#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:19:17 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265987 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/26/7242659.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_7242659
loop_
_publ_author_name
'Zhang, Hao'
'Geng, Wu-Yue'
'Luo, Yu-Hui'
'Ding, Zi-Jun'
'Wang, Zhi-Xuan'
'Xie, A.-Di'
'Zhang, Dong-En'
_publ_section_title
;
 Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye
 adsorption/separation and lanthanide ion sensitization
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              3319
_journal_page_last               3325
_journal_paper_doi               10.1039/D1CE00112D
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C26 H36 N3.5 O9.5 Zn'
_chemical_formula_weight         614.95
_space_group_crystal_system      orthorhombic
_space_group_IT_number           55
_space_group_name_Hall           '-P 2 2ab'
_space_group_name_H-M_alt        'P b a m'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc26zmrl
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-01-11 deposited with the CCDC.	2021-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.693(3)
_cell_length_b                   33.688(7)
_cell_length_c                   16.248(3)
_cell_measurement_reflns_used    1326
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.249
_cell_measurement_theta_min      2.418
_cell_volume                     9684(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  w/scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1676
_diffrn_reflns_av_unetI/netI     0.0909
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            24512
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        18.429
_diffrn_reflns_theta_max         18.429
_diffrn_reflns_theta_min         1.209
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.844
_exptl_crystal_description       block
_exptl_crystal_F_000             2580
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.080
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.0126(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         3741
_refine_ls_number_restraints     556
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.1534
_refine_ls_R_factor_gt           0.1094
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²+16.0520P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2837
_refine_ls_wR_factor_ref         0.3234
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2156
_reflns_number_total             3741
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00112d2.cif
_cod_data_source_block           JOU_45
_cod_depositor_comments
'Adding full bibliography for 7242658--7242659.cif.'
_cod_original_formula_sum        'C26 H36 N3.50 O9.50 Zn'
_cod_database_code               7242659
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x-1/2, y-1/2, z'
'x-1/2, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.72109(10) 0.39052(6) 0.500000 0.0777(11) Uani 1 2 d S T P . .
Zn2 Zn 0.79646(10) 0.48322(6) 0.500000 0.0763(11) Uani 1 2 d S T P . .
C1 C 0.6991(8) 0.4522(6) 0.6277(10) 0.095(5) Uani 1 1 d . . . . .
C2 C 0.6566(8) 0.4613(4) 0.7031(10) 0.084(4) Uani 1 1 d . . . . .
C3A C 0.6803(16) 0.4916(10) 0.7521(18) 0.099(4) Uani 0.5 1 d . U P A 1
H3A H 0.724123 0.505295 0.738006 0.118 Uiso 0.5 1 calc R U P A 1
C4A C 0.6404(16) 0.5031(9) 0.8241(18) 0.100(4) Uani 0.5 1 d . U P A 1
H4A H 0.657207 0.524673 0.854629 0.120 Uiso 0.5 1 calc R U P A 1
C6A C 0.5935(15) 0.4396(9) 0.8277(18) 0.098(4) Uani 0.5 1 d . U P A 1
H6A H 0.578081 0.418916 0.861701 0.118 Uiso 0.5 1 calc R U P A 1
C7A C 0.6325(15) 0.4318(9) 0.7574(18) 0.098(4) Uani 0.5 1 d . U P A 1
H7A H 0.643658 0.405535 0.744856 0.117 Uiso 0.5 1 calc R U P A 1
C3B C 0.6353(16) 0.5009(10) 0.7243(18) 0.098(4) Uani 0.5 1 d . U P A 2
H3B H 0.652169 0.521256 0.690240 0.118 Uiso 0.5 1 calc R U P A 2
C4B C 0.5947(16) 0.5107(9) 0.7865(19) 0.098(4) Uani 0.5 1 d . U P A 2
H4B H 0.577228 0.536688 0.791062 0.118 Uiso 0.5 1 calc R U P A 2
C6B C 0.5530(16) 0.4527(9) 0.7952(18) 0.099(4) Uani 0.5 1 d . U P A 2
H6B H 0.509312 0.438622 0.808162 0.119 Uiso 0.5 1 calc R U P A 2
C7B C 0.5900(16) 0.4424(9) 0.7228(18) 0.099(4) Uani 0.5 1 d . U P A 2
H7B H 0.570059 0.423043 0.688189 0.119 Uiso 0.5 1 calc R U P A 2
C5 C 0.5754(8) 0.4821(4) 0.8499(10) 0.099(5) Uani 1 1 d . . . . .
C8 C 0.5334(7) 0.4912(4) 0.9289(9) 0.085(4) Uani 1 1 d . . . . .
C9 C 0.5653(12) 0.4810(6) 1.000000 0.106(7) Uani 1 2 d S T P . .
H9 H 0.610154 0.466638 0.999999 0.127 Uiso 1 2 calc R U P . .
C10 C 0.8789(11) 0.4034(7) 0.500000 0.096(7) Uani 1 2 d S T P . .
C11 C 1.1514(13) 0.4386(7) 0.500000 0.108(7) Uani 1 2 d S TU P . .
C12 C 1.1290(8) 0.1765(4) 0.500000 0.133(4) Uani 1 2 d DS TU P . .
C13 C 0.9612(11) 0.3916(5) 0.500000 0.111(3) Uani 1 2 d S TU P . .
C14 C 1.0163(10) 0.4202(5) 0.500000 0.109(3) Uani 1 2 d S TU P . .
H14 H 1.003556 0.446943 0.500000 0.131 Uiso 1 2 calc R U P . .
C15 C 1.0922(11) 0.4084(5) 0.500000 0.113(3) Uani 1 2 d S TU P . .
C16 C 1.1097(11) 0.3689(5) 0.500000 0.116(3) Uani 1 2 d S TU P B .
H16 H 1.160155 0.361261 0.500000 0.139 Uiso 1 2 calc R U P . .
C17 C 1.0531(11) 0.3394(5) 0.500000 0.117(3) Uani 1 2 d S TU P . .
C18 C 0.9773(11) 0.3517(5) 0.500000 0.113(3) Uani 1 2 d S TU P B .
H18 H 0.938441 0.333119 0.500000 0.136 Uiso 1 2 calc R U P . .
C19 C 1.0751(10) 0.2968(3) 0.5043(13) 0.119(3) Uani 0.5 1 d G U P B -1
C20 C 1.0284(8) 0.2706(4) 0.4622(11) 0.124(3) Uani 0.5 1 d G U P B -1
H20 H 0.985327 0.279904 0.435645 0.148 Uiso 0.5 1 calc R U P B -1
C21 C 1.0459(8) 0.2304(4) 0.4598(11) 0.126(3) Uani 0.5 1 d G U P B -1
H21 H 1.014687 0.212814 0.431609 0.152 Uiso 0.5 1 calc R U P B -1
C22 C 1.1103(9) 0.2164(3) 0.4995(13) 0.126(3) Uani 0.5 1 d DG U P B -1
C23 C 1.1570(7) 0.2426(5) 0.5416(11) 0.125(3) Uani 0.5 1 d G U P B -1
H23 H 1.200016 0.233275 0.568126 0.150 Uiso 0.5 1 calc R U P B -1
C24 C 1.1394(9) 0.2828(4) 0.5440(11) 0.124(3) Uani 0.5 1 d G U P B -1
H24 H 1.170657 0.300365 0.572162 0.148 Uiso 0.5 1 calc R U P B -1
O1 O 0.6919(6) 0.4195(3) 0.5962(7) 0.116(4) Uani 1 1 d . . . . .
O2 O 0.7376(7) 0.4794(3) 0.5961(7) 0.136(4) Uani 1 1 d . U . . .
O3 O 0.8288(7) 0.3799(4) 0.500000 0.100(5) Uani 1 2 d S T P . .
O4 O 0.8695(7) 0.4417(4) 0.500000 0.106(4) Uani 1 2 d S TU P . .
O5 O 1.1330(6) 0.4746(4) 0.500000 0.095(4) Uani 1 2 d S TU P . .
O6 O 1.2197(8) 0.4298(5) 0.500000 0.156(6) Uani 1 2 d S TU P . .
O7 O 1.1895(9) 0.1610(5) 0.500000 0.178(6) Uani 1 2 d DS TU P B .
O8 O 1.0832(12) 0.1485(4) 0.500000 0.258(8) Uani 1 2 d DS TU P B .
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
_geom_angle_publ_flag
O7 Zn1 O1 113.7(4) 3_456 6_556 ?
O7 Zn1 O1 113.7(4) 3_456 . ?
O1 Zn1 O1 109.5(7) 6_556 . ?
O7 Zn1 O3 97.2(7) 3_456 . ?
O1 Zn1 O3 111.1(4) 6_556 . ?
O1 Zn1 O3 111.1(4) . . ?
O2 Zn2 O2 112.2(7) 6_556 . ?
O2 Zn2 O5 114.6(4) 6_556 5_766 ?
O2 Zn2 O5 114.6(4) . 5_766 ?
O2 Zn2 O4 108.9(4) 6_556 . ?
O2 Zn2 O4 108.9(4) . . ?
O5 Zn2 O4 96.0(5) 5_766 . ?
O2 C1 O1 123.1(16) . . ?
O2 C1 C2 117.8(17) . . ?
O1 C1 C2 119.0(16) . . ?
C3A C2 C1 119.2(18) . . ?
C7B C2 C1 122.3(17) . . ?
C3A C2 C7A 105(2) . . ?
C1 C2 C7A 122.3(18) . . ?
C7B C2 C3B 99(2) . . ?
C1 C2 C3B 122.1(18) . . ?
C2 C3A C4A 122(3) . . ?
C2 C3A H3A 118.9 . . ?
C4A C3A H3A 118.9 . . ?
C5 C4A C3A 121(3) . . ?
C5 C4A H4A 119.5 . . ?
C3A C4A H4A 119.5 . . ?
C7A C6A C5 119(3) . . ?
C7A C6A H6A 120.3 . . ?
C5 C6A H6A 120.3 . . ?
C6A C7A C2 123(3) . . ?
C6A C7A H7A 118.3 . . ?
C2 C7A H7A 118.3 . . ?
C4B C3B C2 125(3) . . ?
C4B C3B H3B 117.3 . . ?
C2 C3B H3B 117.3 . . ?
C3B C4B C5 121(3) . . ?
C3B C4B H4B 119.4 . . ?
C5 C4B H4B 119.4 . . ?
C5 C6B C7B 126(3) . . ?
C5 C6B H6B 117.1 . . ?
C7B C6B H6B 117.1 . . ?
C2 C7B C6B 119(3) . . ?
C2 C7B H7B 120.5 . . ?
C6B C7B H7B 120.5 . . ?
C6B C5 C4B 95(2) . . ?
C6B C5 C8 123.2(17) . . ?
C4A C5 C8 123.3(17) . . ?
C4B C5 C8 125.5(17) . . ?
C4A C5 C6A 103.3(18) . . ?
C8 C5 C6A 120.0(17) . . ?
C8 C8 C9 119.6(10) 2_665 . ?
C8 C8 C5 122.0(7) 2_665 . ?
C9 C8 C5 118.3(13) . . ?
C8 C9 C8 120(2) 6_557 . ?
C8 C9 H9 119.8 6_557 . ?
C8 C9 H9 119.8 . . ?
O3 C10 O4 124.5(18) . . ?
O3 C10 C13 123(2) . . ?
O4 C10 C13 113(2) . . ?
O6 C11 O5 119(2) . . ?
O6 C11 C15 122(2) . . ?
O5 C11 C15 119(2) . . ?
O7 C12 O8 104.8(16) . . ?
O7 C12 C22 129.8(11) . . ?
O8 C12 C22 125.4(11) . . ?
C18 C13 C14 122.6(19) . . ?
C18 C13 C10 117.1(18) . . ?
C14 C13 C10 120.2(18) . . ?
C15 C14 C13 119.0(17) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 119.5(18) . . ?
C14 C15 C11 119.4(17) . . ?
C16 C15 C11 121.1(19) . . ?
C17 C16 C15 121.7(18) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C16 C17 C18 118.1(17) . . ?
C16 C17 C19 119.5(17) . . ?
C18 C17 C19 122.3(17) . . ?
C13 C18 C17 119.1(18) . . ?
C13 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 C17 115.7(13) . . ?
C24 C19 C17 124.2(13) . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 C12 121.9(11) . . ?
C23 C22 C12 118.1(11) . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
C1 O1 Zn1 140.7(11) . . ?
C1 O2 Zn2 133.8(12) . . ?
C10 O3 Zn1 127.5(13) . . ?
C10 O4 Zn2 144.6(13) . . ?
C11 O5 Zn2 123.7(14) . 5_766 ?
C12 O7 Zn1 133.8(14) . 3_556 ?
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 O7 1.825(14) 3_456 ?
Zn1 O1 1.914(11) 6_556 ?
Zn1 O1 1.914(11) . ?
Zn1 O3 1.940(13) . ?
Zn2 O2 1.882(12) 6_556 ?
Zn2 O2 1.882(12) . ?
Zn2 O5 1.892(11) 5_766 ?
Zn2 O4 1.905(14) . ?
C1 O2 1.252(17) . ?
C1 O1 1.222(17) . ?
C1 C2 1.470(18) . ?
C2 C3A 1.36(3) . ?
C2 C7B 1.38(3) . ?
C2 C7A 1.40(3) . ?
C2 C3B 1.43(3) . ?
C3A C4A 1.42(3) . ?
C3A H3A 0.9300 . ?
C4A C5 1.41(3) . ?
C4A H4A 0.9300 . ?
C6A C7A 1.36(3) . ?
C6A C5 1.51(3) . ?
C6A H6A 0.9300 . ?
C7A H7A 0.9300 . ?
C3B C4B 1.28(3) . ?
C3B H3B 0.9300 . ?
C4B C5 1.45(3) . ?
C4B H4B 0.9300 . ?
C6B C5 1.39(3) . ?
C6B C7B 1.39(3) . ?
C6B H6B 0.9300 . ?
C7B H7B 0.9300 . ?
C5 C8 1.514(16) . ?
C8 C8 1.32(2) 2_665 ?
C8 C9 1.331(15) . ?
C9 H9 0.9300 . ?
C10 O3 1.19(2) . ?
C10 O4 1.30(2) . ?
C10 C13 1.51(3) . ?
C11 O6 1.25(2) . ?
C11 O5 1.26(2) . ?
C11 C15 1.46(3) . ?
C12 O7 1.189(9) . ?
C12 O8 1.245(10) . ?
C12 C22 1.385(9) . ?
C13 C18 1.37(2) . ?
C13 C14 1.37(2) . ?
C14 C15 1.40(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.37(2) . ?
C16 C17 1.41(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.40(2) . ?
C17 C19 1.49(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9300 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C1 C2 C3A -24(2) . . . . ?
O1 C1 C2 C3A 160.0(19) . . . . ?
O2 C1 C2 C7B 150.4(19) . . . . ?
O1 C1 C2 C7B -25(3) . . . . ?
O2 C1 C2 C7A -158.9(19) . . . . ?
O1 C1 C2 C7A 25(2) . . . . ?
O2 C1 C2 C3B 23(2) . . . . ?
O1 C1 C2 C3B -152.6(19) . . . . ?
C1 C2 C3A C4A 178(2) . . . . ?
C7A C2 C3A C4A -41(3) . . . . ?
C2 C3A C4A C5 3(4) . . . . ?
C5 C6A C7A C2 -1(4) . . . . ?
C3A C2 C7A C6A 40(3) . . . . ?
C1 C2 C7A C6A 180(2) . . . . ?
C7B C2 C3B C4B 39(3) . . . . ?
C1 C2 C3B C4B 176(2) . . . . ?
C2 C3B C4B C5 10(5) . . . . ?
C1 C2 C7B C6B -180(2) . . . . ?
C3B C2 C7B C6B -43(3) . . . . ?
C5 C6B C7B C2 3(4) . . . . ?
C7B C6B C5 C4B 43(3) . . . . ?
C7B C6B C5 C8 -179(2) . . . . ?
C3A C4A C5 C8 176(2) . . . . ?
C3A C4A C5 C6A 36(3) . . . . ?
C3B C4B C5 C6B -48(3) . . . . ?
C3B C4B C5 C8 175(2) . . . . ?
C7A C6A C5 C4A -37(3) . . . . ?
C7A C6A C5 C8 -179(2) . . . . ?
C6B C5 C8 C8 -71(3) . . . 2_665 ?
C4A C5 C8 C8 108(2) . . . 2_665 ?
C4B C5 C8 C8 55(3) . . . 2_665 ?
C6A C5 C8 C8 -118(2) . . . 2_665 ?
C6B C5 C8 C9 108(2) . . . . ?
C4A C5 C8 C9 -73(2) . . . . ?
C4B C5 C8 C9 -125(2) . . . . ?
C6A C5 C8 C9 61(2) . . . . ?
C8 C8 C9 C8 -6(4) 2_665 . . 6_557 ?
C5 C8 C9 C8 174.7(13) . . . 6_557 ?
O3 C10 C13 C18 0.0 . . . . ?
O4 C10 C13 C18 180.0 . . . . ?
O3 C10 C13 C14 180.0 . . . . ?
O4 C10 C13 C14 0.0 . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
C10 C13 C14 C15 180.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C13 C14 C15 C11 180.0 . . . . ?
O6 C11 C15 C14 180.0 . . . . ?
O5 C11 C15 C14 0.0 . . . . ?
O6 C11 C15 C16 0.0 . . . . ?
O5 C11 C15 C16 180.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C11 C15 C16 C17 180.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C15 C16 C17 C19 -176.9(9) . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C10 C13 C18 C17 180.0 . . . . ?
C16 C17 C18 C13 0.0 . . . . ?
C19 C17 C18 C13 176.8(10) . . . . ?
C16 C17 C19 C20 -146.8(7) . . . . ?
C18 C17 C19 C20 36.4(13) . . . . ?
C16 C17 C19 C24 30.5(15) . . . . ?
C18 C17 C19 C24 -146.3(8) . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C17 C19 C20 C21 177.4(17) . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C20 C21 C22 C12 178.7(17) . . . . ?
O7 C12 C22 C21 146.9(7) . . . . ?
O8 C12 C22 C21 -32.6(16) . . . . ?
O7 C12 C22 C23 -34.5(16) . . . . ?
O8 C12 C22 C23 146.1(6) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C12 C22 C23 C24 -178.7(16) . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
C17 C19 C24 C23 -177.1(18) . . . . ?
O2 C1 O1 Zn1 -2(3) . . . . ?
C2 C1 O1 Zn1 173.6(10) . . . . ?
O1 C1 O2 Zn2 -1(3) . . . . ?
C2 C1 O2 Zn2 -176.7(10) . . . . ?
O2 Zn2 O2 C1 65.9(18) 6_556 . . . ?
O5 Zn2 O2 C1 -161.1(14) 5_766 . . . ?
O4 Zn2 O2 C1 -54.9(16) . . . . ?
O4 C10 O3 Zn1 0.0 . . . . ?
C13 C10 O3 Zn1 180.0 . . . . ?
O3 C10 O4 Zn2 0.0 . . . . ?
C13 C10 O4 Zn2 180.0 . . . . ?
O6 C11 O5 Zn2 0.0 . . . 5_766 ?
C15 C11 O5 Zn2 180.0 . . . 5_766 ?
O8 C12 O7 Zn1 0.0 . . . 3_556 ?
C22 C12 O7 Zn1 -179.5(11) . . . 3_556 ?
