1 Zn4 111.11(8) . . ?
Zn3 O1 Zn4 68.89(8) 2_766 . ?
Zn4 O1 Zn4 180.000(1) 2_766 . ?
Zn2 O1 Zn1 107.68(8) . . ?
Zn2 O1 Zn1 72.32(8) 2_766 . ?
Zn3 O1 Zn1 109.22(8) . . ?
Zn3 O1 Zn1 70.78(8) 2_766 . ?
Zn4 O1 Zn1 71.83(8) 2_766 . ?
Zn4 O1 Zn1 108.17(8) . . ?
Zn2 O1 Zn1 72.32(8) . 2_766 ?
Zn2 O1 Zn1 107.68(8) 2_766 2_766 ?
Zn3 O1 Zn1 70.78(8) . 2_766 ?
Zn3 O1 Zn1 109.22(8) 2_766 2_766 ?
Zn4 O1 Zn1 108.17(8) 2_766 2_766 ?
Zn4 O1 Zn1 71.83(8) . 2_766 ?
Zn1 O1 Zn1 180.000(1) . 2_766 ?
C1 O2 P1 132.8(16) . . ?
C4 O3 P1 133.8(12) . . ?
C7 O4 P2 123.4(8) . . ?
C10 O5 P2 122.5(7) . . ?
C13 O6 P3 117.3(15) . . ?
C16 O7 P3 124.1(11) . . ?
O2 C1 C2 119(3) . . ?
O2 C1 C3 100(3) . . ?
C2 C1 C3 109(3) . . ?
O3 C4 C6 111.6(16) . . ?
O3 C4 C5 109(2) . . ?
C6 C4 C5 112.9(17) . . ?
C9 C7 O4 111.2(15) . . ?
C9 C7 C8 108.9(19) . . ?
O4 C7 C8 105.7(13) . . ?
O5 C10 C12 107.3(14) . . ?
O5 C10 C11 107.1(13) . . ?
C12 C10 C11 111.7(17) . . ?
O6 C13 C14 108.0(18) . . ?
O6 C13 C15 103(2) . . ?
C14 C13 C15 109(2) . . ?
C18 C16 C17 105(2) . . ?
C18 C16 O7 114(2) . . ?
C17 C16 O7 109(3) . . ?
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
Zn1 O1 2.004(2) . ?
Zn1 Zn3 2.303(3) 2_766 ?
Zn1 Zn4 2.336(3) 2_766 ?
Zn1 Zn2 2.343(3) 2_766 ?
Zn1 Se2 2.421(2) 2_766 ?
Zn1 Se4 2.496(2) . ?
Zn1 Se5 2.525(2) . ?
Zn2 O1 1.9674(18) . ?
Zn2 Zn4 2.244(3) 2_766 ?
Zn2 Zn3 2.263(3) 2_766 ?
Zn2 Zn1 2.343(3) 2_766 ?
Zn2 Se6 2.497(2) 2_766 ?
Zn2 Se2 2.506(2) . ?
Zn2 Se3 2.542(2) . ?
Zn3 O1 1.9721(19) . ?
Zn3 Zn4 2.235(3) 2_766 ?
Zn3 Zn2 2.263(3) 2_766 ?
Zn3 Zn1 2.303(3) 2_766 ?
Zn3 Se6 2.406(2) . ?
Zn3 Se4 2.487(2) 2_766 ?
Zn3 Se1 2.497(2) . ?
Zn4 O1 1.9792(19) . ?
Zn4 Zn3 2.235(3) 2_766 ?
Zn4 Zn2 2.244(3) 2_766 ?
Zn4 Zn1 2.336(3) 2_766 ?
Zn4 Se3 2.403(2) 2_766 ?
Zn4 Se5 2.455(2) 2_766 ?
Zn4 Se1 2.473(2) 2_766 ?
Se1 P1 2.125(3) . ?
Se1 Zn4 2.473(2) 2_766 ?
Se2 P1 2.125(3) . ?
Se2 Zn1 2.421(2) 2_766 ?
Se3 P2 2.136(3) . ?
Se3 Zn4 2.403(2) 2_766 ?
Se4 P2 2.151(3) . ?
Se4 Zn3 2.487(2) 2_766 ?
Se5 P3 2.119(3) . ?
Se5 Zn4 2.455(2) 2_766 ?
Se6 P3 2.150(4) . ?
Se6 Zn2 2.497(2) 2_766 ?
P1 O3 1.491(12) . ?
P1 O2 1.597(13) . ?
P2 O5 1.572(8) . ?
P2 O4 1.578(8) . ?
P3 O7 1.555(9) . ?
P3 O6 1.604(10) . ?
O1 Zn2 1.9674(18) 2_766 ?
O1 Zn3 1.972(2) 2_766 ?
O1 Zn4 1.9792(19) 2_766 ?
O1 Zn1 2.004(2) 2_766 ?
O2 C1 1.41(3) . ?
O3 C4 1.43(2) . ?
O4 C7 1.458(13) . ?
O5 C10 1.458(15) . ?
O6 C13 1.36(2) . ?
O7 C16 1.42(2) . ?
C1 C2 1.56(4) . ?
C1 C3 1.59(5) . ?
C4 C6 1.45(2) . ?
C4 C5 1.48(2) . ?
C7 C9 1.41(3) . ?
C7 C8 1.49(2) . ?
C10 C12 1.48(2) . ?
C10 C11 1.52(2) . ?
C13 C14 1.57(3) . ?
C13 C15 1.62(3) . ?
C16 C18 1.34(3) . ?
C16 C17 1.38(4) . ?
