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#$Date: 2022-04-05 11:27:21 +0300 (Tue, 05 Apr 2022) $
#$Revision: 274340 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/50/8105028.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_8105028
loop_
_publ_author_name
'Li, Yesheng'
'Chen, Huating'
'Chen, Han'
'Hu, Xingen'
'Xiao, Hongping'
_publ_section_title
;
 The crystal structure of
 diaqua-bis(μ2-3-((3-acetyl-5-carboxyphenyl)oxidophosphoryl)-5-carboxybenzoato-κ2O:O′)bis(5,5′-dimethyl-2,2′-bipyridine-k2N,N′)zinc(II),
 C56H46N4O22P2Zn2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              95
_journal_page_last               97
_journal_paper_doi               10.1515/ncrs-2019-0517
_journal_volume                  235
_journal_year                    2019
_chemical_formula_moiety         'C56 H46 N4 O22 P2 Zn2'
_chemical_formula_sum            'C56 H46 N4 O22 P2 Zn2'
_chemical_formula_weight         1319.65
_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'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 112.709(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6537(4)
_cell_length_b                   31.1374(11)
_cell_length_c                   9.8927(4)
_cell_measurement_reflns_used    8630
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      67.94
_cell_measurement_theta_min      5.44
_cell_volume                     2743.13(19)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2018) and DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2018) and and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0141
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11995
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        65.495
_diffrn_reflns_theta_max         65.495
_diffrn_reflns_theta_min         5.622
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.390
_exptl_absorpt_correction_T_max  0.607
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2014)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         4601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0341
_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)+(0.0480P)²+1.7851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4464
_reflns_number_total             4601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0517_suppl.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8105028
_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   0.575
_shelx_estimated_absorpt_t_max   0.634
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.56539(3) 0.05904(2) 0.41400(3) 0.03230(11) Uani 1 1 d . . . . .
P1 P 0.55669(5) 0.13201(2) 0.18781(5) 0.02594(13) Uani 1 1 d . . . . .
O1 O 0.62563(19) 0.00431(6) -0.13473(19) 0.0504(4) Uani 1 1 d . . . . .
O2 O 0.41927(18) 0.00032(5) -0.33994(17) 0.0436(4) Uani 1 1 d . . . . .
O3 O 0.0381(2) 0.11430(8) -0.4553(2) 0.0781(7) Uani 1 1 d . . . . .
O4 O 0.0456(2) 0.16065(6) -0.2826(2) 0.0573(5) Uani 1 1 d . . . . .
H4 H -0.030432 0.169954 -0.347643 0.086 Uiso 1 1 calc R U . . .
O5 O 0.56429(16) 0.27494(5) -0.09109(17) 0.0404(4) Uani 1 1 d . . . . .
H5 H 0.542523 0.298041 -0.133937 0.061 Uiso 1 1 calc R U . . .
O6 O 0.79124(19) 0.30468(5) 0.0047(2) 0.0522(5) Uani 1 1 d . . . . .
O7 O 1.18952(17) 0.18832(6) 0.1758(2) 0.0514(4) Uani 1 1 d . . . . .
H7 H 1.271495 0.176999 0.194215 0.077 Uiso 1 1 calc R U . . .
O8 O 1.11941(18) 0.12134(6) 0.1963(2) 0.0564(5) Uani 1 1 d . . . . .
O9 O 0.63644(16) 0.09667(5) 0.29121(15) 0.0332(3) Uani 1 1 d . . . . .
O10 O 0.45649(15) 0.16175(5) 0.23122(16) 0.0328(3) Uani 1 1 d . . . . .
O11 O 0.33616(18) 0.05716(5) 0.2936(2) 0.0459(4) Uani 1 1 d . . . . .
H11A H 0.328442 0.037761 0.230658 0.069 Uiso 1 1 d R U . . .
H11B H 0.276688 0.077719 0.253040 0.069 Uiso 1 1 d R U . . .
N1 N 0.5413(2) 0.10551(6) 0.5605(2) 0.0394(4) Uani 1 1 d . . . . .
N2 N 0.7580(2) 0.04855(6) 0.6040(2) 0.0397(4) Uani 1 1 d . . . . .
C1 C 0.4490(2) 0.10918(6) 0.0100(2) 0.0292(4) Uani 1 1 d . . . . .
C2 C 0.5065(2) 0.07334(7) -0.0337(2) 0.0317(4) Uani 1 1 d . . . . .
H2 H 0.595561 0.061152 0.030397 0.038 Uiso 1 1 calc R U . . .
C3 C 0.4332(2) 0.05536(6) -0.1716(2) 0.0324(4) Uani 1 1 d . . . . .
C4 C 0.2998(2) 0.07372(7) -0.2657(2) 0.0359(5) Uani 1 1 d . . . . .
H4A H 0.249685 0.061925 -0.358184 0.043 Uiso 1 1 calc R U . . .
C5 C 0.2402(2) 0.10934(7) -0.2238(2) 0.0358(5) Uani 1 1 d . . . . .
C6 C 0.3149(2) 0.12736(7) -0.0851(2) 0.0336(4) Uani 1 1 d . . . . .
H6 H 0.275423 0.151311 -0.056535 0.040 Uiso 1 1 calc R U . . .
C7 C 0.4995(2) 0.01679(7) -0.2173(2) 0.0348(5) Uani 1 1 d . . . . .
C8 C 0.0982(3) 0.12776(8) -0.3334(3) 0.0470(6) Uani 1 1 d . . . . .
C9 C 0.6958(2) 0.16556(6) 0.1588(2) 0.0280(4) Uani 1 1 d . . . . .
C10 C 0.6537(2) 0.20610(7) 0.0967(2) 0.0305(4) Uani 1 1 d . . . . .
H10 H 0.555763 0.215553 0.073252 0.037 Uiso 1 1 calc R U . . .
C11 C 0.7557(2) 0.23263(7) 0.0692(2) 0.0319(4) Uani 1 1 d . . . . .
C12 C 0.9020(2) 0.21843(7) 0.1032(2) 0.0352(5) Uani 1 1 d . . . . .
H12 H 0.971957 0.236359 0.088488 0.042 Uiso 1 1 calc R U . . .
C13 C 0.9431(2) 0.17740(7) 0.1591(2) 0.0342(4) Uani 1 1 d . . . . .
C14 C 0.8410(2) 0.15118(7) 0.1891(2) 0.0326(4) Uani 1 1 d . . . . .
H14 H 0.870287 0.124049 0.229323 0.039 Uiso 1 1 calc R U . . .
C15 C 0.7077(2) 0.27465(7) -0.0061(2) 0.0336(4) Uani 1 1 d . . . . .
C16 C 1.0931(2) 0.15930(7) 0.1801(3) 0.0379(5) Uani 1 1 d . . . . .
C17 C 0.4295(3) 0.13402(8) 0.5280(3) 0.0465(6) Uani 1 1 d . . . . .
H17 H 0.343459 0.129308 0.444390 0.056 Uiso 1 1 calc R U . . .
C18 C 0.4343(3) 0.17020(9) 0.6115(3) 0.0539(7) Uani 1 1 d . . . . .
C19 C 0.5634(4) 0.17554(10) 0.7349(3) 0.0671(8) Uani 1 1 d . . . . .
H19 H 0.573315 0.199540 0.793852 0.081 Uiso 1 1 calc R U . . .
C20 C 0.6776(4) 0.14602(10) 0.7723(3) 0.0639(8) Uani 1 1 d . . . . .
H20 H 0.763297 0.149616 0.857105 0.077 Uiso 1 1 calc R U . . .
C21 C 0.6642(3) 0.11076(8) 0.6824(2) 0.0439(5) Uani 1 1 d . . . . .
C22 C 0.7803(3) 0.07696(8) 0.7127(2) 0.0434(5) Uani 1 1 d . . . . .
C23 C 0.9044(3) 0.07341(10) 0.8433(3) 0.0578(7) Uani 1 1 d . . . . .
H23 H 0.919800 0.093130 0.918321 0.069 Uiso 1 1 calc R U . . .
C24 C 1.0051(3) 0.04031(10) 0.8609(3) 0.0616(8) Uani 1 1 d . . . . .
H24 H 1.088915 0.037895 0.947982 0.074 Uiso 1 1 calc R U . . .
C25 C 0.9825(3) 0.01080(9) 0.7505(3) 0.0516(6) Uani 1 1 d . . . . .
C26 C 0.8561(3) 0.01660(8) 0.6233(3) 0.0459(6) Uani 1 1 d . . . . .
H26 H 0.838569 -0.002825 0.547035 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3081(4) 0.20210(10) 0.5669(4) 0.0733(9) Uani 1 1 d . . . . .
H27A H 0.300754 0.214393 0.652923 0.110 Uiso 1 1 calc R U . . .
H27B H 0.215612 0.187914 0.509981 0.110 Uiso 1 1 calc R U . . .
H27C H 0.327221 0.224422 0.509441 0.110 Uiso 1 1 calc R U . . .
C28 C 1.0875(3) -0.02632(11) 0.7644(4) 0.0699(9) Uani 1 1 d . . . . .
H28A H 1.186138 -0.015541 0.782063 0.105 Uiso 1 1 calc R U . . .
H28B H 1.051706 -0.042747 0.675433 0.105 Uiso 1 1 calc R U . . .
H28C H 1.091485 -0.044289 0.844712 0.105 Uiso 1 1 calc 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
O9 Zn1 O2 103.12(7) . 3_655
O9 Zn1 O11 102.07(7) . .
O2 Zn1 O11 88.69(6) 3_655 .
O9 Zn1 N2 104.10(7) . .
O2 Zn1 N2 91.09(7) 3_655 .
O11 Zn1 N2 153.16(8) . .
O9 Zn1 N1 99.77(7) . .
O2 Zn1 N1 156.39(7) 3_655 .
O11 Zn1 N1 92.15(7) . .
N2 Zn1 N1 77.70(8) . .
O9 P1 O10 118.13(9) . .
O9 P1 C1 109.06(9) . .
O10 P1 C1 109.01(8) . .
O9 P1 C9 108.39(9) . .
O10 P1 C9 106.62(9) . .
C1 P1 C9 104.81(9) . .
C7 O2 Zn1 127.96(14) . 3_655
C8 O4 H4 109.5 . .
C15 O5 H5 109.5 . .
C16 O7 H7 109.5 . .
P1 O9 Zn1 129.95(9) . .
Zn1 O11 H11A 102.3 . .
Zn1 O11 H11B 128.9 . .
H11A O11 H11B 109.7 . .
C21 N1 C17 119.3(2) . .
C21 N1 Zn1 114.00(16) . .
C17 N1 Zn1 125.39(16) . .
C26 N2 C22 119.4(2) . .
C26 N2 Zn1 125.32(16) . .
C22 N2 Zn1 115.31(16) . .
C2 C1 C6 119.68(19) . .
C2 C1 P1 118.08(15) . .
C6 C1 P1 122.18(16) . .
C1 C2 C3 121.14(19) . .
C1 C2 H2 119.4 . .
C3 C2 H2 119.4 . .
C4 C3 C2 118.75(19) . .
C4 C3 C7 121.21(19) . .
C2 C3 C7 120.03(19) . .
C5 C4 C3 121.0(2) . .
C5 C4 H4A 119.5 . .
C3 C4 H4A 119.5 . .
C4 C5 C6 119.92(19) . .
C4 C5 C8 117.5(2) . .
C6 C5 C8 122.6(2) . .
C1 C6 C5 119.51(19) . .
C1 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
O1 C7 O2 125.9(2) . .
O1 C7 C3 118.36(19) . .
O2 C7 C3 115.77(19) . .
O3 C8 O4 123.1(2) . .
O3 C8 C5 123.3(2) . .
O4 C8 C5 113.6(2) . .
C14 C9 C10 119.01(18) . .
C14 C9 P1 121.89(15) . .
C10 C9 P1 119.00(15) . .
C11 C10 C9 121.09(18) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 119.55(19) . .
C10 C11 C15 120.88(18) . .
C12 C11 C15 119.41(19) . .
C13 C12 C11 119.7(2) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C12 C13 C14 120.42(19) . .
C12 C13 C16 121.1(2) . .
C14 C13 C16 118.42(19) . .
C9 C14 C13 120.09(19) . .
C9 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
O6 C15 O5 123.5(2) . .
O6 C15 C11 124.47(19) . .
O5 C15 C11 111.96(18) . .
O8 C16 O7 124.3(2) . .
O8 C16 C13 122.1(2) . .
O7 C16 C13 113.50(19) . .
N1 C17 C18 123.9(3) . .
N1 C17 H17 118.0 . .
C18 C17 H17 118.0 . .
C19 C18 C17 115.9(3) . .
C19 C18 C27 122.3(3) . .
C17 C18 C27 121.8(3) . .
C20 C19 C18 121.1(3) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 119.4(3) . .
C19 C20 H20 120.3 . .
C21 C20 H20 120.3 . .
N1 C21 C20 120.4(3) . .
N1 C21 C22 115.8(2) . .
C20 C21 C22 123.8(2) . .
N2 C22 C23 120.4(3) . .
N2 C22 C21 115.5(2) . .
C23 C22 C21 124.1(2) . .
C24 C23 C22 119.4(3) . .
C24 C23 H23 120.3 . .
C22 C23 H23 120.3 . .
C25 C24 C23 120.6(2) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C24 C25 C26 116.5(3) . .
C24 C25 C28 122.9(3) . .
C26 C25 C28 120.6(3) . .
N2 C26 C25 123.6(2) . .
N2 C26 H26 118.2 . .
C25 C26 H26 118.2 . .
C18 C27 H27A 109.5 . .
C18 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C18 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O9 1.9904(14) .
Zn1 O2 2.0146(15) 3_655
Zn1 O11 2.0698(16) .
Zn1 N2 2.0973(18) .
Zn1 N1 2.1230(18) .
P1 O9 1.4974(15) .
P1 O10 1.5160(14) .
P1 C1 1.808(2) .
P1 C9 1.809(2) .
O1 C7 1.238(3) .
O2 C7 1.269(3) .
O3 C8 1.195(3) .
O4 C8 1.326(3) .
O4 H4 0.8200 .
O5 C15 1.313(3) .
O5 H5 0.8200 .
O6 C15 1.212(3) .
O7 C16 1.310(3) .
O7 H7 0.8200 .
O8 C16 1.207(3) .
O11 H11A 0.8499 .
O11 H11B 0.8499 .
N1 C21 1.336(3) .
N1 C17 1.337(3) .
N2 C26 1.336(3) .
N2 C22 1.344(3) .
C1 C2 1.387(3) .
C1 C6 1.393(3) .
C2 C3 1.389(3) .
C2 H2 0.9300 .
C3 C4 1.388(3) .
C3 C7 1.510(3) .
C4 C5 1.384(3) .
C4 H4A 0.9300 .
C5 C6 1.398(3) .
C5 C8 1.495(3) .
C6 H6 0.9300 .
C9 C14 1.390(3) .
C9 C10 1.394(3) .
C10 C11 1.390(3) .
C10 H10 0.9300 .
C11 C12 1.392(3) .
C11 C15 1.488(3) .
C12 C13 1.388(3) .
C12 H12 0.9300 .
C13 C14 1.397(3) .
C13 C16 1.492(3) .
C14 H14 0.9300 .
C17 C18 1.387(4) .
C17 H17 0.9300 .
C18 C19 1.377(5) .
C18 C27 1.500(4) .
C19 C20 1.372(5) .
C19 H19 0.9300 .
C20 C21 1.387(4) .
C20 H20 0.9300 .
C21 C22 1.481(4) .
C22 C23 1.386(4) .
C23 C24 1.381(5) .
C23 H23 0.9300 .
C24 C25 1.378(4) .
C24 H24 0.9300 .
C25 C26 1.386(3) .
C25 C28 1.508(4) .
C26 H26 0.9300 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
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
_geom_hbond_publ_flag
C26 H26 O2 0.93 2.54 3.074(3) 116.6 3_655 yes
C17 H17 O8 0.93 2.58 3.507(3) 173.4 1_455 yes
O11 H11B O8 0.85 1.95 2.783(2) 165.6 1_455 yes
O11 H11A O1 0.85 1.77 2.592(2) 161.6 3_655 yes
O7 H7 O10 0.82 1.74 2.557(2) 170.2 1_655 yes
O5 H5 O10 0.82 1.78 2.578(2) 162.7 4_565 yes
O4 H4 O6 0.82 1.94 2.763(2) 176.5 4_465 yes
O11 H11B O8 0.85 1.95 2.783(2) 165.6 1_455 yes
O11 H11A O1 0.85 1.77 2.592(2) 161.6 3_655 yes
O7 H7 O10 0.82 1.74 2.557(2) 170.2 1_655 yes
O5 H5 O10 0.82 1.78 2.578(2) 162.7 4_565 yes
O4 H4 O6 0.82 1.94 2.763(2) 176.5 4_465 yes
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
O10 P1 O9 Zn1 39.20(14) . . . .
C1 P1 O9 Zn1 -85.93(13) . . . .
C9 P1 O9 Zn1 160.50(10) . . . .
O9 P1 C1 C2 -33.69(18) . . . .
O10 P1 C1 C2 -163.97(15) . . . .
C9 P1 C1 C2 82.19(17) . . . .
O9 P1 C1 C6 148.85(17) . . . .
O10 P1 C1 C6 18.6(2) . . . .
C9 P1 C1 C6 -95.26(18) . . . .
C6 C1 C2 C3 0.6(3) . . . .
P1 C1 C2 C3 -176.97(16) . . . .
C1 C2 C3 C4 -0.5(3) . . . .
C1 C2 C3 C7 179.02(19) . . . .
C2 C3 C4 C5 0.1(3) . . . .
C7 C3 C4 C5 -179.4(2) . . . .
C3 C4 C5 C6 0.2(3) . . . .
C3 C4 C5 C8 178.4(2) . . . .
C2 C1 C6 C5 -0.3(3) . . . .
P1 C1 C6 C5 177.14(16) . . . .
C4 C5 C6 C1 -0.1(3) . . . .
C8 C5 C6 C1 -178.2(2) . . . .
Zn1 O2 C7 O1 20.1(4) 3_655 . . .
Zn1 O2 C7 C3 -160.77(15) 3_655 . . .
C4 C3 C7 O1 173.1(2) . . . .
C2 C3 C7 O1 -6.4(3) . . . .
C4 C3 C7 O2 -6.1(3) . . . .
C2 C3 C7 O2 174.4(2) . . . .
C4 C5 C8 O3 -2.9(4) . . . .
C6 C5 C8 O3 175.3(3) . . . .
C4 C5 C8 O4 177.4(2) . . . .
C6 C5 C8 O4 -4.4(4) . . . .
O9 P1 C9 C14 19.27(19) . . . .
O10 P1 C9 C14 147.42(17) . . . .
C1 P1 C9 C14 -97.08(18) . . . .
O9 P1 C9 C10 -164.35(15) . . . .
O10 P1 C9 C10 -36.20(18) . . . .
C1 P1 C9 C10 79.31(17) . . . .
C14 C9 C10 C11 -2.0(3) . . . .
P1 C9 C10 C11 -178.53(16) . . . .
C9 C10 C11 C12 0.5(3) . . . .
C9 C10 C11 C15 175.90(19) . . . .
C10 C11 C12 C13 2.3(3) . . . .
C15 C11 C12 C13 -173.2(2) . . . .
C11 C12 C13 C14 -3.5(3) . . . .
C11 C12 C13 C16 172.7(2) . . . .
C10 C9 C14 C13 0.8(3) . . . .
P1 C9 C14 C13 177.21(16) . . . .
C12 C13 C14 C9 1.9(3) . . . .
C16 C13 C14 C9 -174.38(19) . . . .
C10 C11 C15 O6 156.3(2) . . . .
C12 C11 C15 O6 -28.3(3) . . . .
C10 C11 C15 O5 -26.3(3) . . . .
C12 C11 C15 O5 149.2(2) . . . .
C12 C13 C16 O8 -162.9(2) . . . .
C14 C13 C16 O8 13.4(3) . . . .
C12 C13 C16 O7 15.7(3) . . . .
C14 C13 C16 O7 -168.0(2) . . . .
C21 N1 C17 C18 2.1(4) . . . .
Zn1 N1 C17 C18 -163.78(19) . . . .
N1 C17 C18 C19 -0.6(4) . . . .
N1 C17 C18 C27 177.6(3) . . . .
C17 C18 C19 C20 -1.2(4) . . . .
C27 C18 C19 C20 -179.4(3) . . . .
C18 C19 C20 C21 1.5(5) . . . .
C17 N1 C21 C20 -1.8(4) . . . .
Zn1 N1 C21 C20 165.7(2) . . . .
C17 N1 C21 C22 178.0(2) . . . .
Zn1 N1 C21 C22 -14.6(2) . . . .
C19 C20 C21 N1 0.0(4) . . . .
C19 C20 C21 C22 -179.7(3) . . . .
C26 N2 C22 C23 0.5(4) . . . .
Zn1 N2 C22 C23 -179.59(19) . . . .
C26 N2 C22 C21 -178.9(2) . . . .
Zn1 N2 C22 C21 1.0(3) . . . .
N1 C21 C22 N2 9.2(3) . . . .
C20 C21 C22 N2 -171.0(2) . . . .
N1 C21 C22 C23 -170.2(2) . . . .
C20 C21 C22 C23 9.6(4) . . . .
N2 C22 C23 C24 -0.1(4) . . . .
C21 C22 C23 C24 179.2(2) . . . .
C22 C23 C24 C25 -0.4(4) . . . .
C23 C24 C25 C26 0.6(4) . . . .
C23 C24 C25 C28 -179.1(3) . . . .
C22 N2 C26 C25 -0.3(4) . . . .
Zn1 N2 C26 C25 179.79(19) . . . .
C24 C25 C26 N2 -0.2(4) . . . .
C28 C25 C26 N2 179.5(2) . . . .
