#------------------------------------------------------------------------------
#$Date: 2019-11-09 17:39:22 +0200 (Sat, 09 Nov 2019) $
#$Revision: 225431 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/52/4515264.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_4515264
loop_
_publ_author_name
'Cheng, Weiwei'
'Shen, Feng-Cui'
'Xue, Yun-shan'
'Luo, Ximing'
'Fang, Min'
'Lan, Ya-Qian'
'Xu, Yan'
_publ_section_title
;
 A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based
 Metal--Organic Framework Enantiomers Featuring Superior Performance as
 the Anode of Lithium-Ion Battery
;
_journal_issue                   9
_journal_name_full               'ACS Applied Energy Materials'
_journal_page_first              4931
_journal_paper_doi               10.1021/acsaem.8b00938
_journal_volume                  1
_journal_year                    2018
_chemical_absolute_configuration D
_chemical_formula_sum            'C36 H43 Mo12 N6 O41 P Zn4'
_chemical_formula_weight         2659.49
_space_group_crystal_system      trigonal
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   22.777(8)
_cell_length_b                   22.777(8)
_cell_length_c                   13.338(5)
_cell_measurement_reflns_used    9871
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.45
_cell_measurement_theta_min      2.35
_cell_volume                     5993(4)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            42416
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.021
_diffrn_reflns_theta_max         25.021
_diffrn_reflns_theta_min         1.032
_exptl_absorpt_coefficient_mu    3.091
_exptl_absorpt_correction_T_max  0.708
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    2.211
_exptl_crystal_description       Block
_exptl_crystal_F_000             3804
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.401
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.173
_refine_ls_abs_structure_details
;
 Flack x determined using 2720 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.06(1)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         7070
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0935P)²+10.6558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1463
_reflns_Friedel_coverage         0.849
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                6369
_reflns_number_total             7070
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ae8b00938_si_003.cif
_cod_data_source_block           a01
_cod_original_cell_volume        5993(5)
_cod_database_code               4515264
_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   0.671
_shelx_estimated_absorpt_t_max   0.708
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
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
Mo1 Mo 1.13465(7) 0.36406(7) -0.01359(10) 0.0468(3) Uani 1 1 d . . .
Mo2 Mo 1.06574(7) 0.52317(7) 0.19381(9) 0.0454(3) Uani 1 1 d . . .
Mo3 Mo 0.97043(7) 0.27367(7) -0.10486(9) 0.0468(3) Uani 1 1 d . . .
Mo4 Mo 1.17630(7) 0.46867(7) 0.10954(10) 0.0475(3) Uani 1 1 d . . .
Mo5 Mo 1.02116(7) 0.19808(7) 0.07216(10) 0.0474(3) Uani 1 1 d . . .
Mo6 Mo 0.86812(7) 0.32242(7) -0.02515(10) 0.0510(4) Uani 1 1 d . . .
Zn1 Zn 1.03768(10) 0.44565(9) -0.04895(12) 0.0489(4) Uani 1 1 d . . .
Zn2 Zn 0.85722(10) 0.17970(10) 0.08408(14) 0.0541(5) Uani 1 1 d . . .
P1 P 1.0000 0.3363(2) 0.1667 0.0384(11) Uani 1 2 d S T P
O1 O 0.9299(6) 0.1651(5) 0.1327(8) 0.050(2) Uani 1 1 d . . .
O2 O 0.8848(5) 0.2416(6) -0.0269(8) 0.052(3) Uani 1 1 d . . .
O3 O 1.1183(5) 0.4408(5) -0.0091(7) 0.046(2) Uani 1 1 d . . .
O4 O 1.0204(5) 0.3059(5) 0.0763(7) 0.042(2) Uani 1 1 d . . .
O5 O 1.1654(5) 0.3773(6) 0.1266(8) 0.050(2) Uani 1 1 d . . .
O6 O 1.0193(5) 0.4873(5) 0.0645(7) 0.045(2) Uani 1 1 d . . .
O7 O 0.9620(5) 0.3567(5) -0.0840(7) 0.048(2) Uani 1 1 d . . .
O8 O 0.9397(5) 0.3456(5) 0.1382(7) 0.043(2) Uani 1 1 d . . .
O9 O 1.0800(7) 0.6036(6) 0.1988(9) 0.064(3) Uani 1 1 d . . .
O10 O 1.1476(6) 0.5361(6) 0.1311(7) 0.051(3) Uani 1 1 d . . .
O11 O 0.9748(6) 0.2004(5) -0.0567(8) 0.055(3) Uani 1 1 d . . .
O12 O 0.8057(6) 0.2789(6) 0.0720(8) 0.055(3) Uani 1 1 d . . .
O13 O 1.1071(6) 0.2654(5) 0.0049(8) 0.053(3) Uani 1 1 d . . .
O14 O 1.2036(7) 0.3894(6) -0.0824(9) 0.066(3) Uani 1 1 d . . .
O15 O 1.0618(6) 0.3294(6) -0.1220(7) 0.054(3) Uani 1 1 d . . .
O16 O 1.0268(7) 0.1286(6) 0.0521(9) 0.063(3) Uani 1 1 d . . .
O17 O 0.9419(7) 0.2534(7) -0.2249(8) 0.071(4) Uani 1 1 d . . .
O18 O 1.2542(6) 0.5184(7) 0.0676(10) 0.068(3) Uani 1 1 d . . .
O19 O 0.8932(6) 0.4100(6) 0.0085(7) 0.051(3) Uani 1 1 d . . .
O20 O 0.8205(7) 0.3050(8) -0.1316(9) 0.076(4) Uani 1 1 d . . .
C1 C 0.7226(11) 0.0733(12) -0.0011(14) 0.080(6) Uani 1 1 d . . .
H1A H 0.7298 0.1043 -0.0516 0.096 Uiso 1 1 calc R U .
C2 C 0.6633(9) 0.0147(10) 0.0014(12) 0.061(5) Uani 1 1 d . . .
H2A H 0.6328 0.0043 -0.0511 0.073 Uiso 1 1 calc R U .
C3 C 0.6465(9) -0.0302(8) 0.0796(12) 0.052(4) Uani 1 1 d . . .
C4 C 0.6959(9) -0.0146(9) 0.1499(15) 0.070(5) Uani 1 1 d . . .
H4A H 0.6886 -0.0444 0.2024 0.084 Uiso 1 1 calc R U .
C5 C 0.7573(10) 0.0462(10) 0.1428(15) 0.072(5) Uani 1 1 d . . .
H5A H 0.7893 0.0572 0.1934 0.086 Uiso 1 1 calc R U .
C6 C 0.3987(11) -0.0737(12) 0.4087(13) 0.073(6) Uani 1 1 d . . .
H6A H 0.3673 -0.0589 0.4084 0.088 Uiso 1 1 calc R U .
C7 C 0.4122(11) -0.0991(11) 0.3178(14) 0.073(5) Uani 1 1 d . U .
H7A H 0.3895 -0.1001 0.2594 0.088 Uiso 1 1 calc R U .
C8 C 0.4573(8) -0.1217(9) 0.3152(13) 0.052(4) Uani 1 1 d . . .
C9 C 0.4871(11) -0.1204(10) 0.4068(14) 0.065(5) Uani 1 1 d . . .
H9A H 0.5169 -0.1371 0.4105 0.077 Uiso 1 1 calc R U .
C10 C 0.4733(10) -0.0947(10) 0.4942(13) 0.063(5) Uani 1 1 d . . .
H10A H 0.4946 -0.0942 0.5540 0.076 Uiso 1 1 calc R U .
C11 C 0.5771(8) -0.0923(10) 0.0928(11) 0.056(4) Uani 1 1 d . . .
H11A H 0.5810 -0.1323 0.1039 0.068 Uiso 1 1 calc R U .
H11B H 0.5495 -0.0996 0.0337 0.068 Uiso 1 1 calc R U .
C12 C 0.5446(11) -0.0782(10) 0.1858(16) 0.073(6) Uani 1 1 d . . .
H12A H 0.5772 -0.0621 0.2403 0.088 Uiso 1 1 calc R U .
H12B H 0.5352 -0.0423 0.1693 0.088 Uiso 1 1 calc R U .
C13 C 0.4791(8) -0.1399(9) 0.2221(12) 0.056(4) Uani 1 1 d . . .
H13A H 0.4442 -0.1536 0.1714 0.067 Uiso 1 1 calc R U .
H13B H 0.4868 -0.1775 0.2345 0.067 Uiso 1 1 calc R U .
N1 N 0.7720(7) 0.0889(7) 0.0666(11) 0.057(3) Uani 1 1 d . . .
N2 N 0.4308(7) -0.0714(7) 0.4926(10) 0.051(3) Uani 1 1 d . . .
C14 C 0.1349(14) -0.1046(18) 0.4071(14) 0.115(7) Uani 1 1 d D U .
H14A H 0.1813 -0.0889 0.4053 0.138 Uiso 1 1 calc R U .
C15 C 0.1030(14) -0.1213(19) 0.317(2) 0.131(7) Uani 1 1 d D U .
H15A H 0.1259 -0.1208 0.2590 0.157 Uiso 1 1 calc R U .
C16 C 0.0364(15) -0.1389(19) 0.315(2) 0.133(7) Uani 1 1 d D U .
H16A H 0.0074 -0.1590 0.2605 0.160 Uiso 1 1 calc R U .
C17 C 0.0188(16) -0.1223(18) 0.4048(16) 0.119(7) Uani 1 1 d D U .
H17A H -0.0195 -0.1177 0.4025 0.143 Uiso 1 1 calc R U .
C18 C 0.0484(10) -0.1116(14) 0.4965(16) 0.092(6) Uani 1 1 d D U .
H18A H 0.0279 -0.1075 0.5543 0.110 Uiso 1 1 calc R U .
N3 N 0.1089(8) -0.1075(10) 0.4981(12) 0.072(4) Uani 1 1 d D U .
O1W O 0.022(2) -0.092(2) 0.148(4) 0.141(18) Uani 0.5 1 d . U P
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'
P P 0.1023 0.0942 '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'
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
O14 Mo1 O3 106.0(5) . .
O14 Mo1 O5 105.7(6) . .
O3 Mo1 O5 92.6(4) . .
O14 Mo1 O13 99.7(5) . .
O3 Mo1 O13 153.4(4) . .
O5 Mo1 O13 86.7(5) . .
O14 Mo1 O15 100.8(6) . .
O3 Mo1 O15 83.5(4) . .
O5 Mo1 O15 153.2(4) . .
O13 Mo1 O15 85.2(5) . .
O14 Mo1 Mo4 100.3(4) . .
O3 Mo1 Mo4 47.3(3) . .
O5 Mo1 Mo4 48.2(3) . .
O13 Mo1 Mo4 134.1(3) . .
O15 Mo1 Mo4 130.1(3) . .
O9 Mo2 O10 101.8(6) . .
O9 Mo2 O6 104.8(5) . .
O10 Mo2 O6 87.8(4) . .
O9 Mo2 O6 105.3(5) . 6_765
O10 Mo2 O6 152.1(4) . 6_765
O6 Mo2 O6 91.6(4) . 6_765
O9 Mo2 O19 101.4(5) . 6_765
O10 Mo2 O19 86.5(5) . 6_765
O6 Mo2 O19 153.8(4) . 6_765
O6 Mo2 O19 81.8(4) 6_765 6_765
O9 Mo2 Mo2 99.8(5) . 6_765
O10 Mo2 Mo2 133.6(3) . 6_765
O6 Mo2 Mo2 47.0(3) . 6_765
O6 Mo2 Mo2 47.0(3) 6_765 6_765
O19 Mo2 Mo2 128.2(3) 6_765 6_765
O17 Mo3 O15 102.6(6) . .
O17 Mo3 O11 105.6(6) . .
O15 Mo3 O11 96.5(5) . .
O17 Mo3 O2 102.7(6) . .
O15 Mo3 O2 151.8(4) . .
O11 Mo3 O2 88.4(5) . .
O17 Mo3 O7 100.5(6) . .
O15 Mo3 O7 88.6(5) . .
O11 Mo3 O7 151.5(4) . .
O2 Mo3 O7 74.7(4) . .
O18 Mo4 O3 105.6(6) . .
O18 Mo4 O10 100.1(6) . .
O3 Mo4 O10 86.4(4) . .
O18 Mo4 O5 106.7(6) . .
O3 Mo4 O5 92.4(4) . .
O10 Mo4 O5 152.5(4) . .
O18 Mo4 O12 100.3(6) . 6_765
O3 Mo4 O12 154.0(4) . 6_765
O10 Mo4 O12 87.3(5) . 6_765
O5 Mo4 O12 81.8(5) . 6_765
O18 Mo4 Mo1 100.7(5) . .
O3 Mo4 Mo1 47.6(3) . .
O10 Mo4 Mo1 133.1(3) . .
O5 Mo4 Mo1 47.6(3) . .
O12 Mo4 Mo1 128.9(3) 6_765 .
O16 Mo5 O1 104.4(6) . 6_765
O16 Mo5 O1 105.5(5) . .
O1 Mo5 O1 93.9(5) 6_765 .
O16 Mo5 O13 98.3(5) . .
O1 Mo5 O13 86.3(5) 6_765 .
O1 Mo5 O13 155.3(4) . .
O16 Mo5 O11 100.1(5) . .
O1 Mo5 O11 155.0(4) 6_765 .
O1 Mo5 O11 84.0(4) . .
O13 Mo5 O11 85.5(5) . .
O16 Mo5 O4 171.3(5) . .
O1 Mo5 O4 80.7(4) 6_765 .
O1 Mo5 O4 80.8(4) . .
O13 Mo5 O4 74.8(4) . .
O11 Mo5 O4 74.3(4) . .
O16 Mo5 Mo5 100.0(4) . 6_765
O1 Mo5 Mo5 48.3(3) 6_765 6_765
O1 Mo5 Mo5 48.1(3) . 6_765
O13 Mo5 Mo5 133.9(3) . 6_765
O11 Mo5 Mo5 131.4(3) . 6_765
O4 Mo5 Mo5 88.7(2) . 6_765
O20 Mo6 O12 103.5(6) . .
O20 Mo6 O19 105.8(6) . .
O12 Mo6 O19 98.8(5) . .
O20 Mo6 O7 101.1(6) . .
O12 Mo6 O7 151.0(5) . .
O19 Mo6 O7 88.9(4) . .
O20 Mo6 O2 99.3(6) . .
O12 Mo6 O2 87.9(5) . .
O19 Mo6 O2 151.5(4) . .
O7 Mo6 O2 73.1(4) . .
O6 Zn1 O7 113.6(4) . .
O6 Zn1 O3 104.6(4) . .
O7 Zn1 O3 111.8(5) . .
O6 Zn1 N2 116.1(5) . 2_654
O7 Zn1 N2 108.8(5) . 2_654
O3 Zn1 N2 101.1(5) . 2_654
O2 Zn2 O1 112.7(5) . .
O2 Zn2 O5 114.7(5) . 6_765
O1 Zn2 O5 100.9(5) . 6_765
O2 Zn2 N1 117.2(5) . .
O1 Zn2 N1 109.0(6) . .
O5 Zn2 N1 100.4(6) 6_765 .
O8 P1 O8 108.4(8) . 6_765
O8 P1 O4 109.6(5) . 6_765
O8 P1 O4 110.6(5) 6_765 6_765
O8 P1 O4 110.6(5) . .
O8 P1 O4 109.6(5) 6_765 .
O4 P1 O4 107.9(7) 6_765 .
Zn2 O1 Mo5 136.7(6) . 6_765
Zn2 O1 Mo5 127.9(5) . .
Mo5 O1 Mo5 83.6(4) 6_765 .
Zn2 O2 Mo3 124.8(6) . .
Zn2 O2 Mo6 120.6(6) . .
Mo3 O2 Mo6 105.2(5) . .
Mo4 O3 Mo1 85.2(4) . .
Mo4 O3 Zn1 134.4(5) . .
Mo1 O3 Zn1 129.8(6) . .
P1 O4 Mo5 127.4(5) . .
Zn2 O5 Mo1 137.3(6) 6_765 .
Zn2 O5 Mo4 128.2(5) 6_765 .
Mo1 O5 Mo4 84.2(4) . .
Zn1 O6 Mo2 133.0(6) . .
Zn1 O6 Mo2 129.9(6) . 6_765
Mo2 O6 Mo2 86.0(4) . 6_765
Zn1 O7 Mo3 124.0(6) . .
Zn1 O7 Mo6 121.3(5) . .
Mo3 O7 Mo6 105.6(4) . .
Mo2 O10 Mo4 128.2(6) . .
Mo3 O11 Mo5 125.8(5) . .
Mo6 O12 Mo4 125.4(6) . 6_765
Mo5 O13 Mo1 123.2(5) . .
Mo3 O15 Mo1 127.0(5) . .
Mo6 O19 Mo2 127.0(6) . 6_765
C2 C1 N1 122.7(19) . .
C2 C1 H1A 118.7 . .
N1 C1 H1A 118.7 . .
C1 C2 C3 121.7(17) . .
C1 C2 H2A 119.2 . .
C3 C2 H2A 119.2 . .
C4 C3 C2 116.1(15) . .
C4 C3 C11 120.1(16) . .
C2 C3 C11 123.7(15) . .
C3 C4 C5 119.9(17) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
N1 C5 C4 122.7(18) . .
N1 C5 H5A 118.7 . .
C4 C5 H5A 118.7 . .
N2 C6 C7 120.1(17) . .
N2 C6 H6A 119.9 . .
C7 C6 H6A 119.9 . .
C8 C7 C6 121.8(17) . .
C8 C7 H7A 119.1 . .
C6 C7 H7A 119.1 . .
C7 C8 C9 115.0(15) . .
C7 C8 C13 123.6(17) . .
C9 C8 C13 121.1(15) . .
C8 C9 C10 121.8(15) . .
C8 C9 H9A 119.1 . .
C10 C9 H9A 119.1 . .
N2 C10 C9 121.1(16) . .
N2 C10 H10A 119.5 . .
C9 C10 H10A 119.5 . .
C3 C11 C12 106.4(15) . .
C3 C11 H11A 110.5 . .
C12 C11 H11A 110.5 . .
C3 C11 H11B 110.5 . .
C12 C11 H11B 110.5 . .
H11A C11 H11B 108.6 . .
C13 C12 C11 114.1(16) . .
C13 C12 H12A 108.7 . .
C11 C12 H12A 108.7 . .
C13 C12 H12B 108.7 . .
C11 C12 H12B 108.7 . .
H12A C12 H12B 107.6 . .
C8 C13 C12 108.7(15) . .
C8 C13 H13A 110.0 . .
C12 C13 H13A 110.0 . .
C8 C13 H13B 110.0 . .
C12 C13 H13B 110.0 . .
H13A C13 H13B 108.3 . .
C5 N1 C1 116.6(17) . .
C5 N1 Zn2 115.0(12) . .
C1 N1 Zn2 126.6(14) . .
C10 N2 C6 120.1(15) . .
C10 N2 Zn1 121.5(11) . 3_665
C6 N2 Zn1 118.2(11) . 3_665
N3 C14 C15 129(3) . .
N3 C14 H14A 115.6 . .
C15 C14 H14A 115.6 . .
C14 C15 C16 118(3) . .
C14 C15 H15A 121.1 . .
C16 C15 H15A 121.1 . .
C15 C16 C17 109(3) . .
C15 C16 H16A 125.3 . .
C17 C16 H16A 125.3 . .
C18 C17 C16 130(3) . .
C18 C17 H17A 114.8 . .
C16 C17 H17A 114.8 . .
N3 C18 C17 115(2) . .
N3 C18 H18A 122.3 . .
C17 C18 H18A 122.3 . .
C18 N3 C14 114(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O14 1.654(11) .
Mo1 O3 1.962(11) .
Mo1 O5 1.966(11) .
Mo1 O13 2.023(11) .
Mo1 O15 2.039(12) .
Mo1 Mo4 2.648(2) .
Mo2 O9 1.695(12) .
Mo2 O10 1.927(11) .
Mo2 O6 1.974(10) .
Mo2 O6 1.975(10) 6_765
Mo2 O19 2.022(11) 6_765
Mo2 Mo2 2.693(3) 6_765
Mo3 O17 1.703(11) .
Mo3 O15 1.832(12) .
Mo3 O11 1.836(12) .
Mo3 O2 1.999(11) .
Mo3 O7 2.013(11) .
Mo4 O18 1.653(12) .
Mo4 O3 1.952(11) .
Mo4 O10 1.967(11) .
Mo4 O5 1.983(11) .
Mo4 O12 2.058(11) 6_765
Mo5 O16 1.672(12) .
Mo5 O1 1.989(11) 6_765
Mo5 O1 1.994(11) .
Mo5 O13 1.998(11) .
Mo5 O11 2.032(12) .
Mo5 O4 2.465(10) .
Mo5 Mo5 2.656(3) 6_765
Mo6 O20 1.708(12) .
Mo6 O12 1.809(11) .
Mo6 O19 1.835(11) .
Mo6 O7 2.031(10) .
Mo6 O2 2.057(12) .
Zn1 O6 1.939(10) .
Zn1 O7 1.951(10) .
Zn1 O3 1.967(11) .
Zn1 N2 2.012(14) 2_654
Zn2 O2 1.920(11) .
Zn2 O1 1.954(11) .
Zn2 O5 1.964(11) 6_765
Zn2 N1 2.021(14) .
P1 O8 1.539(11) .
P1 O8 1.539(11) 6_765
P1 O4 1.571(9) 6_765
P1 O4 1.571(9) .
O1 Mo5 1.988(11) 6_765
O5 Zn2 1.964(11) 6_765
O6 Mo2 1.975(10) 6_765
O12 Mo4 2.058(11) 6_765
O19 Mo2 2.022(11) 6_765
C1 C2 1.34(3) .
C1 N1 1.35(2) .
C1 H1A 0.9300 .
C2 C3 1.38(2) .
C2 H2A 0.9300 .
C3 C4 1.37(2) .
C3 C11 1.52(2) .
C4 C5 1.39(3) .
C4 H4A 0.9300 .
C5 N1 1.33(2) .
C5 H5A 0.9300 .
C6 N2 1.32(2) .
C6 C7 1.44(2) .
C6 H6A 0.9300 .
C7 C8 1.36(3) .
C7 H7A 0.9300 .
C8 C9 1.39(3) .
C8 C13 1.47(2) .
C9 C10 1.41(2) .
C9 H9A 0.9300 .
C10 N2 1.32(2) .
C10 H10A 0.9300 .
C11 C12 1.56(2) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.53(3) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
N2 Zn1 2.012(14) 3_665
C14 N3 1.338(13) .
C14 C15 1.355(14) .
C14 H14A 0.9300 .
C15 C16 1.362(14) .
C15 H15A 0.9300 .
C16 C17 1.380(14) .
C16 H16A 0.9300 .
C17 C18 1.359(13) .
C17 H17A 0.9300 .
C18 N3 1.333(13) .
C18 H18A 0.9300 .
O1W O1W 1.01(9) 6
