#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:36:23 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179538 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/07/4500736.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_4500736
loop_
_publ_author_name
'Qu, Ling-Ling'
'Zhu, You-Long'
'Li, Yi-Zhi'
'Du, Hong-Bin'
'You, Xiao-Zeng'
_publ_section_title
;
 Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination
 Polymers with a Semirigid Tetracarboxylic Acid
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2444
_journal_paper_doi               10.1021/cg200229h
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety
' 2(C30 H22 O12 Zn2), 2(H O0.50), 2(H O0.50), 2(H O0.50), 2(H2 O)'
_chemical_formula_sum            'C60 H54 O29 Zn4'
_chemical_formula_weight         1500.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.0680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3243(9)
_cell_length_b                   26.939(3)
_cell_length_c                   14.4535(14)
_cell_measurement_reflns_used    3726
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      21.50
_cell_measurement_theta_min      2.31
_cell_volume                     3625.3(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0808
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19776
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    1.385
_exptl_absorpt_correction_T_max  0.7504
_exptl_absorpt_correction_T_min  0.6978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1532
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.316
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.04P)²+0.22P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.0987
_reflns_number_gt                4513
_reflns_number_total             7104
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200229h_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3625.4(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4500736
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
O6W O 0.6179(5) 0.7743(2) 0.7853(4) 0.0537(14) Uani 0.50 1 d P
H6X H 0.6702 0.7978 0.8071 0.064 Uiso 0.50 1 d PR
H6Y H 0.5585 0.7856 0.7438 0.064 Uiso 0.50 1 d PR
C1 C 1.0556(4) 0.68450(12) 0.6451(2) 0.0369(7) Uani 1 1 d .
C2 C 0.9283(4) 0.66181(13) 0.6189(2) 0.0442(9) Uani 1 1 d .
H2 H 0.8959 0.6351 0.6528 0.053 Uiso 1 1 calc R
C3 C 0.8480(4) 0.67861(13) 0.5417(2) 0.0423(8) Uani 1 1 d .
C4 C 0.8937(4) 0.71928(12) 0.4906(2) 0.0402(8) Uani 1 1 d .
H4 H 0.8392 0.7308 0.4393 0.048 Uiso 1 1 calc R
C5 C 1.0230(4) 0.74198(12) 0.5188(2) 0.0378(8) Uani 1 1 d .
C6 C 1.1050(4) 0.72471(12) 0.5947(2) 0.0381(8) Uani 1 1 d .
H6 H 1.1922 0.7397 0.6120 0.046 Uiso 1 1 calc R
C7 C 1.1331(4) 0.66849(13) 0.7319(2) 0.0407(8) Uani 1 1 d .
C8 C 1.0764(4) 0.78636(12) 0.4674(2) 0.0393(8) Uani 1 1 d .
C9 C 0.6719(4) 0.61753(14) 0.5643(3) 0.0465(9) Uani 1 1 d .
H9A H 0.6633 0.6282 0.6279 0.056 Uiso 1 1 calc R
H9B H 0.7402 0.5904 0.5637 0.056 Uiso 1 1 calc R
C10 C 0.5265(4) 0.60093(13) 0.5224(2) 0.0430(8) Uani 1 1 d .
C11 C 0.3984(5) 0.61693(15) 0.5559(3) 0.0537(10) Uani 1 1 d .
H11 H 0.3969 0.6388 0.6056 0.064 Uiso 1 1 calc R
C12 C 0.2718(4) 0.59929(15) 0.5127(2) 0.0484(9) Uani 1 1 d .
H12 H 0.1861 0.6106 0.5350 0.058 Uiso 1 1 calc R
C13 C 0.2623(4) 0.56611(13) 0.4389(2) 0.0418(8) Uani 1 1 d .
C14 C 0.3889(5) 0.55005(15) 0.4027(3) 0.0578(11) Uani 1 1 d .
H14 H 0.3929 0.5324 0.3476 0.069 Uiso 1 1 calc R
C15 C 0.5074(5) 0.56319(16) 0.4574(3) 0.0658(12) Uani 1 1 d .
H15 H 0.5882 0.5437 0.4498 0.079 Uiso 1 1 calc R
C16 C 0.1254(4) 0.54543(13) 0.3941(3) 0.0430(8) Uani 1 1 d .
C17 C -0.0012(4) 0.56371(15) 0.4267(3) 0.0505(9) Uani 1 1 d .
H17 H -0.0047 0.5841 0.4784 0.061 Uiso 1 1 calc R
C18 C -0.1210(5) 0.54857(15) 0.3749(3) 0.0569(10) Uani 1 1 d .
H18 H -0.2040 0.5669 0.3828 0.068 Uiso 1 1 calc R
C19 C -0.1346(4) 0.50899(13) 0.3113(2) 0.0432(8) Uani 1 1 d .
C20 C -0.0037(4) 0.49197(15) 0.2829(3) 0.0493(9) Uani 1 1 d .
H20 H -0.0011 0.4687 0.2356 0.059 Uiso 1 1 calc R
C21 C 0.1238(4) 0.50962(13) 0.3251(2) 0.0435(8) Uani 1 1 d .
H21 H 0.2106 0.4970 0.3065 0.052 Uiso 1 1 calc R
C22 C -0.2719(4) 0.48898(13) 0.2695(2) 0.0422(8) Uani 1 1 d .
H22A H -0.2562 0.4573 0.2400 0.051 Uiso 1 1 calc R
H22B H -0.3413 0.4845 0.3165 0.051 Uiso 1 1 calc R
C23 C -0.4528(4) 0.51671(12) 0.1572(2) 0.0399(8) Uani 1 1 d .
C24 C -0.5003(4) 0.55366(13) 0.0947(2) 0.0379(8) Uani 1 1 d .
H24 H -0.4434 0.5813 0.0850 0.045 Uiso 1 1 calc R
C25 C -0.6328(4) 0.54869(12) 0.0474(2) 0.0392(8) Uani 1 1 d .
C26 C -0.7193(4) 0.50855(12) 0.0630(2) 0.0375(8) Uani 1 1 d .
H26 H -0.8091 0.5062 0.0320 0.045 Uiso 1 1 calc R
C27 C -0.6734(4) 0.47123(12) 0.1250(2) 0.0373(7) Uani 1 1 d .
C28 C -0.5400(4) 0.47774(13) 0.1736(2) 0.0410(8) Uani 1 1 d .
H28 H -0.5107 0.4546 0.2185 0.049 Uiso 1 1 calc R
C29 C -0.6866(4) 0.58810(13) -0.0178(2) 0.0396(8) Uani 1 1 d .
C30 C -0.7666(4) 0.42891(12) 0.1416(2) 0.0394(8) Uani 1 1 d .
O1 O 1.2286(3) 0.69671(9) 0.76713(16) 0.0424(6) Uani 1 1 d .
O2 O 1.0999(3) 0.62816(8) 0.76319(16) 0.0411(6) Uani 1 1 d .
O3 O 0.7181(3) 0.65724(9) 0.51001(16) 0.0455(6) Uani 1 1 d .
O4 O -0.3230(3) 0.52597(9) 0.20094(16) 0.0419(5) Uani 1 1 d .
O5 O -0.7331(3) 0.39478(9) 0.19870(16) 0.0424(6) Uani 1 1 d .
O6 O -0.8885(3) 0.42869(8) 0.09659(16) 0.0401(5) Uani 1 1 d .
O7 O -0.8158(2) 0.58584(9) -0.04050(16) 0.0429(6) Uani 1 1 d .
O8 O 1.2068(3) 0.79468(9) 0.47055(16) 0.0413(6) Uani 1 1 d .
O9 O 0.9783(3) 0.81395(9) 0.42796(16) 0.0452(6) Uani 1 1 d .
O10 O -0.6002(3) 0.62005(9) -0.04558(16) 0.0427(6) Uani 1 1 d .
O1W O 1.4906(3) 0.65580(9) 0.77956(16) 0.0466(6) Uani 1 1 d .
H1X H 1.4891 0.6246 0.7707 0.056 Uiso 1 1 d R
H1Y H 1.5761 0.6665 0.7878 0.056 Uiso 1 1 d R
O2W O 1.4816(3) 0.73540(9) 0.91648(17) 0.0503(6) Uani 1 1 d .
H2X H 1.5260 0.7432 0.8687 0.060 Uiso 1 1 d R
H2Y H 1.5446 0.7344 0.9612 0.060 Uiso 1 1 d R
O4W O 0.8621(7) 0.6906(2) 0.2245(4) 0.0487(15) Uani 0.40 1 d P
H4X H 0.8031 0.7144 0.2148 0.058 Uiso 0.40 1 d PR
H4Y H 0.9347 0.6950 0.1923 0.058 Uiso 0.40 1 d PR
O5W O 0.9414(10) 0.6144(3) 0.1398(5) 0.050(2) Uani 0.30 1 d P
H5X H 0.9132 0.6163 0.0830 0.060 Uiso 0.30 1 d PR
H5Y H 0.9061 0.5886 0.1636 0.060 Uiso 0.30 1 d PR
O3W O 0.2868(9) 0.8266(3) 0.7562(5) 0.046(2) Uani 0.30 1 d P
H3X H 0.3010 0.8536 0.7278 0.069 Uiso 0.30 1 d PR
H3Y H 0.2206 0.8307 0.7937 0.069 Uiso 0.30 1 d PR
O8W O 0.7246(6) 0.71012(18) 0.7578(3) 0.0487(12) Uani 0.50 1 d P
H8X H 0.8021 0.7041 0.7315 0.058 Uiso 0.50 1 d PR
H8Y H 0.7400 0.7321 0.7993 0.058 Uiso 0.50 1 d PR
O7W O 0.6808(6) 0.80058(18) 0.5726(4) 0.0517(13) Uani 0.50 1 d P
H7X H 0.6650 0.7939 0.6286 0.062 Uiso 0.50 1 d PR
H7Y H 0.7643 0.8130 0.5698 0.062 Uiso 0.50 1 d PR
Zn1 Zn 1.35235(4) 0.679037(15) 0.87819(3) 0.04068(12) Uani 1 1 d .
Zn2 Zn 1.03233(5) 0.620401(14) 0.88807(3) 0.03928(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'
Zn Zn 0.2839 1.4301 '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
H6X O6W H6Y 109.5 . .
C2 C1 C6 120.5(3) . .
C2 C1 C7 118.8(3) . .
C6 C1 C7 120.6(3) . .
C1 C2 C3 120.0(3) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C2 C3 O3 123.5(3) . .
C2 C3 C4 120.9(3) . .
O3 C3 C4 115.6(3) . .
C5 C4 C3 118.2(3) . .
C5 C4 H4 120.9 . .
C3 C4 H4 120.9 . .
C6 C5 C4 121.1(3) . .
C6 C5 C8 118.3(3) . .
C4 C5 C8 120.5(3) . .
C5 C6 C1 119.3(3) . .
C5 C6 H6 120.3 . .
C1 C6 H6 120.3 . .
O2 C7 O1 125.1(3) . .
O2 C7 C1 116.8(3) . .
O1 C7 C1 118.1(3) . .
O8 C8 O9 125.9(3) . .
O8 C8 C5 118.5(3) . .
O9 C8 C5 115.5(3) . .
O3 C9 C10 107.1(3) . .
O3 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
O3 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
C11 C10 C15 112.5(4) . .
C11 C10 C9 122.5(3) . .
C15 C10 C9 124.3(4) . .
C10 C11 C12 117.8(4) . .
C10 C11 H11 121.1 . .
C12 C11 H11 121.1 . .
C11 C12 C13 125.6(4) . .
C11 C12 H12 117.2 . .
C13 C12 H12 117.2 . .
C14 C13 C12 118.0(4) . .
C14 C13 C16 116.2(3) . .
C12 C13 C16 125.8(4) . .
C15 C14 C13 112.2(4) . .
C15 C14 H14 123.9 . .
C13 C14 H14 123.9 . .
C14 C15 C10 130.5(4) . .
C14 C15 H15 114.8 . .
C10 C15 H15 114.8 . .
C17 C16 C21 121.0(4) . .
C17 C16 C13 116.1(3) . .
C21 C16 C13 122.9(3) . .
C18 C17 C16 113.1(4) . .
C18 C17 H17 123.5 . .
C16 C17 H17 123.5 . .
C17 C18 C19 128.5(4) . .
C17 C18 H18 115.7 . .
C19 C18 H18 115.7 . .
C20 C19 C18 113.1(4) . .
C20 C19 C22 120.8(3) . .
C18 C19 C22 125.8(4) . .
C19 C20 C21 120.2(4) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C16 C21 C20 122.0(4) . .
C16 C21 H21 119.0 . .
C20 C21 H21 119.0 . .
O4 C22 C19 105.6(3) . .
O4 C22 H22A 110.6 . .
C19 C22 H22A 110.6 . .
O4 C22 H22B 110.6 . .
C19 C22 H22B 110.6 . .
H22A C22 H22B 108.7 . .
C28 C23 O4 126.0(3) . .
C28 C23 C24 119.4(3) . .
O4 C23 C24 114.4(3) . .
C25 C24 C23 119.5(3) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
C26 C25 C24 120.7(3) . .
C26 C25 C29 118.9(3) . .
C24 C25 C29 120.3(3) . .
C25 C26 C27 120.5(3) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C26 C27 C28 117.6(3) . .
C26 C27 C30 120.1(3) . .
C28 C27 C30 122.2(3) . .
C23 C28 C27 122.1(3) . .
C23 C28 H28 119.0 . .
C27 C28 H28 119.0 . .
O7 C29 O10 125.6(3) . .
O7 C29 C25 115.1(3) . .
O10 C29 C25 119.3(3) . .
O5 C30 O6 120.7(3) . .
O5 C30 C27 123.1(3) . .
O6 C30 C27 116.1(3) . .
C7 O1 Zn1 123.4(2) . .
C7 O2 Zn2 122.5(2) . .
C3 O3 C9 114.6(3) . .
C23 O4 C22 116.1(3) . .
C30 O6 Zn2 123.8(2) . 3_566
C29 O7 Zn2 142.3(2) . 1_354
C8 O8 Zn1 135.5(2) . 4_575
C8 O9 Zn2 118.0(2) . 4_575
C29 O10 Zn1 127.0(2) . 1_354
Zn1 O1W H1X 113.4 . .
Zn1 O1W H1Y 114.5 . .
H1X O1W H1Y 111.4 . .
Zn1 O2W H2X 106.1 . .
Zn1 O2W H2Y 124.6 . .
H2X O2W H2Y 106.2 . .
H4X O4W H4Y 109.5 . .
H5X O5W H5Y 109.5 . .
H3X O3W H3Y 109.5 . .
H8X O8W H8Y 109.5 . .
H7X O7W H7Y 109.5 . .
O10 Zn1 O1 138.53(10) 1_756 .
O10 Zn1 O2W 110.12(11) 1_756 .
O1 Zn1 O2W 110.96(10) . .
O10 Zn1 O1W 90.67(10) 1_756 .
O1 Zn1 O1W 82.66(10) . .
O2W Zn1 O1W 91.83(10) . .
O10 Zn1 O8 92.89(10) 1_756 4_576
O1 Zn1 O8 93.81(10) . 4_576
O2W Zn1 O8 88.17(10) . 4_576
O1W Zn1 O8 176.21(10) . 4_576
O6 Zn2 O9 113.81(10) 3_566 4_576
O6 Zn2 O7 95.91(10) 3_566 1_756
O9 Zn2 O7 118.25(10) 4_576 1_756
O6 Zn2 O2 116.44(10) 3_566 .
O9 Zn2 O2 106.22(10) 4_576 .
O7 Zn2 O2 106.26(10) 1_756 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O6W H6X 0.8501 .
O6W H6Y 0.8499 .
C1 C2 1.370(5) .
C1 C6 1.397(4) .
C1 C7 1.479(5) .
C2 C3 1.385(5) .
C2 H2 0.9300 .
C3 O3 1.396(4) .
C3 C4 1.401(5) .
C4 C5 1.393(5) .
C4 H4 0.9300 .
C5 C6 1.384(5) .
C5 C8 1.506(4) .
C6 H6 0.9300 .
C7 O2 1.223(4) .
C7 O1 1.258(4) .
C8 O8 1.234(4) .
C8 O9 1.288(4) .
C9 O3 1.408(4) .
C9 C10 1.522(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.381(6) .
C10 C15 1.389(5) .
C11 C12 1.389(5) .
C11 H11 0.9300 .
C12 C13 1.391(5) .
C12 H12 0.9300 .
C13 C14 1.385(5) .
C13 C16 1.506(5) .
C14 C15 1.371(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.385(5) .
C16 C21 1.387(5) .
C17 C18 1.373(5) .
C17 H17 0.9300 .
C18 C19 1.408(5) .
C18 H18 0.9300 .
C19 C20 1.386(5) .
C19 C22 1.487(5) .
C20 C21 1.390(5) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O4 1.467(4) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C28 1.357(5) .
C23 O4 1.358(4) .
C23 C24 1.400(4) .
C24 C25 1.386(5) .
C24 H24 0.9300 .
C25 C26 1.375(5) .
C25 C29 1.489(4) .
C26 C27 1.399(4) .
C26 H26 0.9300 .
C27 C28 1.406(5) .
C27 C30 1.461(5) .
C28 H28 0.9300 .
C29 O7 1.233(4) .
C29 O10 1.259(4) .
C30 O5 1.263(4) .
C30 O6 1.280(4) .
O1 Zn1 1.984(2) .
O2 Zn2 1.954(2) .
O6 Zn2 1.905(2) 3_566
O7 Zn2 1.945(2) 1_354
O8 Zn1 2.078(2) 4_575
O9 Zn2 1.935(2) 4_575
O10 Zn1 1.970(2) 1_354
O1W Zn1 2.070(2) .
O1W H1X 0.8500 .
O1W H1Y 0.8500 .
O2W Zn1 1.998(3) .
O2W H2X 0.8500 .
O2W H2Y 0.8500 .
O4W H4X 0.8499 .
O4W H4Y 0.8500 .
O5W H5X 0.8500 .
O5W H5Y 0.8501 .
O3W H3X 0.8500 .
O3W H3Y 0.8500 .
O8W H8X 0.8500 .
O8W H8Y 0.8499 .
O7W H7X 0.8500 .
O7W H7Y 0.8500 .
Zn1 O10 1.970(2) 1_756
Zn1 O8 2.078(2) 4_576
Zn2 O6 1.905(2) 3_566
Zn2 O9 1.935(2) 4_576
Zn2 O7 1.945(2) 1_756
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 0.3(5) .
C7 C1 C2 C3 175.0(3) .
C1 C2 C3 O3 179.4(3) .
C1 C2 C3 C4 -1.2(6) .
C2 C3 C4 C5 0.8(5) .
O3 C3 C4 C5 -179.7(3) .
C3 C4 C5 C6 0.5(5) .
C3 C4 C5 C8 -179.0(3) .
C4 C5 C6 C1 -1.4(5) .
C8 C5 C6 C1 178.2(3) .
C2 C1 C6 C5 1.0(5) .
C7 C1 C6 C5 -173.7(3) .
C2 C1 C7 O2 18.1(5) .
C6 C1 C7 O2 -167.1(3) .
C2 C1 C7 O1 -162.9(3) .
C6 C1 C7 O1 11.9(5) .
C6 C5 C8 O8 25.9(5) .
C4 C5 C8 O8 -154.5(3) .
C6 C5 C8 O9 -150.3(3) .
C4 C5 C8 O9 29.3(5) .
O3 C9 C10 C11 -96.8(4) .
O3 C9 C10 C15 93.3(4) .
C15 C10 C11 C12 -8.8(5) .
C9 C10 C11 C12 -179.8(3) .
C10 C11 C12 C13 0.9(6) .
C11 C12 C13 C14 -2.1(6) .
C11 C12 C13 C16 177.6(4) .
C12 C13 C14 C15 10.9(6) .
C16 C13 C14 C15 -168.8(4) .
C13 C14 C15 C10 -22.9(7) .
C11 C10 C15 C14 21.8(7) .
C9 C10 C15 C14 -167.4(5) .
C14 C13 C16 C17 -176.3(4) .
C12 C13 C16 C17 4.0(5) .
C14 C13 C16 C21 4.6(5) .
C12 C13 C16 C21 -175.1(4) .
C21 C16 C17 C18 -9.3(6) .
C13 C16 C17 C18 171.7(3) .
C16 C17 C18 C19 17.5(6) .
C17 C18 C19 C20 -16.8(6) .
C17 C18 C19 C22 168.7(4) .
C18 C19 C20 C21 7.7(5) .
C22 C19 C20 C21 -177.5(3) .
C17 C16 C21 C20 2.7(6) .
C13 C16 C21 C20 -178.3(3) .
C19 C20 C21 C16 -1.9(6) .
C20 C19 C22 O4 -100.2(4) .
C18 C19 C22 O4 73.9(4) .
C28 C23 C24 C25 -3.0(5) .
O4 C23 C24 C25 -178.7(3) .
C23 C24 C25 C26 1.7(5) .
C23 C24 C25 C29 178.7(3) .
C24 C25 C26 C27 -1.8(5) .
C29 C25 C26 C27 -178.9(3) .
C25 C26 C27 C28 3.2(5) .
C25 C26 C27 C30 179.5(3) .
O4 C23 C28 C27 179.7(3) .
C24 C23 C28 C27 4.6(5) .
C26 C27 C28 C23 -4.7(5) .
C30 C27 C28 C23 179.1(3) .
C26 C25 C29 O7 12.4(5) .
C24 C25 C29 O7 -164.7(3) .
C26 C25 C29 O10 -167.2(3) .
C24 C25 C29 O10 15.7(5) .
C26 C27 C30 O5 -177.8(3) .
C28 C27 C30 O5 -1.7(5) .
C26 C27 C30 O6 0.1(5) .
C28 C27 C30 O6 176.2(3) .
O2 C7 O1 Zn1 3.5(5) .
C1 C7 O1 Zn1 -175.5(2) .
O1 C7 O2 Zn2 58.4(4) .
C1 C7 O2 Zn2 -122.7(3) .
C2 C3 O3 C9 1.6(5) .
C4 C3 O3 C9 -177.9(3) .
C10 C9 O3 C3 177.1(3) .
C28 C23 O4 C22 2.5(5) .
C24 C23 O4 C22 177.8(3) .
C19 C22 O4 C23 -176.4(3) .
O5 C30 O6 Zn2 1.7(5) 3_566
C27 C30 O6 Zn2 -176.3(2) 3_566
O10 C29 O7 Zn2 -4.2(7) 1_354
C25 C29 O7 Zn2 176.3(3) 1_354
O9 C8 O8 Zn1 -41.3(6) 4_575
C5 C8 O8 Zn1 143.0(3) 4_575
O8 C8 O9 Zn2 -11.2(5) 4_575
C5 C8 O9 Zn2 164.6(2) 4_575
O7 C29 O10 Zn1 6.7(5) 1_354
C25 C29 O10 Zn1 -173.8(2) 1_354
C7 O1 Zn1 O10 11.7(3) 1_756
C7 O1 Zn1 O2W -176.5(2) .
C7 O1 Zn1 O1W 94.3(3) .
C7 O1 Zn1 O8 -87.0(3) 4_576
C7 O2 Zn2 O6 144.4(3) 3_566
C7 O2 Zn2 O9 16.5(3) 4_576
C7 O2 Zn2 O7 -110.2(3) 1_756
