#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/92/7229254.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_7229254
loop_
_publ_author_name
'Gu, Lei'
'Zhang, Han-Zhong'
'Jiang, Wen-Hong'
'Hou, Guang-Feng'
'Yu, Ying-Hui'
'Ma, Dong-Sheng'
_publ_section_title
;
 A pair of novel Zn(ii) enantiomeric coordination polymers based on a
 chiral multicarboxylate ligand: synthesis, crystal structures and
 molecular recognition properties
;
_journal_issue                   72
_journal_name_full               'RSC Adv.'
_journal_page_first              45862
_journal_paper_doi               10.1039/C7RA08433A
_journal_volume                  7
_journal_year                    2017
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C24 H24 O18 Zn4, 2(H2 O)'
_chemical_formula_sum            'C24 H28 O20 Zn4'
_chemical_formula_weight         897.94
_space_group_IT_number           1
_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_block_doi                 10.5517/ccdc.csd.cc1pjwfj
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-07-28 deposited with the CCDC.
2017-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                105.0820(10)
_cell_angle_beta                 108.5090(10)
_cell_angle_gamma                95.9140(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1097(3)
_cell_length_b                   9.5040(4)
_cell_length_c                   10.9547(4)
_cell_measurement_reflns_used    7105
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3155
_cell_measurement_theta_min      3.1575
_cell_volume                     757.02(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      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13709
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.16
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.221
_exptl_absorpt_correction_T_max  0.5948
_exptl_absorpt_correction_T_min  0.5651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.523
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         5278
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0267
_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)+(0.0268P)²+0.1145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0598
_reflns_number_gt                4450
_reflns_number_total             5278
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ra08433a2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7229254
loop_
_symmetry_equiv_pos_as_xyz
'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
C1 C 0.7581(11) 0.2682(11) 0.9848(8) 0.0169(19) Uani 1 1 d .
C2 C 0.6886(11) 0.3188(10) 1.0986(7) 0.0140(19) Uani 1 1 d .
C3 C 0.7710(10) 0.2942(10) 1.2235(7) 0.0175(19) Uani 1 1 d .
H3 H 0.8720 0.2530 1.2364 0.021 Uiso 1 1 calc R
C4 C 0.7061(10) 0.3292(10) 1.3259(8) 0.0138(18) Uani 1 1 d U
C5 C 0.5541(10) 0.3992(10) 1.3023(8) 0.0140(18) Uani 1 1 d .
H5 H 0.5060 0.4234 1.3698 0.017 Uiso 1 1 calc R
C6 C 0.4762(11) 0.4322(10) 1.1827(7) 0.0144(19) Uani 1 1 d .
C7 C 0.5507(10) 0.3868(11) 1.0821(8) 0.021(2) Uani 1 1 d .
H7 H 0.5011 0.4052 1.0002 0.025 Uiso 1 1 calc R
C8 C 0.7694(11) 0.2868(10) 1.4504(8) 0.015(2) Uani 1 1 d .
C9 C 0.3217(12) 0.5003(12) 1.1617(8) 0.031(2) Uani 1 1 d .
H9A H 0.2431 0.4588 1.1999 0.037 Uiso 1 1 calc R
H9B H 0.3591 0.6063 1.2087 0.037 Uiso 1 1 calc R
C10 C 0.1608(7) 0.5979(7) 0.9819(6) 0.0255(13) Uani 1 1 d .
H10 H 0.1717 0.6795 1.0618 0.031 Uiso 1 1 calc R
C11 C 0.2675(8) 0.6497(7) 0.9022(6) 0.0486(16) Uani 1 1 d .
H11A H 0.2596 0.5673 0.8267 0.073 Uiso 1 1 calc R
H11B H 0.3895 0.6872 0.9604 0.073 Uiso 1 1 calc R
H11C H 0.2197 0.7270 0.8699 0.073 Uiso 1 1 calc R
C12 C -0.0291(12) 0.5426(12) 0.8902(9) 0.028(2) Uani 1 1 d .
C13 C -0.6771(11) 0.0792(11) 0.4799(8) 0.0176(19) Uani 1 1 d U
C14 C -0.6197(11) 0.0290(10) 0.3641(8) 0.018(2) Uani 1 1 d .
C15 C -0.6970(11) 0.0590(10) 0.2444(8) 0.0166(19) Uani 1 1 d .
H15 H -0.7951 0.1040 0.2303 0.020 Uiso 1 1 calc R
C16 C -0.6209(10) 0.0187(11) 0.1443(8) 0.019(2) Uani 1 1 d .
C17 C -0.4797(11) -0.0441(11) 0.1607(8) 0.021(2) Uani 1 1 d .
H17 H -0.4304 -0.0644 0.0937 0.026 Uiso 1 1 calc R
C18 C -0.4070(11) -0.0791(11) 0.2797(8) 0.020(2) Uani 1 1 d .
C19 C -0.4702(11) -0.0437(10) 0.3822(8) 0.018(2) Uani 1 1 d .
H19 H -0.4185 -0.0658 0.4620 0.022 Uiso 1 1 calc R
C20 C -0.6948(11) 0.0610(11) 0.0133(8) 0.020(2) Uani 1 1 d .
C21 C -0.2559(11) -0.1686(11) 0.2857(8) 0.022(2) Uani 1 1 d U
H21A H -0.3070 -0.2743 0.2483 0.027 Uiso 1 1 calc R
H21B H -0.1906 -0.1432 0.2314 0.027 Uiso 1 1 calc R
C22 C -0.0398(7) -0.2539(7) 0.4339(6) 0.0272(13) Uani 1 1 d .
H22 H -0.1193 -0.3396 0.4326 0.033 Uiso 1 1 calc R
C23 C 0.0364(7) -0.3058(6) 0.3244(5) 0.0385(14) Uani 1 1 d .
H23A H 0.1041 -0.2216 0.3169 0.058 Uiso 1 1 calc R
H23B H -0.0586 -0.3553 0.2396 0.058 Uiso 1 1 calc R
H23C H 0.1120 -0.3736 0.3473 0.058 Uiso 1 1 calc R
C24 C 0.1148(12) -0.1988(12) 0.5734(9) 0.025(2) Uani 1 1 d .
O19 O 0.8218(9) 0.9181(9) 0.9733(9) 0.055(2) Uani 1 1 d D
O1 O 0.6415(8) 0.2296(7) 0.8656(5) 0.0199(14) Uani 1 1 d .
O2 O 0.9183(8) 0.2681(8) 1.0127(6) 0.0237(15) Uani 1 1 d .
O3 O 0.9069(8) 0.2344(8) 1.4711(6) 0.0232(15) Uani 1 1 d .
O4 O 0.6808(8) 0.3092(8) 1.5269(6) 0.0266(16) Uani 1 1 d .
O5 O 0.2263(7) 0.4767(7) 1.0203(5) 0.0224(13) Uani 1 1 d .
O6 O -0.0729(7) 0.4059(7) 0.8155(6) 0.0190(14) Uani 1 1 d .
O7 O -0.1372(9) 0.6284(9) 0.8873(7) 0.062(2) Uani 1 1 d .
O8 O -0.5642(8) 0.1089(8) 0.6004(5) 0.0232(15) Uani 1 1 d .
O9 O -0.8370(8) 0.0847(9) 0.4548(6) 0.0254(16) Uani 1 1 d .
O10 O -0.8309(8) 0.1200(8) -0.0034(6) 0.0272(16) Uani 1 1 d .
O11 O -0.6079(8) 0.0398(8) -0.0611(5) 0.0234(15) Uani 1 1 d .
O12 O -0.1392(8) -0.1362(7) 0.4206(6) 0.0238(13) Uani 1 1 d .
O13 O 0.1366(8) -0.0655(8) 0.6431(6) 0.0242(15) Uani 1 1 d .
O14 O 0.2022(10) -0.2886(8) 0.6057(6) 0.0450(16) Uani 1 1 d .
O15 O -0.1384(8) 0.1132(7) 0.6983(6) 0.0167(14) Uani 1 1 d .
O16 O 0.2157(8) 0.2298(8) 0.7616(6) 0.0180(14) Uani 1 1 d .
O17 O 0.5299(10) -0.0967(9) 0.7407(7) 0.0396(19) Uani 1 1 d D
H17A H 0.6150 -0.0839 0.8102 0.059 Uiso 1 1 calc RD
O18 O -0.4622(9) 0.4318(9) 0.7260(6) 0.0358(18) Uani 1 1 d D
H18B H -0.4908 0.4617 0.6599 0.054 Uiso 1 1 calc RD
Zn1 Zn 0.06271(9) 0.24342(9) 0.88030(7) 0.0174(2) Uani 1 1 d .
Zn2 Zn -0.31281(9) 0.25890(9) 0.69292(6) 0.0184(3) Uani 1 1 d .
Zn3 Zn 0.01103(9) 0.09895(9) 0.57804(7) 0.0183(3) Uani 1 1 d .
Zn4 Zn 0.38568(9) 0.08298(9) 0.77047(6) 0.0178(3) Uani 1 1 d .
H17B H 0.443(5) -0.171(4) 0.717(5) 0.027 Uiso 1 1 d D
H18A H -0.526(5) 0.461(5) 0.769(4) 0.027 Uiso 1 1 d D
H15A H -0.167(10) 0.045(9) 0.700(8) 0.027 Uiso 1 1 d .
H16A H 0.272(9) 0.312(9) 0.765(7) 0.027 Uiso 1 1 d .
O20 O 0.2566(11) 0.4274(11) 0.4997(9) 0.061(2) Uiso 1 1 d D
H19B H 0.866(14) 0.922(14) 0.913(8) 0.091 Uiso 1 1 d D
H19A H 0.917(7) 0.983(7) 0.995(8) 0.091 Uiso 1 1 d D
H20B H 0.220(9) 0.510(5) 0.508(8) 0.091 Uiso 1 1 d D
H20A H 0.228(13) 0.440(13) 0.569(6) 0.091 Uiso 1 1 d 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
O2 C1 O1 125.6(7) . .
O2 C1 C2 119.2(7) . .
O1 C1 C2 115.2(7) . .
C7 C2 C3 119.7(7) . .
C7 C2 C1 120.8(7) . .
C3 C2 C1 119.6(8) . .
C4 C3 C2 121.6(8) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 116.6(7) . .
C3 C4 C8 124.2(8) . .
C5 C4 C8 118.9(7) . .
C6 C5 C4 122.9(7) . .
C6 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
C5 C6 C7 115.7(8) . .
C5 C6 C9 121.3(7) . .
C7 C6 C9 122.9(7) . .
C2 C7 C6 123.4(8) . .
C2 C7 H7 118.3 . .
C6 C7 H7 118.3 . .
O3 C8 O4 126.2(7) . .
O3 C8 C4 117.1(7) . .
O4 C8 C4 116.8(7) . .
O5 C9 C6 111.9(7) . .
O5 C9 H9A 109.2 . .
C6 C9 H9A 109.2 . .
O5 C9 H9B 109.2 . .
C6 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
O5 C10 C12 108.0(6) . .
O5 C10 C11 108.2(5) . .
C12 C10 C11 108.5(5) . .
O5 C10 H10 110.7 . .
C12 C10 H10 110.7 . .
C11 C10 H10 110.7 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O7 C12 O6 122.9(9) . .
O7 C12 C10 120.4(9) . .
O6 C12 C10 116.7(8) . .
O9 C13 O8 123.2(7) . .
O9 C13 C14 117.4(8) . .
O8 C13 C14 119.3(8) . .
C15 C14 C19 120.3(7) . .
C15 C14 C13 121.7(8) . .
C19 C14 C13 117.8(7) . .
C14 C15 C16 117.1(8) . .
C14 C15 H15 121.4 . .
C16 C15 H15 121.4 . .
C17 C16 C15 123.4(8) . .
C17 C16 C20 117.7(7) . .
C15 C16 C20 118.6(8) . .
C16 C17 C18 118.9(7) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
C19 C18 C17 121.9(8) . .
C19 C18 C21 121.7(7) . .
C17 C18 C21 116.3(7) . .
C18 C19 C14 118.2(7) . .
C18 C19 H19 120.9 . .
C14 C19 H19 120.9 . .
O11 C20 O10 127.0(8) . .
O11 C20 C16 115.0(8) . .
O10 C20 C16 118.0(8) . .
O12 C21 C18 110.5(7) . .
O12 C21 H21A 109.6 . .
C18 C21 H21A 109.6 . .
O12 C21 H21B 109.6 . .
C18 C21 H21B 109.6 . .
H21A C21 H21B 108.1 . .
O12 C22 C23 115.1(5) . .
O12 C22 C24 108.6(6) . .
C23 C22 C24 108.6(5) . .
O12 C22 H22 108.1 . .
C23 C22 H22 108.1 . .
C24 C22 H22 108.1 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O14 C24 O13 126.1(9) . .
O14 C24 C22 117.1(9) . .
O13 C24 C22 116.8(8) . .
H19B O19 H19A 61(8) . .
C1 O1 Zn2 125.2(5) . 1_655
C1 O1 Zn4 133.2(5) . .
Zn2 O1 Zn4 100.2(2) 1_655 .
C1 O2 Zn1 128.0(5) . 1_655
C8 O3 Zn3 135.1(6) . 1_656
C8 O4 Zn2 134.6(6) . 1_656
C10 O5 C9 118.0(7) . .
C10 O5 Zn1 114.9(4) . .
C9 O5 Zn1 120.3(6) . .
C12 O6 Zn2 134.7(5) . .
C12 O6 Zn1 120.9(5) . .
Zn2 O6 Zn1 96.0(3) . .
C13 O8 Zn4 127.3(5) . 1_455
C13 O8 Zn2 128.4(5) . .
Zn4 O8 Zn2 101.4(2) 1_455 .
C13 O9 Zn3 130.7(5) . 1_455
C20 O10 Zn1 133.9(6) . 1_454
C20 O11 Zn4 135.8(6) . 1_454
C21 O12 C22 110.4(6) . .
C21 O12 Zn3 128.0(5) . .
C22 O12 Zn3 114.0(4) . .
C24 O13 Zn3 126.4(5) . .
C24 O13 Zn4 126.6(6) . .
Zn3 O13 Zn4 95.3(3) . .
Zn3 O15 Zn2 119.9(3) . .
Zn3 O15 Zn1 97.2(2) . .
Zn2 O15 Zn1 97.1(3) . .
Zn3 O15 H15A 110(8) . .
Zn2 O15 H15A 117(7) . .
Zn1 O15 H15A 112(7) . .
Zn1 O16 Zn4 118.6(3) . .
Zn1 O16 Zn3 96.2(2) . .
Zn4 O16 Zn3 97.6(3) . .
Zn1 O16 H16A 116(5) . .
Zn4 O16 H16A 108(5) . .
Zn3 O16 H16A 119(5) . .
Zn4 O17 H17A 109.5 . .
Zn4 O17 H17B 99(4) . .
H17A O17 H17B 118.2 . .
Zn2 O18 H18B 109.5 . .
Zn2 O18 H18A 141(3) . .
H18B O18 H18A 105.9 . .
O10 Zn1 O16 100.8(2) 1_656 .
O10 Zn1 O15 112.0(3) 1_656 .
O16 Zn1 O15 83.4(2) . .
O10 Zn1 O2 78.6(2) 1_656 1_455
O16 Zn1 O2 176.3(3) . 1_455
O15 Zn1 O2 100.2(2) . 1_455
O10 Zn1 O6 160.5(2) 1_656 .
O16 Zn1 O6 97.0(2) . .
O15 Zn1 O6 78.0(2) . .
O2 Zn1 O6 83.2(2) 1_455 .
O10 Zn1 O5 99.4(2) 1_656 .
O16 Zn1 O5 91.9(2) . .
O15 Zn1 O5 148.6(2) . .
O2 Zn1 O5 84.7(2) 1_455 .
O6 Zn1 O5 71.7(2) . .
O4 Zn2 O15 100.7(2) 1_454 .
O4 Zn2 O6 94.5(3) 1_454 .
O15 Zn2 O6 79.4(2) . .
O4 Zn2 O1 166.5(3) 1_454 1_455
O15 Zn2 O1 92.5(2) . 1_455
O6 Zn2 O1 90.8(2) . 1_455
O4 Zn2 O8 95.2(2) 1_454 .
O15 Zn2 O8 101.7(3) . .
O6 Zn2 O8 169.8(2) . .
O1 Zn2 O8 79.1(2) 1_455 .
O4 Zn2 O18 86.0(3) 1_454 .
O15 Zn2 O18 169.3(3) . .
O6 Zn2 O18 91.8(3) . .
O1 Zn2 O18 81.3(2) 1_455 .
O8 Zn2 O18 85.8(3) . .
O3 Zn3 O15 99.3(2) 1_454 .
O3 Zn3 O9 80.5(2) 1_454 1_655
O15 Zn3 O9 179.8(3) . 1_655
O3 Zn3 O13 164.6(2) 1_454 .
O15 Zn3 O13 94.8(2) . .
O9 Zn3 O13 85.4(2) 1_655 .
O3 Zn3 O16 109.1(3) 1_454 .
O15 Zn3 O16 83.1(2) . .
O9 Zn3 O16 97.0(2) 1_655 .
O13 Zn3 O16 78.7(2) . .
O3 Zn3 O12 100.6(2) 1_454 .
O15 Zn3 O12 98.2(2) . .
O9 Zn3 O12 81.8(2) 1_655 .
O13 Zn3 O12 71.1(2) . .
O16 Zn3 O12 149.7(2) . .
O11 Zn4 O16 100.8(2) 1_656 .
O11 Zn4 O8 166.1(3) 1_656 1_655
O16 Zn4 O8 92.4(2) . 1_655
O11 Zn4 O1 93.4(2) 1_656 .
O16 Zn4 O1 102.3(3) . .
O8 Zn4 O1 79.3(2) 1_655 .
O11 Zn4 O13 96.0(2) 1_656 .
O16 Zn4 O13 79.1(3) . .
O8 Zn4 O13 90.9(2) 1_655 .
O1 Zn4 O13 170.1(2) . .
O11 Zn4 O17 85.7(3) 1_656 .
O16 Zn4 O17 168.9(3) . .
O8 Zn4 O17 82.1(3) 1_655 .
O1 Zn4 O17 86.1(3) . .
O13 Zn4 O17 91.4(3) . .
H20B O20 H20A 76(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.237(10) .
C1 O1 1.277(9) .
C1 C2 1.514(11) .
C2 C7 1.335(12) .
C2 C3 1.412(11) .
C3 C4 1.365(11) .
C3 H3 0.9300 .
C4 C5 1.445(10) .
C4 C8 1.473(11) .
C5 C6 1.393(10) .
C5 H5 0.9300 .
C6 C7 1.412(11) .
C6 C9 1.451(11) .
C7 H7 0.9300 .
C8 O3 1.248(10) .
C8 O4 1.259(10) .
C9 O5 1.439(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 O5 1.422(8) .
C10 C12 1.494(11) .
C10 C11 1.538(7) .
C10 H10 0.9800 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 O7 1.256(11) .
C12 O6 1.285(11) .
C13 O9 1.247(10) .
C13 O8 1.283(10) .
C13 C14 1.469(11) .
C14 C15 1.380(11) .
C14 C19 1.442(11) .
C15 C16 1.411(11) .
C15 H15 0.9300 .
C16 C17 1.328(11) .
C16 C20 1.544(11) .
C17 C18 1.391(11) .
C17 H17 0.9300 .
C18 C19 1.358(11) .
C18 C21 1.556(12) .
C19 H19 0.9300 .
C20 O11 1.229(10) .
C20 O10 1.273(11) .
C21 O12 1.411(9) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O12 1.455(8) .
C22 C23 1.513(7) .
C22 C24 1.553(10) .
C22 H22 0.9800 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 O14 1.217(11) .
C24 O13 1.258(11) .
O19 H19B 0.85(2) .
O19 H19A 0.86(2) .
O1 Zn2 2.119(5) 1_655
O1 Zn4 2.147(6) .
O2 Zn1 2.119(5) 1_655
O3 Zn3 2.030(6) 1_656
O4 Zn2 1.984(5) 1_656
O5 Zn1 2.315(6) .
O6 Zn2 2.084(6) .
O6 Zn1 2.126(6) .
O8 Zn4 2.096(5) 1_455
O8 Zn2 2.134(6) .
O9 Zn3 2.087(6) 1_455
O10 Zn1 2.008(6) 1_454
O11 Zn4 1.978(5) 1_454
O12 Zn3 2.357(6) .
O13 Zn3 2.106(7) .
O13 Zn4 2.149(6) .
O15 Zn3 2.044(6) .
O15 Zn2 2.077(7) .
O15 Zn1 2.098(6) .
O15 H15A 0.67(8) .
O16 Zn1 2.054(6) .
O16 Zn4 2.059(6) .
O16 Zn3 2.121(6) .
O16 H16A 0.85(7) .
O17 Zn4 2.180(7) .
O17 H17A 0.8200 .
O17 H17B 0.865(19) .
O18 Zn2 2.163(7) .
O18 H18B 0.8200 .
O18 H18A 0.823(19) .
Zn1 O10 2.008(6) 1_656
Zn1 O2 2.119(5) 1_455
Zn2 O4 1.984(5) 1_454
Zn2 O1 2.119(5) 1_455
Zn3 O3 2.030(6) 1_454
Zn3 O9 2.087(6) 1_655
Zn4 O11 1.978(5) 1_656
Zn4 O8 2.096(5) 1_655
O20 H20B 0.87(2) .
O20 H20A 0.85(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O17 H17A O19 0.82 2.02 2.835(10) 172.4 1_545
O18 H18B O20 0.82 2.16 2.772(10) 131.5 1_455
O16 H16A O18 0.85(7) 2.54(6) 3.266(9) 144(7) 1_655
O19 H19A O10 0.86(2) 2.30(3) 3.139(10) 164(8) 1_766
O20 H20B O14 0.87(2) 1.98(4) 2.787(12) 156(7) 1_565
