#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:27:19 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268663 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/26/7242629.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_7242629
loop_
_publ_author_name
'Wang, Xiuli'
'Li, Lei'
'Wang, Xiang'
'Zhang, Yuqing'
_publ_section_title
;
 Various amide-derived ligands induced five octamolybdate-based
 metal--organic complexes: synthesis, structure, electrochemical sensing
 and photocatalytic properties
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              5176
_journal_page_last               5183
_journal_paper_doi               10.1039/D1CE00266J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C26 H20 Mo8 N8 O28 Zn'
_chemical_formula_sum            'C26 H20 Mo8 N8 O28 Zn'
_chemical_formula_weight         1725.39
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-08-24
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2021-01-11 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.1060(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3998(3)
_cell_length_b                   12.4831(4)
_cell_length_c                   20.0657(7)
_cell_measurement_reflns_used    9352
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      2.43
_cell_volume                     2098.60(12)
_computing_cell_refinement       'SAINT V8.18C (?, 2016)'
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.0182
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15096
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.416
_diffrn_reflns_theta_min         1.923
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.977
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.730
_exptl_crystal_description       block
_exptl_crystal_F_000             1644
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         5266
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      82.470
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0224P)²+2.7016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0523
_refine_ls_wR_factor_ref         0.0539
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4781
_reflns_number_total             5266
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00266j2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7242626--7242630.cif.'
_cod_database_code               7242629
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N1(H1), N3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Mo1 Mo 0.30289(3) 0.96603(2) 0.52482(2) 0.01402(5) Uani 1 1 d . . . . .
Mo2 Mo 0.60567(3) 0.87327(2) 0.61368(2) 0.01642(6) Uani 1 1 d . . . . .
Mo3 Mo 0.42520(3) 0.85116(2) 0.39513(2) 0.01590(6) Uani 1 1 d . . . . .
Mo4 Mo 0.73623(3) 0.75790(2) 0.48192(2) 0.01755(6) Uani 1 1 d . . . . .
Zn1 Zn 0.500000 0.500000 0.500000 0.02273(10) Uani 1 2 d S . P . .
O1 O 0.2814(2) 0.96645(14) 0.42669(9) 0.0162(4) Uani 1 1 d . . . . .
O2 O 0.7787(2) 0.80891(15) 0.57098(9) 0.0199(4) Uani 1 1 d . . . . .
O3 O 0.4366(2) 0.98426(14) 0.60770(9) 0.0168(4) Uani 1 1 d . . . . .
O4 O 0.6310(2) 0.79013(16) 0.39649(9) 0.0212(4) Uani 1 1 d . . . . .
O5 O 0.5824(2) 0.48198(17) 0.60095(10) 0.0252(4) Uani 1 1 d . . . . .
O6 O 0.5215(2) 0.88996(15) 0.50134(9) 0.0166(4) Uani 1 1 d . . . . .
O7 O 0.1762(2) 1.07534(16) 0.53623(9) 0.0207(4) Uani 1 1 d . . . . .
O8 O 0.3782(3) 0.86629(16) 0.31105(10) 0.0245(4) Uani 1 1 d . . . . .
O9 O 0.3111(3) 0.74683(16) 0.41737(10) 0.0253(4) Uani 1 1 d . . . . .
O10 O 0.6997(3) 0.90557(17) 0.68914(10) 0.0265(4) Uani 1 1 d . . . . .
O11 O 0.6191(3) 0.65020(16) 0.50012(10) 0.0281(5) Uani 1 1 d . . . . .
O12 O 0.4939(3) 0.76423(16) 0.62919(11) 0.0274(5) Uani 1 1 d . . . . .
O13 O 0.1951(2) 0.85701(16) 0.54136(10) 0.0251(4) Uani 1 1 d . . . . .
O14 O 0.9086(3) 0.70235(19) 0.46140(11) 0.0317(5) Uani 1 1 d D . . . .
N1 N 1.0040(3) 0.5863(2) 0.83900(13) 0.0291(6) Uani 1 1 d . . . . .
H1 H 1.082964 0.562812 0.864559 0.035 Uiso 1 1 calc R U . . .
N2 N 0.3064(3) 0.5633(2) 0.54897(12) 0.0247(5) Uani 1 1 d . . . . .
N3 N 0.5139(3) 0.5142(2) 0.70603(12) 0.0257(5) Uani 1 1 d . . . . .
H3 H 0.442324 0.541342 0.729547 0.031 Uiso 1 1 calc R U . . .
C1 C 0.7685(3) 0.5527(2) 0.76819(13) 0.0217(6) Uani 1 1 d . . . . .
C2 C 0.3212(4) 0.5434(2) 0.61446(14) 0.0216(6) Uani 1 1 d . . . . .
N4 N 0.1584(4) 0.5960(2) 0.53581(14) 0.0370(7) Uani 1 1 d D . . . .
C3 C 0.4831(3) 0.5096(2) 0.64026(14) 0.0202(5) Uani 1 1 d . . . . .
C4 C 0.8992(3) 0.5133(3) 0.80951(14) 0.0233(6) Uani 1 1 d . . . . .
C5 C 0.7550(4) 0.6644(3) 0.75848(15) 0.0275(6) Uani 1 1 d . . . . .
H5 H 0.670549 0.691955 0.731218 0.033 Uiso 1 1 calc R U . . .
C6 C 0.8650(4) 0.7321(3) 0.78883(17) 0.0322(7) Uani 1 1 d . . . . .
H6 H 0.856467 0.805632 0.781943 0.039 Uiso 1 1 calc R U . . .
C7 C 0.6578(4) 0.4771(2) 0.74009(13) 0.0237(6) Uani 1 1 d . . . . .
C8 C 0.9899(4) 0.6906(3) 0.83013(16) 0.0331(7) Uani 1 1 d . . . . .
H8 H 1.063869 0.736659 0.851637 0.040 Uiso 1 1 calc R U . . .
C9 C 0.9204(4) 0.4032(3) 0.82096(16) 0.0318(7) Uani 1 1 d . . . . .
H9 H 1.005956 0.378346 0.848662 0.038 Uiso 1 1 calc R U . . .
C10 C 0.8138(4) 0.3336(3) 0.79091(17) 0.0337(7) Uani 1 1 d . . . . .
H10 H 0.828633 0.260350 0.797079 0.040 Uiso 1 1 calc R U . . .
C11 C 0.6809(4) 0.3706(3) 0.75052(16) 0.0308(7) Uani 1 1 d . . . . .
H11 H 0.608532 0.321631 0.730847 0.037 Uiso 1 1 calc R U . . .
C12 C 0.1783(4) 0.5605(3) 0.64384(17) 0.0362(8) Uani 1 1 d . . . . .
H12 H 0.156951 0.551036 0.688308 0.043 Uiso 1 1 calc R U . . .
C13 C 0.0762(4) 0.5946(4) 0.5917(2) 0.0467(10) Uani 1 1 d . . . . .
H13 H -0.030335 0.613516 0.594228 0.056 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 0.0033 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'
Mo Mo -1.6832 0.6857 '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
O1 Mo1 O6 78.48(7) . . ?
O1 Mo1 O6 78.07(7) . 3_676 ?
O3 Mo1 O1 149.27(8) . . ?
O3 Mo1 O6 76.97(7) . 3_676 ?
O3 Mo1 O6 77.86(7) . . ?
O6 Mo1 O6 74.67(7) . 3_676 ?
O7 Mo1 O1 96.63(8) . . ?
O7 Mo1 O3 96.63(8) . . ?
O7 Mo1 O6 155.14(8) . . ?
O7 Mo1 O6 80.47(8) . 3_676 ?
O13 Mo1 O1 100.82(9) . . ?
O13 Mo1 O3 102.21(9) . . ?
O13 Mo1 O6 99.57(9) . . ?
O13 Mo1 O6 174.24(9) . 3_676 ?
O13 Mo1 O7 105.29(10) . . ?
O2 Mo2 O1 82.34(7) . 3_676 ?
O2 Mo2 O3 146.04(8) . . ?
O2 Mo2 O6 77.96(7) . . ?
O3 Mo2 O1 72.13(7) . 3_676 ?
O3 Mo2 O6 73.24(7) . . ?
O6 Mo2 O1 72.27(6) . 3_676 ?
O10 Mo2 O1 86.15(9) . 3_676 ?
O10 Mo2 O2 100.28(9) . . ?
O10 Mo2 O3 99.94(9) . . ?
O10 Mo2 O6 158.41(9) . . ?
O12 Mo2 O1 167.61(8) . 3_676 ?
O12 Mo2 O2 101.14(9) . . ?
O12 Mo2 O3 99.71(9) . . ?
O12 Mo2 O6 96.67(9) . . ?
O12 Mo2 O10 104.73(10) . . ?
O1 Mo3 O3 72.09(7) . 3_676 ?
O1 Mo3 O6 74.59(7) . . ?
O4 Mo3 O1 148.75(8) . . ?
O4 Mo3 O3 84.28(8) . 3_676 ?
O4 Mo3 O6 78.97(7) . . ?
O6 Mo3 O3 72.26(6) . 3_676 ?
O8 Mo3 O1 97.47(9) . . ?
O8 Mo3 O3 87.67(8) . 3_676 ?
O8 Mo3 O4 101.80(9) . . ?
O8 Mo3 O6 159.80(9) . . ?
O9 Mo3 O1 95.92(9) . . ?
O9 Mo3 O3 164.21(9) . 3_676 ?
O9 Mo3 O4 102.74(9) . . ?
O9 Mo3 O6 94.98(8) . . ?
O9 Mo3 O8 104.41(10) . . ?
O2 Mo4 O4 144.35(8) . . ?
O2 Mo4 O6 73.84(7) . . ?
O2 Mo4 O7 78.53(8) . 3_676 ?
O4 Mo4 O6 73.05(7) . . ?
O4 Mo4 O7 78.20(8) . 3_676 ?
O7 Mo4 O6 70.22(7) 3_676 . ?
O11 Mo4 O2 97.67(9) . . ?
O11 Mo4 O4 96.89(9) . . ?
O11 Mo4 O6 93.01(9) . . ?
O11 Mo4 O7 163.22(9) . 3_676 ?
O14 Mo4 O2 105.10(10) . . ?
O14 Mo4 O4 102.57(10) . . ?
O14 Mo4 O6 162.71(10) . . ?
O14 Mo4 O7 92.57(10) . 3_676 ?
O14 Mo4 O11 104.19(11) . . ?
O5 Zn1 O5 180.0 . 3_666 ?
O5 Zn1 O11 88.33(8) 3_666 3_666 ?
O5 Zn1 O11 91.67(8) 3_666 . ?
O5 Zn1 O11 88.33(8) . . ?
O5 Zn1 O11 91.67(8) . 3_666 ?
O5 Zn1 N2 78.67(8) . . ?
O5 Zn1 N2 101.33(8) 3_666 . ?
O5 Zn1 N2 101.33(8) . 3_666 ?
O5 Zn1 N2 78.67(8) 3_666 3_666 ?
O11 Zn1 O11 180.00(11) . 3_666 ?
N2 Zn1 O11 92.71(9) . . ?
N2 Zn1 O11 87.29(9) . 3_666 ?
N2 Zn1 O11 92.71(9) 3_666 3_666 ?
N2 Zn1 O11 87.29(9) 3_666 . ?
N2 Zn1 N2 180.00(8) . 3_666 ?
Mo1 O1 Mo2 109.44(8) . 3_676 ?
Mo1 O1 Mo3 107.43(8) . . ?
Mo3 O1 Mo2 103.37(8) . 3_676 ?
Mo4 O2 Mo2 117.54(9) . . ?
Mo1 O3 Mo2 109.65(9) . . ?
Mo1 O3 Mo3 109.55(8) . 3_676 ?
Mo2 O3 Mo3 104.98(8) . 3_676 ?
Mo3 O4 Mo4 117.47(10) . . ?
C3 O5 Zn1 113.17(17) . . ?
Mo1 O6 Mo1 105.33(7) . 3_676 ?
Mo1 O6 Mo2 91.85(7) . . ?
Mo1 O6 Mo3 92.71(7) . . ?
Mo1 O6 Mo4 89.90(6) 3_676 . ?
Mo1 O6 Mo4 164.75(9) . . ?
Mo2 O6 Mo1 97.47(7) . 3_676 ?
Mo2 O6 Mo4 85.36(6) . . ?
Mo3 O6 Mo1 97.87(7) . 3_676 ?
Mo3 O6 Mo2 162.22(9) . . ?
Mo3 O6 Mo4 85.74(6) . . ?
Mo1 O7 Mo4 119.39(10) . 3_676 ?
Mo4 O11 Zn1 164.91(13) . . ?
C4 N1 H1 118.4 . . ?
C8 N1 H1 118.4 . . ?
C8 N1 C4 123.3(3) . . ?
C2 N2 Zn1 111.54(19) . . ?
N4 N2 Zn1 140.3(2) . . ?
N4 N2 C2 106.0(3) . . ?
C3 N3 H3 117.9 . . ?
C3 N3 C7 124.2(3) . . ?
C7 N3 H3 117.9 . . ?
C5 C1 C4 118.4(3) . . ?
C5 C1 C7 124.1(3) . . ?
C7 C1 C4 117.5(3) . . ?
N2 C2 C3 114.6(3) . . ?
N2 C2 C12 111.4(3) . . ?
C12 C2 C3 134.0(3) . . ?
N2 N4 C13 111.0(3) . . ?
O5 C3 N3 123.6(3) . . ?
O5 C3 C2 120.0(2) . . ?
N3 C3 C2 116.3(3) . . ?
N1 C4 C1 118.0(3) . . ?
N1 C4 C9 120.7(3) . . ?
C9 C4 C1 121.4(3) . . ?
C1 C5 H5 119.8 . . ?
C6 C5 C1 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C8 119.6(3) . . ?
C8 C6 H6 120.2 . . ?
C1 C7 N3 119.1(3) . . ?
C11 C7 N3 120.0(3) . . ?
C11 C7 C1 120.6(3) . . ?
N1 C8 C6 120.4(3) . . ?
N1 C8 H8 119.8 . . ?
C6 C8 H8 119.8 . . ?
C4 C9 H9 120.6 . . ?
C10 C9 C4 118.9(3) . . ?
C10 C9 H9 120.6 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C11 121.0(3) . . ?
C11 C10 H10 119.5 . . ?
C7 C11 C10 120.6(3) . . ?
C7 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C2 C12 H12 128.2 . . ?
C13 C12 C2 103.7(3) . . ?
C13 C12 H12 128.2 . . ?
N4 C13 C12 107.8(3) . . ?
N4 C13 H13 126.1 . . ?
C12 C13 H13 126.1 . . ?
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
Mo1 O1 1.9645(18) . ?
Mo1 O3 1.9524(18) . ?
Mo1 O6 2.1495(18) . ?
Mo1 O6 2.4070(19) 3_676 ?
Mo1 O7 1.7553(19) . ?
Mo1 O13 1.681(2) . ?
Mo2 O1 2.3812(19) 3_676 ?
Mo2 O2 1.916(2) . ?
Mo2 O3 1.9813(19) . ?
Mo2 O6 2.3231(17) . ?
Mo2 O10 1.705(2) . ?
Mo2 O12 1.695(2) . ?
Mo3 O1 2.0104(18) . ?
Mo3 O3 2.3623(19) 3_676 ?
Mo3 O4 1.8878(19) . ?
Mo3 O6 2.2767(17) . ?
Mo3 O8 1.7154(19) . ?
Mo3 O9 1.696(2) . ?
Mo4 O2 1.9065(18) . ?
Mo4 O4 1.9143(18) . ?
Mo4 O6 2.4946(18) . ?
Mo4 O7 2.246(2) 3_676 ?
Mo4 O11 1.721(2) . ?
Mo4 O14 1.683(2) . ?
Zn1 O5 2.1053(19) 3_666 ?
Zn1 O5 2.1052(19) . ?
Zn1 O11 2.125(2) . ?
Zn1 O11 2.125(2) 3_666 ?
Zn1 N2 2.113(3) . ?
Zn1 N2 2.113(3) 3_666 ?
O5 C3 1.237(3) . ?
N1 H1 0.8600 . ?
N1 C4 1.371(4) . ?
N1 C8 1.319(4) . ?
N2 C2 1.334(4) . ?
N2 N4 1.316(4) . ?
N3 H3 0.8600 . ?
N3 C3 1.328(3) . ?
N3 C7 1.423(4) . ?
C1 C4 1.416(4) . ?
C1 C5 1.411(4) . ?
C1 C7 1.414(4) . ?
C2 C3 1.481(4) . ?
C2 C12 1.392(4) . ?
N4 C13 1.360(5) . ?
C4 C9 1.403(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.363(5) . ?
C6 H6 0.9300 . ?
C6 C8 1.390(5) . ?
C7 C11 1.358(4) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.358(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.409(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C12 C13 1.372(5) . ?
C13 H13 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
Zn1 O5 C3 N3 -173.8(2) . . . . ?
Zn1 O5 C3 C2 4.1(3) . . . . ?
Zn1 N2 C2 C3 15.6(3) . . . . ?
Zn1 N2 C2 C12 -165.1(2) . . . . ?
Zn1 N2 N4 C13 159.1(3) . . . . ?
O1 Mo1 O7 Mo4 -75.69(11) . . . 3_676 ?
O1 Mo3 O4 Mo4 53.1(2) . . . . ?
O2 Mo4 O11 Zn1 -149.9(5) . . . . ?
O3 Mo1 O7 Mo4 76.52(11) . . . 3_676 ?
O3 Mo3 O4 Mo4 93.52(11) 3_676 . . . ?
O4 Mo4 O11 Zn1 62.7(5) . . . . ?
O6 Mo1 O7 Mo4 0.98(9) 3_676 . . 3_676 ?
O6 Mo1 O7 Mo4 1.2(2) . . . 3_676 ?
O6 Mo3 O4 Mo4 20.53(10) . . . . ?
O6 Mo4 O11 Zn1 136.0(5) . . . . ?
O7 Mo4 O11 Zn1 134.5(4) 3_676 . . . ?
O8 Mo3 O4 Mo4 179.93(11) . . . . ?
O9 Mo3 O4 Mo4 -72.14(13) . . . . ?
O13 Mo1 O7 Mo4 -178.85(10) . . . 3_676 ?
O14 Mo4 O11 Zn1 -42.1(5) . . . . ?
N1 C4 C9 C10 179.9(3) . . . . ?
N2 C2 C3 O5 -13.9(4) . . . . ?
N2 C2 C3 N3 164.2(3) . . . . ?
N2 C2 C12 C13 -1.3(4) . . . . ?
N2 N4 C13 C12 0.8(5) . . . . ?
N3 C7 C11 C10 -172.4(3) . . . . ?
C1 C4 C9 C10 0.8(5) . . . . ?
C1 C5 C6 C8 -0.7(5) . . . . ?
C1 C7 C11 C10 1.6(5) . . . . ?
C2 N2 N4 C13 -1.6(4) . . . . ?
C2 C12 C13 N4 0.3(4) . . . . ?
N4 N2 C2 C3 -177.5(2) . . . . ?
N4 N2 C2 C12 1.8(4) . . . . ?
C3 N3 C7 C1 108.4(3) . . . . ?
C3 N3 C7 C11 -77.5(4) . . . . ?
C3 C2 C12 C13 177.9(3) . . . . ?
C4 N1 C8 C6 -0.5(5) . . . . ?
C4 C1 C5 C6 -0.6(5) . . . . ?
C4 C1 C7 N3 171.4(3) . . . . ?
C4 C1 C7 C11 -2.6(4) . . . . ?
C4 C9 C10 C11 -2.0(5) . . . . ?
C5 C1 C4 N1 1.3(4) . . . . ?
C5 C1 C4 C9 -179.6(3) . . . . ?
C5 C1 C7 N3 -7.4(4) . . . . ?
C5 C1 C7 C11 178.5(3) . . . . ?
C5 C6 C8 N1 1.3(5) . . . . ?
C7 N3 C3 O5 -7.2(5) . . . . ?
C7 N3 C3 C2 174.8(3) . . . . ?
C7 C1 C4 N1 -177.6(3) . . . . ?
C7 C1 C4 C9 1.5(4) . . . . ?
C7 C1 C5 C6 178.3(3) . . . . ?
C8 N1 C4 C1 -0.8(4) . . . . ?
C8 N1 C4 C9 -179.9(3) . . . . ?
C9 C10 C11 C7 0.8(5) . . . . ?
C12 C2 C3 O5 166.9(3) . . . . ?
C12 C2 C3 N3 -15.0(5) . . . . ?
