#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:32:04 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/12/7231285.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_7231285
loop_
_publ_author_name
'Li, Shaodong'
'Lu, Liping'
'Zhu, Miaoli'
'Feng, Sisi'
'Su, Feng'
'Zhao, Xuefeng'
_publ_section_title
;
 Exploring the syntheses, structures, topologies, luminescence sensing and
 magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid
 tricarboxylate ligand
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              5442
_journal_paper_doi               10.1039/C8CE00947C
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C27 H16 N2 O7 Zn, H2 O'
_chemical_formula_sum            'C27 H18 N2 O8 Zn'
_chemical_formula_weight         563.80
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-05-02 deposited with the CCDC.
2018-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.036(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8697(9)
_cell_length_b                   11.5660(9)
_cell_length_c                   16.8792(13)
_cell_measurement_reflns_used    7618
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.91
_cell_volume                     2274.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22082
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.342
_diffrn_reflns_theta_min         2.914
_diffrn_source                   MoK\a
_exptl_absorpt_coefficient_mu    1.140
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6660
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5648
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.3413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1601
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4035
_reflns_number_total             5648
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00947c2.cif
_cod_data_source_block           complex3
_cod_depositor_comments
'Adding full bibliography for 7231282--7231285.cif.'
_cod_database_code               7231285
_shelx_shelxl_version_number     2016/6
_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   0.848
_shelx_estimated_absorpt_t_max   0.895
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Zn1 Zn 0.34129(3) -0.06659(3) -0.03446(2) 0.02440(14) Uani 1 1 d . .
N1 N 0.3272(2) -0.2276(2) 0.02724(17) 0.0282(6) Uani 1 1 d . .
N2 N 0.1595(2) -0.0983(3) -0.05698(19) 0.0348(7) Uani 1 1 d . .
C1 C 0.0775(4) -0.0348(4) -0.1007(3) 0.0587(13) Uani 1 1 d . .
H1 H 0.086(4) 0.039(5) -0.125(3) 0.070 Uiso 1 1 d . U
C2 C -0.0389(4) -0.0584(5) -0.1067(4) 0.0748(18) Uani 1 1 d . .
H2 H -0.093908 -0.011510 -0.137799 0.090 Uiso 1 1 calc R U
C3 C -0.0714(3) -0.1512(4) -0.0662(3) 0.0616(13) Uani 1 1 d . .
H3 H -0.148780 -0.167127 -0.068690 0.074 Uiso 1 1 calc R U
C4 C 0.0130(3) -0.2224(4) -0.0207(2) 0.0405(9) Uani 1 1 d . .
C5 C -0.0126(3) -0.3232(4) 0.0220(3) 0.0497(11) Uani 1 1 d . .
H5 H -0.088838 -0.342980 0.020744 0.060 Uiso 1 1 calc R U
C6 C 0.0704(4) -0.3893(4) 0.0633(3) 0.0473(10) Uani 1 1 d . .
H6 H 0.051158 -0.454515 0.090095 0.057 Uiso 1 1 calc R U
C7 C 0.1893(3) -0.3609(3) 0.0670(2) 0.0364(8) Uani 1 1 d . .
C8 C 0.2173(3) -0.2607(3) 0.0270(2) 0.0288(7) Uani 1 1 d . .
C9 C 0.1272(3) -0.1910(3) -0.0177(2) 0.0296(7) Uani 1 1 d . .
C10 C 0.2820(4) -0.4278(3) 0.1073(3) 0.0464(10) Uani 1 1 d . .
H10 H 0.268074 -0.495227 0.133903 0.056 Uiso 1 1 calc R U
C11 C 0.4114(3) -0.2930(3) 0.0665(2) 0.0364(8) Uani 1 1 d . .
H11 H 0.486631 -0.270405 0.066668 0.044 Uiso 1 1 calc R U
C12 C 0.3932(4) -0.3938(4) 0.1074(3) 0.0454(10) Uani 1 1 d . .
H12 H 0.454841 -0.437161 0.134196 0.054 Uiso 1 1 calc R U
C13 C 0.4271(3) 0.1086(3) 0.08548(19) 0.0243(6) Uani 1 1 d . .
C14 C 0.4092(2) 0.1760(3) 0.15850(18) 0.0238(6) Uani 1 1 d . .
C15 C 0.3388(3) 0.1286(3) 0.2079(2) 0.0270(7) Uani 1 1 d . .
H15 H 0.310152 0.054139 0.197335 0.032 Uiso 1 1 calc R U
C16 C 0.3110(3) 0.1888(3) 0.2714(2) 0.0284(7) Uani 1 1 d . .
H16 H 0.264147 0.154911 0.303101 0.034 Uiso 1 1 calc R U
C17 C 0.4273(3) 0.3473(3) 0.24367(19) 0.0266(7) Uani 1 1 d . .
H17 H 0.458876 0.420123 0.256377 0.032 Uiso 1 1 calc R U
C18 C 0.3527(3) 0.3010(3) 0.28877(19) 0.0261(6) Uani 1 1 d . .
C19 C 0.3140(3) 0.3696(3) 0.3552(2) 0.0291(7) Uani 1 1 d . .
C20 C 0.4553(2) 0.2862(3) 0.17983(19) 0.0248(6) Uani 1 1 d . .
C21 C 0.6412(3) 0.3348(3) 0.15862(19) 0.0267(7) Uani 1 1 d . .
C22 C 0.7069(3) 0.4164(3) 0.1276(2) 0.0318(7) Uani 1 1 d . .
H22 H 0.671959 0.471454 0.090812 0.038 Uiso 1 1 calc R U
C23 C 0.8240(3) 0.4148(3) 0.1520(2) 0.0363(8) Uani 1 1 d . .
H23 H 0.867915 0.469812 0.131592 0.044 Uiso 1 1 calc R U
C24 C 0.8788(3) 0.3331(3) 0.2064(2) 0.0343(8) Uani 1 1 d . .
C25 C 0.8119(3) 0.2493(4) 0.2342(3) 0.0440(9) Uani 1 1 d . .
H25 H 0.847170 0.192664 0.269541 0.053 Uiso 1 1 calc R U
C26 C 0.6932(3) 0.2489(3) 0.2100(2) 0.0396(9) Uani 1 1 d . .
H26 H 0.649229 0.191648 0.228078 0.047 Uiso 1 1 calc R U
C27 C 1.0040(3) 0.3381(4) 0.2360(2) 0.0400(9) Uani 1 1 d . .
O1 O 0.3573(2) 0.0277(2) 0.06479(14) 0.0340(5) Uani 1 1 d . .
O2 O 0.50539(19) 0.1378(2) 0.04979(14) 0.0326(5) Uani 1 1 d . .
O3 O 0.2416(2) 0.3235(2) 0.39112(15) 0.0376(6) Uani 1 1 d . .
O4 O 0.3557(2) 0.4693(2) 0.36916(15) 0.0358(6) Uani 1 1 d . .
O5 O 0.52371(18) 0.34296(19) 0.13348(14) 0.0290(5) Uani 1 1 d . .
O6 O 1.0392(2) 0.2653(3) 0.29609(18) 0.0554(8) Uani 1 1 d . .
H6A H 1.107118 0.277413 0.315005 0.083 Uiso 1 1 d R U
O7 O 1.0671(2) 0.4038(3) 0.2114(2) 0.0593(9) Uani 1 1 d . .
O8 O 0.3132(6) 0.1395(7) 0.4943(5) 0.190(3) Uani 1 1 d . U
H8A H 0.382773 0.137066 0.511175 0.285 Uiso 1 1 d R U
H8B H 0.299428 0.198427 0.467151 0.285 Uiso 1 1 d R U
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 Zn1 O4 111.54(11) . 4_565
O1 Zn1 O2 112.52(10) . 3_655
O4 Zn1 O2 84.71(10) 4_565 3_655
O1 Zn1 N2 100.04(11) . .
O4 Zn1 N2 100.97(11) 4_565 .
O2 Zn1 N2 142.31(11) 3_655 .
O1 Zn1 N1 94.07(10) . .
O4 Zn1 N1 154.18(11) 4_565 .
O2 Zn1 N1 82.38(10) 3_655 .
N2 Zn1 N1 76.71(11) . .
C11 N1 C8 118.2(3) . .
C11 N1 Zn1 127.9(2) . .
C8 N1 Zn1 113.9(2) . .
C1 N2 C9 117.6(3) . .
C1 N2 Zn1 127.6(3) . .
C9 N2 Zn1 114.7(2) . .
N2 C1 C2 123.0(4) . .
N2 C1 H1 127(3) . .
C2 C1 H1 109(3) . .
C3 C2 C1 119.2(4) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C4 119.6(4) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C9 C4 C3 116.9(4) . .
C9 C4 C5 119.5(4) . .
C3 C4 C5 123.6(4) . .
C6 C5 C4 121.5(4) . .
C6 C5 H5 119.2 . .
C4 C5 H5 119.2 . .
C5 C6 C7 120.8(4) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C10 C7 C8 116.6(3) . .
C10 C7 C6 124.4(4) . .
C8 C7 C6 119.0(3) . .
N1 C8 C7 122.9(3) . .
N1 C8 C9 117.6(3) . .
C7 C8 C9 119.5(3) . .
N2 C9 C4 123.6(3) . .
N2 C9 C8 116.7(3) . .
C4 C9 C8 119.6(3) . .
C12 C10 C7 120.2(4) . .
C12 C10 H10 119.9 . .
C7 C10 H10 119.9 . .
N1 C11 C12 123.5(3) . .
N1 C11 H11 118.2 . .
C12 C11 H11 118.2 . .
C10 C12 C11 118.6(4) . .
C10 C12 H12 120.7 . .
C11 C12 H12 120.7 . .
O2 C13 O1 125.5(3) . .
O2 C13 C14 119.4(3) . .
O1 C13 C14 115.1(3) . .
C15 C14 C20 116.8(3) . .
C15 C14 C13 118.5(3) . .
C20 C14 C13 124.7(3) . .
C16 C15 C14 121.7(3) . .
C16 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
C15 C16 C18 120.5(3) . .
C15 C16 H16 119.7 . .
C18 C16 H16 119.7 . .
C20 C17 C18 120.4(3) . .
C20 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C17 C18 C16 118.8(3) . .
C17 C18 C19 121.4(3) . .
C16 C18 C19 119.8(3) . .
O4 C19 O3 125.2(3) . .
O4 C19 C18 117.1(3) . .
O3 C19 C18 117.7(3) . .
C17 C20 O5 116.7(3) . .
C17 C20 C14 121.5(3) . .
O5 C20 C14 121.5(3) . .
O5 C21 C26 123.0(3) . .
O5 C21 C22 116.4(3) . .
C26 C21 C22 120.6(3) . .
C23 C22 C21 119.2(3) . .
C23 C22 H22 120.4 . .
C21 C22 H22 120.4 . .
C22 C23 C24 121.8(3) . .
C22 C23 H23 119.1 . .
C24 C23 H23 119.1 . .
C25 C24 C23 118.2(3) . .
C25 C24 C27 121.1(3) . .
C23 C24 C27 120.7(3) . .
C24 C25 C26 121.0(4) . .
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 . .
C21 C26 C25 119.1(3) . .
C21 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
O7 C27 O6 122.9(3) . .
O7 C27 C24 124.4(4) . .
O6 C27 C24 112.6(3) . .
C13 O1 Zn1 126.8(2) . .
C13 O2 Zn1 135.3(2) . 3_655
C19 O4 Zn1 124.9(2) . 4_566
C21 O5 C20 117.2(2) . .
C27 O6 H6A 109.5 . .
H8A O8 H8B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.978(2) .
Zn1 O4 2.012(2) 4_565
Zn1 O2 2.058(2) 3_655
Zn1 N2 2.149(3) .
Zn1 N1 2.156(3) .
N1 C11 1.325(4) .
N1 C8 1.359(4) .
N2 C1 1.326(5) .
N2 C9 1.355(4) .
C1 C2 1.393(6) .
C1 H1 0.96(5) .
C2 C3 1.367(7) .
C2 H2 0.9300 .
C3 C4 1.406(6) .
C3 H3 0.9300 .
C4 C9 1.394(5) .
C4 C5 1.433(5) .
C5 C6 1.334(6) .
C5 H5 0.9300 .
C6 C7 1.439(5) .
C6 H6 0.9300 .
C7 C10 1.410(6) .
C7 C8 1.413(5) .
C8 C9 1.433(5) .
C10 C12 1.377(6) .
C10 H10 0.9300 .
C11 C12 1.393(5) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 O2 1.246(4) .
C13 O1 1.254(4) .
C13 C14 1.508(4) .
C14 C15 1.400(4) .
C14 C20 1.406(4) .
C15 C16 1.370(5) .
C15 H15 0.9300 .
C16 C18 1.399(5) .
C16 H16 0.9300 .
C17 C20 1.381(4) .
C17 C18 1.382(4) .
C17 H17 0.9300 .
C18 C19 1.515(4) .
C19 O4 1.259(4) .
C19 O3 1.262(4) .
C20 O5 1.395(4) .
C21 O5 1.381(4) .
C21 C26 1.384(5) .
C21 C22 1.389(4) .
C22 C23 1.372(5) .
C22 H22 0.9300 .
C23 C24 1.389(5) .
C23 H23 0.9300 .
C24 C25 1.389(5) .
C24 C27 1.476(5) .
C25 C26 1.391(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 O7 1.196(5) .
C27 O6 1.322(5) .
O6 H6A 0.8200 .
O8 H8A 0.8206 .
O8 H8B 0.8202 .
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
O8 H8B O3 0.82 1.97 2.778(8) 169.3 .
O8 H8A O5 0.82 2.41 3.091(7) 141.5 4_566
O6 H6A O3 0.82 1.92 2.705(4) 159.3 1_655
C22 H22 O8 0.93 2.44 3.280(9) 149.8 2_655
C11 H11 O2 0.93 2.51 2.965(4) 110.4 3_655
C1 H1 O3 0.96(5) 2.41(5) 3.145(5) 132(4) 4_565
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
C9 N2 C1 C2 1.1(8) .
Zn1 N2 C1 C2 -175.1(4) .
N2 C1 C2 C3 -0.3(10) .
C1 C2 C3 C4 -1.3(9) .
C2 C3 C4 C9 2.0(7) .
C2 C3 C4 C5 -178.3(5) .
C9 C4 C5 C6 -1.3(7) .
C3 C4 C5 C6 178.9(5) .
C4 C5 C6 C7 0.5(7) .
C5 C6 C7 C10 -178.0(4) .
C5 C6 C7 C8 0.8(6) .
C11 N1 C8 C7 0.4(5) .
Zn1 N1 C8 C7 -177.2(3) .
C11 N1 C8 C9 -178.1(3) .
Zn1 N1 C8 C9 4.2(4) .
C10 C7 C8 N1 -0.9(5) .
C6 C7 C8 N1 -179.8(3) .
C10 C7 C8 C9 177.6(3) .
C6 C7 C8 C9 -1.3(5) .
C1 N2 C9 C4 -0.3(6) .
Zn1 N2 C9 C4 176.3(3) .
C1 N2 C9 C8 178.0(4) .
Zn1 N2 C9 C8 -5.4(4) .
C3 C4 C9 N2 -1.2(6) .
C5 C4 C9 N2 179.0(4) .
C3 C4 C9 C8 -179.4(4) .
C5 C4 C9 C8 0.8(6) .
N1 C8 C9 N2 0.8(5) .
C7 C8 C9 N2 -177.9(3) .
N1 C8 C9 C4 179.1(3) .
C7 C8 C9 C4 0.5(5) .
C8 C7 C10 C12 0.9(6) .
C6 C7 C10 C12 179.8(4) .
C8 N1 C11 C12 0.0(6) .
Zn1 N1 C11 C12 177.3(3) .
C7 C10 C12 C11 -0.5(6) .
N1 C11 C12 C10 0.0(6) .
O2 C13 C14 C15 -166.4(3) .
O1 C13 C14 C15 15.4(4) .
O2 C13 C14 C20 15.7(5) .
O1 C13 C14 C20 -162.4(3) .
C20 C14 C15 C16 3.4(5) .
C13 C14 C15 C16 -174.6(3) .
C14 C15 C16 C18 0.1(5) .
C20 C17 C18 C16 3.4(5) .
C20 C17 C18 C19 -175.6(3) .
C15 C16 C18 C17 -3.5(5) .
C15 C16 C18 C19 175.4(3) .
C17 C18 C19 O4 -2.2(5) .
C16 C18 C19 O4 178.8(3) .
C17 C18 C19 O3 176.7(3) .
C16 C18 C19 O3 -2.2(4) .
C18 C17 C20 O5 174.9(3) .
C18 C17 C20 C14 0.2(5) .
C15 C14 C20 C17 -3.6(4) .
C13 C14 C20 C17 174.3(3) .
C15 C14 C20 O5 -178.1(3) .
C13 C14 C20 O5 -0.2(5) .
O5 C21 C22 C23 178.3(3) .
C26 C21 C22 C23 -3.5(5) .
C21 C22 C23 C24 0.5(6) .
C22 C23 C24 C25 2.1(6) .
C22 C23 C24 C27 -175.7(3) .
C23 C24 C25 C26 -1.7(6) .
C27 C24 C25 C26 176.1(4) .
O5 C21 C26 C25 -178.0(3) .
C22 C21 C26 C25 3.9(6) .
C24 C25 C26 C21 -1.2(6) .
C25 C24 C27 O7 175.8(4) .
C23 C24 C27 O7 -6.5(6) .
C25 C24 C27 O6 -7.4(5) .
C23 C24 C27 O6 170.4(4) .
O2 C13 O1 Zn1 -6.1(5) .
C14 C13 O1 Zn1 171.9(2) .
O1 C13 O2 Zn1 -70.2(5) 3_655
C14 C13 O2 Zn1 111.8(3) 3_655
O3 C19 O4 Zn1 12.6(5) 4_566
C18 C19 O4 Zn1 -168.6(2) 4_566
C26 C21 O5 C20 20.0(5) .
C22 C21 O5 C20 -161.9(3) .
C17 C20 O5 C21 87.8(3) .
C14 C20 O5 C21 -97.5(3) .
