#------------------------------------------------------------------------------
#$Date: 2017-08-03 04:58:21 +0300 (Thu, 03 Aug 2017) $
#$Revision: 199481 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/88/7228845.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_7228845
loop_
_publ_author_name
'wang, Jun'
'Ma, De-Yun'
'Liao, Weilin'
'Li, Shujun'
'Huang, Manfei'
'Liu, Huimin'
'Wang, Yifei'
'Xie, Rui'
'xu, jun'
_publ_section_title
;
 A hydrostable anionic zinc-organic framework carrier with a bcu topology
 for drug delivery
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01238A
_journal_year                    2017
_chemical_formula_sum            'C28 H24 N2 O20 Zn3'
_chemical_formula_weight         904.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-07 deposited with the CCDC.
2017-08-02 downloaded from the CCDC.
;
_cell_angle_alpha                113.869(2)
_cell_angle_beta                 95.216(2)
_cell_angle_gamma                90.096(2)
_cell_formula_units_Z            2
_cell_length_a                   12.5412(9)
_cell_length_b                   12.9653(9)
_cell_length_c                   14.9803(10)
_cell_measurement_reflns_used    1234
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.85
_cell_measurement_theta_min      2.32
_cell_volume                     2216.3(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_unetI/netI     0.1170
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14487
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.166
_diffrn_reflns_theta_max         25.166
_diffrn_reflns_theta_min         1.494
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       Block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         7894
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0603P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1483
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4738
_reflns_number_total             7894
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce01238a2.cif
_cod_data_source_block           1
_cod_database_code               7228845
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.709
_shelx_estimated_absorpt_t_max   0.752
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.3194(5) -0.4560(6) -0.3583(5) 0.0386(17) Uani 1 1 d . . .
C2 C 0.2437(6) -0.3636(5) -0.3183(4) 0.0356(16) Uani 1 1 d . . .
C3 C 0.2082(6) -0.2839(6) -0.3466(5) 0.052(2) Uani 1 1 d . . .
H3 H 0.2280 -0.2715 -0.3999 0.062 Uiso 1 1 calc R U .
C4 C 0.1344(6) -0.2214(6) -0.2806(5) 0.0473(19) Uani 1 1 d . . .
H4 H 0.0971 -0.1602 -0.2824 0.057 Uiso 1 1 calc R U .
C5 C 0.1284(6) -0.2667(5) -0.2156(5) 0.0362(17) Uani 1 1 d . . .
C6 C 0.0721(5) -0.2331(5) -0.1269(4) 0.0307(15) Uani 1 1 d . . .
C7 C -0.1589(5) -0.1099(5) 0.0866(4) 0.0315(15) Uani 1 1 d . . .
C8 C -0.2537(5) -0.0853(5) 0.1431(5) 0.0361(17) Uani 1 1 d . . .
C9 C -0.3246(6) -0.0050(6) 0.1625(5) 0.0464(19) Uani 1 1 d . . .
H9 H -0.3281 0.0518 0.1395 0.056 Uiso 1 1 calc R U .
C10 C -0.3949(6) -0.0229(6) 0.2256(5) 0.049(2) Uani 1 1 d . . .
H10 H -0.4530 0.0197 0.2514 0.059 Uiso 1 1 calc R U .
C11 C -0.3606(6) -0.1120(6) 0.2398(5) 0.0409(18) Uani 1 1 d . . .
C12 C -0.3981(6) -0.1736(6) 0.2981(5) 0.0403(18) Uani 1 1 d . . .
C13 C 0.1154(5) 0.0098(5) 0.1898(5) 0.0339(16) Uani 1 1 d . . .
C14 C 0.2099(5) 0.0877(5) 0.2196(4) 0.0334(16) Uani 1 1 d . . .
C15 C 0.2813(6) 0.1160(6) 0.1707(5) 0.048(2) Uani 1 1 d . . .
H15 H 0.2787 0.0926 0.1031 0.058 Uiso 1 1 calc R U .
C16 C 0.3615(6) 0.1882(6) 0.2417(5) 0.052(2) Uani 1 1 d . . .
H16 H 0.4221 0.2199 0.2294 0.062 Uiso 1 1 calc R U .
C17 C 0.3333(6) 0.2018(5) 0.3289(5) 0.0364(17) Uani 1 1 d . . .
C18 C 0.3842(6) 0.2664(5) 0.4294(5) 0.0347(16) Uani 1 1 d . . .
C19 C 0.3860(5) 0.5528(5) 0.3302(4) 0.0312(15) Uani 1 1 d . . .
C20 C 0.2865(5) 0.5312(5) 0.2650(4) 0.0289(15) Uani 1 1 d . . .
C21 C 0.2175(5) 0.4420(6) 0.2216(5) 0.0419(18) Uani 1 1 d . . .
H21 H 0.2200 0.3738 0.2284 0.050 Uiso 1 1 calc R U .
C22 C 0.1384(6) 0.4736(6) 0.1620(5) 0.0462(19) Uani 1 1 d . . .
H22 H 0.0787 0.4301 0.1238 0.055 Uiso 1 1 calc R U .
C23 C 0.1671(5) 0.5759(6) 0.1723(5) 0.0354(16) Uani 1 1 d . . .
C24 C 0.1163(6) 0.6536(7) 0.1318(5) 0.0461(19) Uani 1 1 d . . .
C25 C 0.2867(8) 0.9415(8) 0.3768(7) 0.094(3) Uani 1 1 d . . .
H25A H 0.2226 0.9718 0.4063 0.141 Uiso 1 1 calc R U .
H25B H 0.2733 0.9140 0.3067 0.141 Uiso 1 1 calc R U .
H25C H 0.3427 0.9995 0.3999 0.141 Uiso 1 1 calc R U .
C26 C 0.3602(7) 0.8754(7) 0.5048(6) 0.074(3) Uani 1 1 d . . .
H26A H 0.4217 0.9263 0.5216 0.111 Uiso 1 1 calc R U .
H26B H 0.3800 0.8087 0.5140 0.111 Uiso 1 1 calc R U .
H26C H 0.3052 0.9115 0.5461 0.111 Uiso 1 1 calc R U .
C27 C 0.1201(10) 0.3774(15) 0.7648(9) 0.183(8) Uani 1 1 d . . .
H27A H 0.0633 0.4290 0.7845 0.274 Uiso 1 1 calc R U .
H27B H 0.0902 0.3031 0.7240 0.274 Uiso 1 1 calc R U .
H27C H 0.1666 0.4014 0.7287 0.274 Uiso 1 1 calc R U .
C28 C 0.2266(12) 0.4761(9) 0.9097(9) 0.163(7) Uani 1 1 d . . .
H28A H 0.2723 0.5006 0.8734 0.244 Uiso 1 1 calc R U .
H28B H 0.2682 0.4708 0.9646 0.244 Uiso 1 1 calc R U .
H28C H 0.1718 0.5295 0.9329 0.244 Uiso 1 1 calc R U .
N1 N 0.3209(5) 0.8453(5) 0.4044(4) 0.0497(16) Uani 1 1 d . . .
H1A H 0.2651 0.7968 0.3897 0.060 Uiso 1 1 calc R U .
H1B H 0.3718 0.8092 0.3671 0.060 Uiso 1 1 calc R U .
N2 N 0.1812(8) 0.3752(8) 0.8517(8) 0.124(4) Uani 1 1 d . . .
H2A H 0.1378 0.3533 0.8852 0.149 Uiso 1 1 calc R U .
H2B H 0.2319 0.3250 0.8332 0.149 Uiso 1 1 calc R U .
O1 O 0.3584(3) -0.4616(4) -0.4330(3) 0.0446(13) Uani 1 1 d . . .
O2 O 0.3342(4) -0.5198(4) -0.3144(3) 0.0469(13) Uani 1 1 d . . .
O3 O 0.1957(4) -0.3547(4) -0.2360(3) 0.0384(11) Uani 1 1 d . . .
O4 O 0.0924(4) -0.2819(3) -0.0700(3) 0.0384(11) Uani 1 1 d . . .
O5 O 0.0085(4) -0.1564(4) -0.1135(3) 0.0389(11) Uani 1 1 d . . .
O6 O -0.1073(3) -0.1957(4) 0.0823(3) 0.0387(11) Uani 1 1 d . . .
O7 O -0.1377(3) -0.0427(4) 0.0499(3) 0.0384(11) Uani 1 1 d . . .
O8 O -0.2737(4) -0.1545(4) 0.1900(3) 0.0395(12) Uani 1 1 d . . .
O9 O -0.3501(4) -0.2615(4) 0.2914(3) 0.0470(13) Uani 1 1 d . . .
O10 O -0.4726(4) -0.1335(4) 0.3482(4) 0.0613(16) Uani 1 1 d . . .
O11 O 0.0991(3) -0.0515(3) 0.0959(3) 0.0291(10) Uani 1 1 d . . .
O12 O 0.0610(4) 0.0012(4) 0.2511(3) 0.0554(14) Uani 1 1 d . . .
O13 O 0.2415(4) 0.1407(3) 0.3187(3) 0.0363(11) Uani 1 1 d . . .
O14 O 0.3404(4) 0.2499(4) 0.4960(3) 0.0503(14) Uani 1 1 d . . .
O15 O 0.4669(4) 0.3256(4) 0.4415(3) 0.0395(11) Uani 1 1 d . . .
O16 O 0.4085(4) 0.4891(3) 0.3707(3) 0.0358(11) Uani 1 1 d . . .
O17 O 0.4419(3) 0.6405(3) 0.3386(3) 0.0339(11) Uani 1 1 d . . .
O18 O 0.2587(3) 0.6148(3) 0.2336(3) 0.0325(10) Uani 1 1 d . . .
O19 O 0.0328(5) 0.6211(5) 0.0762(4) 0.0732(19) Uani 1 1 d . . .
O20 O 0.1590(5) 0.7470(4) 0.1534(4) 0.0623(16) Uani 1 1 d . . .
Zn1 Zn 0.0000 0.0000 0.0000 0.0249(2) Uani 1 2 d S . P
Zn2 Zn 0.04561(6) -0.21062(6) 0.06299(5) 0.0280(2) Uani 1 1 d . . .
Zn3 Zn 0.5000 0.5000 0.5000 0.0249(2) Uani 1 2 d S . P
Zn4 Zn 0.59599(6) 0.66358(6) 0.36991(5) 0.0301(2) 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'
N N 0.0061 0.0033 '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
O1 C1 O2 127.8(7) . .
O1 C1 C2 115.2(6) . .
O2 C1 C2 117.0(6) . .
C3 C2 O3 109.1(6) . .
C3 C2 C1 133.1(6) . .
O3 C2 C1 117.8(5) . .
C2 C3 C4 107.4(6) . .
C5 C4 C3 107.2(7) . .
C4 C5 O3 109.5(6) . .
C4 C5 C6 131.9(6) . .
O3 C5 C6 118.4(5) . .
O5 C6 O4 125.0(6) . .
O5 C6 C5 116.2(5) . .
O4 C6 C5 118.8(6) . .
O7 C7 O6 127.2(6) . .
O7 C7 C8 116.0(6) . .
O6 C7 C8 116.8(5) . .
C9 C8 O8 110.3(5) . .
C9 C8 C7 133.0(6) . .
O8 C8 C7 116.7(5) . .
C8 C9 C10 106.7(6) . .
C11 C10 C9 106.3(6) . .
C10 C11 O8 111.3(6) . .
C10 C11 C12 133.0(7) . .
O8 C11 C12 115.7(6) . .
O10 C12 O9 126.0(6) . .
O10 C12 C11 117.1(7) . .
O9 C12 C11 116.8(6) . .
O12 C13 O11 124.2(6) . .
O12 C13 C14 121.2(6) . .
O11 C13 C14 114.5(5) . .
C15 C14 O13 108.7(6) . .
C15 C14 C13 134.2(6) . .
O13 C14 C13 116.9(5) . .
C14 C15 C16 107.2(6) . .
C17 C16 C15 106.7(6) . .
C16 C17 O13 110.5(6) . .
C16 C17 C18 132.0(7) . .
O13 C17 C18 117.5(6) . .
O15 C18 O14 126.1(6) . .
O15 C18 C17 119.2(6) . .
O14 C18 C17 114.6(6) . .
O16 C19 O17 126.6(6) . .
O16 C19 C20 119.3(5) . .
O17 C19 C20 114.2(5) . .
C21 C20 O18 110.2(5) . .
C21 C20 C19 133.7(6) . .
O18 C20 C19 115.9(5) . .
C20 C21 C22 105.8(6) . .
C23 C22 C21 106.7(6) . .
C22 C23 O18 111.2(6) . .
C22 C23 C24 131.8(7) . .
O18 C23 C24 117.0(6) . .
O20 C24 O19 122.0(7) . .
O20 C24 C23 119.4(7) . .
O19 C24 C23 118.6(7) . .
O20 C24 Zn2 56.9(4) . 1_565
O19 C24 Zn2 65.1(4) . 1_565
C23 C24 Zn2 175.5(6) . 1_565
C26 N1 C25 116.3(6) . .
C28 N2 C27 111.8(11) . .
C1 O1 Zn3 140.9(5) . 1_544
C1 O2 Zn4 123.2(4) . 2_655
C5 O3 C2 106.7(4) . .
C6 O4 Zn2 117.6(4) . .
C6 O5 Zn1 132.3(4) . .
C7 O6 Zn2 123.4(4) . .
C7 O7 Zn1 134.8(4) . .
C11 O8 C8 105.5(5) . .
C12 O9 Zn4 114.2(4) . 1_445
C13 O11 Zn2 113.4(4) . .
C13 O11 Zn1 122.2(4) . .
Zn2 O11 Zn1 104.17(17) . .
C17 O13 C14 106.9(5) . .
C18 O14 Zn4 115.7(4) . 2_666
C18 O15 Zn3 133.5(4) . .
C19 O16 Zn3 136.6(4) . .
C19 O17 Zn4 125.9(4) . .
C23 O18 C20 106.0(5) . .
C24 O19 Zn2 85.4(5) . 1_565
C24 O20 Zn2 93.7(5) . 1_565
O5 Zn1 O5 180.0 . 2
O5 Zn1 O7 95.03(17) . .
O5 Zn1 O7 84.97(17) 2 .
O5 Zn1 O7 84.97(17) . 2
O5 Zn1 O7 95.03(17) 2 2
O7 Zn1 O7 180.00(12) . 2
O5 Zn1 O11 89.30(16) . 2
O5 Zn1 O11 90.70(16) 2 2
O7 Zn1 O11 89.51(16) . 2
O7 Zn1 O11 90.49(16) 2 2
O5 Zn1 O11 90.70(16) . .
O5 Zn1 O11 89.30(16) 2 .
O7 Zn1 O11 90.49(16) . .
O7 Zn1 O11 89.51(16) 2 .
O11 Zn1 O11 180.0 2 .
O6 Zn2 O4 120.79(19) . .
O6 Zn2 O11 103.90(18) . .
O4 Zn2 O11 98.03(16) . .
O6 Zn2 O20 123.64(19) . 1_545
O4 Zn2 O20 105.5(2) . 1_545
O11 Zn2 O20 99.27(19) . 1_545
O6 Zn2 O19 87.24(19) . 1_545
O4 Zn2 O19 92.5(2) . 1_545
O11 Zn2 O19 157.67(18) . 1_545
O20 Zn2 O19 58.79(19) 1_545 1_545
O6 Zn2 C24 107.4(2) . 1_545
O4 Zn2 C24 99.7(2) . 1_545
O11 Zn2 C24 128.5(2) . 1_545
O20 Zn2 C24 29.3(2) 1_545 1_545
O19 Zn2 C24 29.5(2) 1_545 1_545
O1 Zn3 O1 180.0 2_655 1_566
O1 Zn3 O15 93.74(18) 2_655 2_666
O1 Zn3 O15 86.26(18) 1_566 2_666
O1 Zn3 O15 86.26(18) 2_655 .
O1 Zn3 O15 93.74(18) 1_566 .
O15 Zn3 O15 180.0 2_666 .
O1 Zn3 O16 86.59(17) 2_655 2_666
O1 Zn3 O16 93.41(17) 1_566 2_666
O15 Zn3 O16 83.50(16) 2_666 2_666
O15 Zn3 O16 96.50(16) . 2_666
O1 Zn3 O16 93.41(17) 2_655 .
O1 Zn3 O16 86.59(17) 1_566 .
O15 Zn3 O16 96.50(16) 2_666 .
O15 Zn3 O16 83.50(16) . .
O16 Zn3 O16 180.0 2_666 .
O17 Zn4 O14 121.35(19) . 2_666
O17 Zn4 O2 110.3(2) . 2_655
O14 Zn4 O2 109.5(2) 2_666 2_655
O17 Zn4 O9 108.04(19) . 1_665
O14 Zn4 O9 105.6(2) 2_666 1_665
O2 Zn4 O9 99.85(19) 2_655 1_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.237(7) .
C1 O2 1.253(8) .
C1 C2 1.490(9) .
C2 C3 1.329(9) .
C2 O3 1.385(7) .
C3 C4 1.418(9) .
C4 C5 1.332(8) .
C5 O3 1.369(7) .
C5 C6 1.469(8) .
C6 O5 1.240(7) .
C6 O4 1.261(7) .
C7 O7 1.242(7) .
C7 O6 1.270(7) .
C7 C8 1.482(8) .
C8 C9 1.329(9) .
C8 O8 1.379(6) .
C9 C10 1.433(8) .
C10 C11 1.323(9) .
C11 O8 1.365(7) .
C11 C12 1.503(8) .
C12 O10 1.232(8) .
C12 O9 1.262(8) .
C13 O12 1.233(7) .
C13 O11 1.302(7) .
C13 C14 1.469(9) .
C14 C15 1.344(9) .
C14 O13 1.378(7) .
C15 C16 1.420(9) .
C16 C17 1.327(9) .
C17 O13 1.359(7) .
C17 C18 1.476(9) .
C18 O15 1.243(7) .
C18 O14 1.272(7) .
C19 O16 1.226(7) .
C19 O17 1.290(7) .
C19 C20 1.465(8) .
C20 C21 1.340(8) .
C20 O18 1.378(7) .
C21 C22 1.443(9) .
C22 C23 1.319(9) .
C23 O18 1.360(7) .
C23 C24 1.488(9) .
C24 O20 1.228(8) .
C24 O19 1.235(9) .
C24 Zn2 2.501(7) 1_565
C25 N1 1.516(9) .
C26 N1 1.430(9) .
C27 N2 1.460(13) .
C28 N2 1.333(12) .
O1 Zn3 2.081(4) 1_544
O2 Zn4 1.953(5) 2_655
O4 Zn2 1.972(4) .
O5 Zn1 2.064(4) .
O6 Zn2 1.963(4) .
O7 Zn1 2.102(4) .
O9 Zn4 1.962(4) 1_445
O11 Zn2 2.015(4) .
O11 Zn1 2.124(4) .
O14 Zn4 1.952(5) 2_666
O15 Zn3 2.093(4) .
O16 Zn3 2.113(4) .
O17 Zn4 1.940(4) .
O19 Zn2 2.276(5) 1_565
O20 Zn2 2.101(5) 1_565
Zn1 O5 2.064(4) 2
Zn1 O7 2.102(4) 2
Zn1 O11 2.124(4) 2
Zn2 O20 2.101(5) 1_545
Zn2 O19 2.276(5) 1_545
Zn2 C24 2.501(7) 1_545
Zn3 O1 2.081(4) 2_655
Zn3 O1 2.081(4) 1_566
Zn3 O15 2.093(4) 2_666
Zn3 O16 2.113(4) 2_666
Zn4 O14 1.952(5) 2_666
Zn4 O2 1.953(5) 2_655
Zn4 O9 1.962(4) 1_665
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
O1 C1 C2 C3 0.2(12) .
O2 C1 C2 C3 -178.4(8) .
O1 C1 C2 O3 178.6(6) .
O2 C1 C2 O3 0.1(9) .
O3 C2 C3 C4 -0.2(9) .
C1 C2 C3 C4 178.4(7) .
C2 C3 C4 C5 -0.3(9) .
C3 C4 C5 O3 0.6(9) .
C3 C4 C5 C6 174.8(7) .
C4 C5 C6 O5 9.3(11) .
O3 C5 C6 O5 -176.9(6) .
C4 C5 C6 O4 -169.7(8) .
O3 C5 C6 O4 4.0(9) .
O7 C7 C8 C9 1.4(12) .
O6 C7 C8 C9 -179.8(8) .
O7 C7 C8 O8 -175.6(6) .
O6 C7 C8 O8 3.2(9) .
O8 C8 C9 C10 0.1(9) .
C7 C8 C9 C10 -177.0(7) .
C8 C9 C10 C11 0.3(9) .
C9 C10 C11 O8 -0.6(9) .
C9 C10 C11 C12 179.7(7) .
C10 C11 C12 O10 -4.2(13) .
O8 C11 C12 O10 176.1(6) .
C10 C11 C12 O9 175.9(8) .
O8 C11 C12 O9 -3.7(9) .
O12 C13 C14 C15 -178.5(8) .
O11 C13 C14 C15 5.1(11) .
O12 C13 C14 O13 7.0(9) .
O11 C13 C14 O13 -169.4(5) .
O13 C14 C15 C16 0.8(8) .
C13 C14 C15 C16 -174.0(7) .
C14 C15 C16 C17 -1.4(9) .
C15 C16 C17 O13 1.5(8) .
C15 C16 C17 C18 179.7(7) .
C16 C17 C18 O15 3.7(11) .
O13 C17 C18 O15 -178.2(6) .
C16 C17 C18 O14 -172.4(7) .
O13 C17 C18 O14 5.8(9) .
O16 C19 C20 C21 -15.0(11) .
O17 C19 C20 C21 165.0(7) .
O16 C19 C20 O18 170.9(5) .
O17 C19 C20 O18 -9.1(8) .
O18 C20 C21 C22 -2.6(8) .
C19 C20 C21 C22 -176.9(7) .
C20 C21 C22 C23 1.6(8) .
C21 C22 C23 O18 0.0(8) .
C21 C22 C23 C24 -178.0(7) .
C22 C23 C24 O20 179.2(8) .
O18 C23 C24 O20 1.2(10) .
C22 C23 C24 O19 -1.7(13) .
O18 C23 C24 O19 -179.7(6) .
O2 C1 O1 Zn3 -37.3(12) 1_544
C2 C1 O1 Zn3 144.4(6) 1_544
O1 C1 O2 Zn4 -12.1(10) 2_655
C2 C1 O2 Zn4 166.2(4) 2_655
C4 C5 O3 C2 -0.7(8) .
C6 C5 O3 C2 -175.8(6) .
C3 C2 O3 C5 0.5(8) .
C1 C2 O3 C5 -178.3(6) .
O5 C6 O4 Zn2 -14.3(9) .
C5 C6 O4 Zn2 164.6(4) .
O4 C6 O5 Zn1 57.4(9) .
C5 C6 O5 Zn1 -121.5(5) .
O7 C7 O6 Zn2 25.2(9) .
C8 C7 O6 Zn2 -153.5(4) .
O6 C7 O7 Zn1 -19.7(11) .
C8 C7 O7 Zn1 158.9(5) .
C10 C11 O8 C8 0.6(8) .
C12 C11 O8 C8 -179.7(6) .
C9 C8 O8 C11 -0.4(8) .
C7 C8 O8 C11 177.2(6) .
O10 C12 O9 Zn4 0.1(10) 1_445
C11 C12 O9 Zn4 179.9(4) 1_445
O12 C13 O11 Zn2 -34.2(8) .
C14 C13 O11 Zn2 142.1(5) .
O12 C13 O11 Zn1 91.8(7) .
C14 C13 O11 Zn1 -91.9(6) .
C16 C17 O13 C14 -1.0(7) .
C18 C17 O13 C14 -179.6(5) .
C15 C14 O13 C17 0.1(7) .
C13 C14 O13 C17 175.9(6) .
O15 C18 O14 Zn4 5.4(9) 2_666
C17 C18 O14 Zn4 -178.8(4) 2_666
O14 C18 O15 Zn3 -74.8(9) .
C17 C18 O15 Zn3 109.6(6) .
O17 C19 O16 Zn3 26.1(11) .
C20 C19 O16 Zn3 -153.9(5) .
O16 C19 O17 Zn4 26.9(9) .
C20 C19 O17 Zn4 -153.1(4) .
C22 C23 O18 C20 -1.6(8) .
C24 C23 O18 C20 176.8(5) .
C21 C20 O18 C23 2.6(7) .
C19 C20 O18 C23 178.0(5) .
O20 C24 O19 Zn2 2.1(8) 1_565
C23 C24 O19 Zn2 -177.0(6) 1_565
O19 C24 O20 Zn2 -2.2(8) 1_565
C23 C24 O20 Zn2 176.8(6) 1_565
