#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:48:34 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177811 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/76/7037699.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_7037699
loop_
_publ_author_name
'Wang, Xiuli'
'Sun, Junjun'
'Lin, Hongyan'
'Chang, Zhihan'
'Tian, Aixiang'
'Liu, Guocheng'
'Wang, Xiang'
_publ_section_title
;
 Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by
 different species and their coordination modes: assembly, various
 architectures and properties.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2709
_journal_page_last               2719
_journal_paper_doi               10.1039/c5dt04074d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C32 H76 Mo6 N8 O48 Te Zn3'
_chemical_formula_weight         2240.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-11-23 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                115.760(6)
_cell_angle_beta                 95.354(6)
_cell_angle_gamma                97.464(7)
_cell_formula_units_Z            1
_cell_length_a                   9.854(3)
_cell_length_b                   13.767(4)
_cell_length_c                   13.925(4)
_cell_measurement_reflns_used    2245
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.7078
_cell_measurement_theta_min      2.4342
_cell_volume                     1663.0(9)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12313
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         28.327
_diffrn_reflns_theta_min         1.647
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.698
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    2.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1098
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.119
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         8302
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0428
_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)+(0.0356P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0954
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5341
_reflns_number_total             8302
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04074d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7037699--7037702.cif.'
_cod_database_code               7037699
_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   0.552
_shelx_estimated_absorpt_t_max   0.688
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Te1 Te 1.0000 0.5000 0.5000 0.01263(11) Uani 1 2 d S . P
Mo1 Mo 0.76373(4) 0.28448(3) 0.44119(4) 0.01551(11) Uani 1 1 d . . .
Zn1 Zn 0.36625(6) 0.25912(5) 0.41133(5) 0.02087(15) Uani 1 1 d . . .
O1 O 0.5883(3) 0.2819(3) 0.4342(3) 0.0221(8) Uani 1 1 d . . .
O1W O 0.1536(4) 0.2251(3) 0.3673(3) 0.0364(11) Uani 1 1 d . . .
H1WA H 0.0785 0.2452 0.3868 0.044 Uiso 1 1 d R U .
H1WB H 0.1379 0.1553 0.3352 0.044 Uiso 1 1 d R U .
N1 N 0.3590(4) 0.0975(4) 0.3996(4) 0.0222(10) Uani 1 1 d . . .
C1 C 0.2535(6) 0.0539(5) 0.4316(5) 0.0276(13) Uani 1 1 d . . .
H1A H 0.1866 0.0953 0.4596 0.033 Uiso 1 1 calc R U .
Mo2 Mo 1.00022(5) 0.37913(4) 0.65810(4) 0.02052(12) Uani 1 1 d . . .
Zn2 Zn 1.5000 -0.5000 0.0000 0.0273(2) Uani 1 2 d S . P
O2 O 0.8009(3) 0.4610(3) 0.4636(3) 0.0154(7) Uani 1 1 d . . .
O2W O 0.3801(4) 0.4205(3) 0.4347(3) 0.0254(9) Uani 1 1 d . . .
H2WA H 0.3219 0.4611 0.4613 0.031 Uiso 1 1 d R U .
H2WB H 0.4339 0.4659 0.4227 0.031 Uiso 1 1 d R U .
N2 N 1.5246(5) -0.3409(4) 0.0084(4) 0.0240(10) Uani 1 1 d . . .
C2 C 0.2406(6) -0.0503(5) 0.4243(5) 0.0337(15) Uani 1 1 d . . .
H2A H 0.1653 -0.0794 0.4455 0.040 Uiso 1 1 calc R U .
Mo3 Mo 1.23363(4) 0.60018(4) 0.72100(4) 0.01817(11) Uani 1 1 d . . .
O3 O 0.7894(4) 0.2756(3) 0.3031(3) 0.0202(8) Uani 1 1 d . . .
O3W O 0.3802(4) 0.2114(3) 0.2492(3) 0.0297(9) Uani 1 1 d . . .
H3WA H 0.4382 0.2538 0.2364 0.036 Uiso 1 1 d R U .
H3WB H 0.3692 0.1473 0.1969 0.036 Uiso 1 1 d R U .
N3 N 1.2153(5) -0.1471(4) 0.0969(4) 0.0404(14) Uani 1 1 d . . .
H3B H 1.1987 -0.2165 0.0772 0.048 Uiso 1 1 d R U .
C3 C 0.3418(6) -0.1100(5) 0.3849(5) 0.0319(14) Uani 1 1 d . . .
H3A H 0.3352 -0.1805 0.3788 0.038 Uiso 1 1 calc R U .
O4 O 1.1953(4) 0.4434(3) 0.6805(3) 0.0222(8) Uani 1 1 d . . .
O4W O 0.3682(4) 0.3205(3) 0.5762(3) 0.0370(11) Uani 1 1 d . . .
H4WA H 0.3118 0.3611 0.6071 0.044 Uiso 1 1 d R U .
H4WB H 0.3740 0.2762 0.6032 0.044 Uiso 1 1 d R U .
N4 N 0.6811(5) -0.0808(4) 0.3026(4) 0.0283(11) Uani 1 1 d . . .
H4A H 0.6909 -0.0125 0.3176 0.034 Uiso 1 1 d R U .
C4 C 0.4540(6) -0.0648(4) 0.3543(4) 0.0237(12) Uani 1 1 d . . .
O5 O 0.9927(3) 0.3528(3) 0.4836(3) 0.0152(7) Uani 1 1 d . . .
O5W O 1.4352(5) -0.4353(3) 0.1479(3) 0.0496(13) Uani 1 1 d . . .
H5WA H 1.4614 -0.4735 0.1777 0.060 Uiso 1 1 d R U .
H5WB H 1.4243 -0.3746 0.1976 0.060 Uiso 1 1 d R U .
C5 C 0.4567(5) 0.0391(4) 0.3613(4) 0.0220(12) Uani 1 1 d . . .
H5A H 0.5292 0.0692 0.3383 0.026 Uiso 1 1 calc R U .
O6 O 0.7841(4) 0.1540(3) 0.4102(3) 0.0252(9) Uani 1 1 d . . .
O6W O 1.2850(4) -0.5392(3) -0.0794(4) 0.0434(12) Uani 1 1 d . . .
H6WA H 1.2566 -0.5503 -0.1435 0.052 Uiso 1 1 d R U .
H6WB H 1.2212 -0.5178 -0.0426 0.052 Uiso 1 1 d R U .
C6 C 0.5659(6) -0.1285(4) 0.3147(4) 0.0248(13) Uani 1 1 d . . .
O7 O 0.8062(3) 0.3520(3) 0.5964(3) 0.0215(8) Uani 1 1 d . . .
C7 C 0.7935(6) -0.1381(5) 0.2647(5) 0.0337(15) Uani 1 1 d . . .
H7A H 0.7554 -0.2093 0.2040 0.040 Uiso 1 1 calc R U .
H7B H 0.8397 -0.1502 0.3220 0.040 Uiso 1 1 calc R U .
O7W O 1.1140(4) -0.3937(3) 0.0388(3) 0.0418(11) Uani 1 1 d . . .
H7WA H 1.0412 -0.3825 0.0106 0.050 Uiso 1 1 d R U .
H7WB H 1.1024 -0.3867 0.1011 0.050 Uiso 1 1 d R U .
O8 O 1.1977(4) 0.6492(3) 0.8493(3) 0.0329(10) Uani 1 1 d . . .
C8 C 0.8989(6) -0.0751(5) 0.2299(5) 0.0342(15) Uani 1 1 d . . .
H8A H 0.9483 -0.0092 0.2928 0.041 Uiso 1 1 calc R U .
H8B H 0.8514 -0.0529 0.1808 0.041 Uiso 1 1 calc R U .
O8W O 1.3181(6) -0.5157(4) 0.2683(4) 0.0659(16) Uani 1 1 d . . .
H8WA H 1.3078 -0.4577 0.3219 0.079 Uiso 1 1 d R U .
H8WB H 1.2932 -0.5718 0.2780 0.079 Uiso 1 1 d R U .
O9 O 1.0052(3) 0.5398(3) 0.6506(3) 0.0165(7) Uani 1 1 d . . .
C9 C 1.0020(6) -0.1446(5) 0.1744(5) 0.0368(15) Uani 1 1 d . . .
H9A H 1.0499 -0.1661 0.2240 0.044 Uiso 1 1 calc R U .
H9B H 0.9521 -0.2110 0.1123 0.044 Uiso 1 1 calc R U .
O9W O -0.0180(8) 0.1606(5) 0.1737(5) 0.100(2) Uani 1 1 d . . .
O10 O 1.0231(4) 0.2478(3) 0.6159(4) 0.0363(11) Uani 1 1 d . . .
C10 C 1.1061(7) -0.0850(5) 0.1380(6) 0.0433(17) Uani 1 1 d . . .
H10A H 1.0595 -0.0718 0.0815 0.052 Uiso 1 1 calc R U .
H10B H 1.1477 -0.0143 0.1982 0.052 Uiso 1 1 calc R U .
O10W O 1.9220(6) -0.3324(6) -0.1154(5) 0.111(3) Uani 1 1 d . . .
H0WA H 1.9469 -0.3897 -0.1602 0.134 Uiso 1 1 d R U .
H0WB H 1.9759 -0.2769 -0.1117 0.134 Uiso 1 1 d R U .
O11 O 1.4099(4) 0.6141(3) 0.7321(3) 0.0309(10) Uani 1 1 d . . .
C11 C 1.3361(7) -0.1030(5) 0.0878(5) 0.0289(14) Uani 1 1 d . . .
O12 O 1.3675(5) -0.0051(3) 0.1132(4) 0.0509(14) Uani 1 1 d . . .
C12 C 1.4416(6) -0.1741(4) 0.0490(4) 0.0230(12) Uani 1 1 d . . .
O13 O 0.5446(5) -0.2273(3) 0.2950(3) 0.0368(11) Uani 1 1 d . . .
C13 C 1.5604(7) -0.1335(5) 0.0210(5) 0.0335(14) Uani 1 1 d . . .
H13A H 1.5731 -0.0635 0.0253 0.040 Uiso 1 1 calc R U .
O14 O 0.9768(4) 0.4273(4) 0.7900(3) 0.0384(11) Uani 1 1 d . . .
C14 C 1.6594(6) -0.1979(5) -0.0131(5) 0.0305(14) Uani 1 1 d . . .
H14A H 1.7391 -0.1726 -0.0328 0.037 Uiso 1 1 calc R U .
C15 C 1.6368(6) -0.2998(5) -0.0172(5) 0.0276(13) Uani 1 1 d . . .
H15A H 1.7040 -0.3428 -0.0393 0.033 Uiso 1 1 calc R U .
C16 C 1.4290(6) -0.2784(4) 0.0407(4) 0.0235(12) Uani 1 1 d . . .
H16A H 1.3497 -0.3068 0.0584 0.028 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'
Te Te -0.5308 1.6751 '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
O9 Te1 O9 180.0 2_766 .
O9 Te1 O2 94.93(14) 2_766 2_766
O9 Te1 O2 85.07(14) . 2_766
O9 Te1 O2 85.07(14) 2_766 .
O9 Te1 O2 94.93(14) . .
O2 Te1 O2 180.0 2_766 .
O9 Te1 O5 95.33(14) 2_766 .
O9 Te1 O5 84.67(14) . .
O2 Te1 O5 94.33(13) 2_766 .
O2 Te1 O5 85.67(13) . .
O9 Te1 O5 84.67(14) 2_766 2_766
O9 Te1 O5 95.33(14) . 2_766
O2 Te1 O5 85.67(13) 2_766 2_766
O2 Te1 O5 94.33(13) . 2_766
O5 Te1 O5 180.0 . 2_766
O6 Mo1 O1 105.82(17) . .
O6 Mo1 O3 95.53(16) . .
O1 Mo1 O3 100.75(16) . .
O6 Mo1 O7 100.71(17) . .
O1 Mo1 O7 95.79(16) . .
O3 Mo1 O7 152.69(14) . .
O6 Mo1 O5 94.08(15) . .
O1 Mo1 O5 159.21(15) . .
O3 Mo1 O5 82.88(13) . .
O7 Mo1 O5 74.24(13) . .
O6 Mo1 O2 162.02(15) . .
O1 Mo1 O2 90.57(14) . .
O3 Mo1 O2 73.75(13) . .
O7 Mo1 O2 84.56(13) . .
O5 Mo1 O2 70.63(11) . .
O1W Zn1 O4W 96.35(17) . .
O1W Zn1 O3W 87.78(16) . .
O4W Zn1 O3W 174.07(16) . .
O1W Zn1 O2W 92.44(15) . .
O4W Zn1 O2W 86.78(14) . .
O3W Zn1 O2W 88.80(15) . .
O1W Zn1 O1 172.18(15) . .
O4W Zn1 O1 91.33(15) . .
O3W Zn1 O1 84.68(14) . .
O2W Zn1 O1 89.48(14) . .
O1W Zn1 N1 89.75(16) . .
O4W Zn1 N1 89.33(16) . .
O3W Zn1 N1 94.96(16) . .
O2W Zn1 N1 175.72(16) . .
O1 Zn1 N1 88.83(15) . .
Mo1 O1 Zn1 173.3(2) . .
Zn1 O1W H1WA 144.4 . .
Zn1 O1W H1WB 101.0 . .
H1WA O1W H1WB 107.7 . .
C5 N1 C1 118.9(5) . .
C5 N1 Zn1 121.9(3) . .
C1 N1 Zn1 119.2(4) . .
N1 C1 C2 122.4(5) . .
N1 C1 H1A 118.8 . .
C2 C1 H1A 118.8 . .
O10 Mo2 O14 106.9(2) . .
O10 Mo2 O7 99.56(17) . .
O14 Mo2 O7 96.53(17) . .
O10 Mo2 O4 96.17(17) . .
O14 Mo2 O4 99.37(17) . .
O7 Mo2 O4 153.29(14) . .
O10 Mo2 O9 156.09(17) . .
O14 Mo2 O9 96.25(17) . .
O7 Mo2 O9 83.23(13) . .
O4 Mo2 O9 73.84(13) . .
O10 Mo2 O5 88.44(17) . .
O14 Mo2 O5 162.87(17) . .
O7 Mo2 O5 72.93(13) . .
O4 Mo2 O5 86.13(13) . .
O9 Mo2 O5 69.55(12) . .
O5W Zn2 O5W 180.0 . 2_845
O5W Zn2 N2 88.07(17) . .
O5W Zn2 N2 91.93(17) 2_845 .
O5W Zn2 N2 91.93(17) . 2_845
O5W Zn2 N2 88.07(17) 2_845 2_845
N2 Zn2 N2 180.0(2) . 2_845
O5W Zn2 O6W 90.61(18) . 2_845
O5W Zn2 O6W 89.39(18) 2_845 2_845
N2 Zn2 O6W 89.06(16) . 2_845
N2 Zn2 O6W 90.94(16) 2_845 2_845
O5W Zn2 O6W 89.39(18) . .
O5W Zn2 O6W 90.61(18) 2_845 .
N2 Zn2 O6W 90.94(16) . .
N2 Zn2 O6W 89.06(16) 2_845 .
O6W Zn2 O6W 180.0 2_845 .
Te1 O2 Mo1 101.23(13) . .
Te1 O2 Mo3 101.85(14) . 2_766
Mo1 O2 Mo3 91.10(12) . 2_766
Zn1 O2W H2WA 125.1 . .
Zn1 O2W H2WB 137.3 . .
H2WA O2W H2WB 97.6 . .
C15 N2 C16 117.8(5) . .
C15 N2 Zn2 120.8(4) . .
C16 N2 Zn2 121.4(4) . .
C3 C2 C1 118.4(5) . .
C3 C2 H2A 120.8 . .
C1 C2 H2A 120.8 . .
O8 Mo3 O11 106.62(19) . .
O8 Mo3 O3 98.25(17) . 2_766
O11 Mo3 O3 99.27(16) . 2_766
O8 Mo3 O4 98.87(17) . .
O11 Mo3 O4 96.41(16) . .
O3 Mo3 O4 152.37(15) 2_766 .
O8 Mo3 O9 91.20(16) . .
O11 Mo3 O9 160.89(16) . .
O3 Mo3 O9 84.58(13) 2_766 .
O4 Mo3 O9 73.55(13) . .
O8 Mo3 O2 159.07(16) . 2_766
O11 Mo3 O2 93.76(16) . 2_766
O3 Mo3 O2 73.23(13) 2_766 2_766
O4 Mo3 O2 83.20(13) . 2_766
O9 Mo3 O2 69.28(11) . 2_766
Mo1 O3 Mo3 117.52(17) . 2_766
Zn1 O3W H3WA 116.2 . .
Zn1 O3W H3WB 129.6 . .
H3WA O3W H3WB 107.7 . .
C11 N3 C10 123.7(5) . .
C11 N3 H3B 118.1 . .
C10 N3 H3B 118.1 . .
C2 C3 C4 119.9(5) . .
C2 C3 H3A 120.0 . .
C4 C3 H3A 120.0 . .
Mo2 O4 Mo3 115.07(17) . .
Zn1 O4W H4WA 121.2 . .
Zn1 O4W H4WB 117.1 . .
H4WA O4W H4WB 107.7 . .
C6 N4 C7 122.7(5) . .
C6 N4 H4A 118.6 . .
C7 N4 H4A 118.7 . .
C5 C4 C3 117.8(5) . .
C5 C4 C6 122.4(5) . .
C3 C4 C6 119.8(5) . .
Te1 O5 Mo1 102.47(13) . .
Te1 O5 Mo2 102.07(14) . .
Mo1 O5 Mo2 92.53(12) . .
Zn2 O5W H5WA 104.3 . .
Zn2 O5W H5WB 141.4 . .
H5WA O5W H5WB 107.7 . .
N1 C5 C4 122.5(5) . .
N1 C5 H5A 118.8 . .
C4 C5 H5A 118.8 . .
Zn2 O6W H6WA 126.9 . .
Zn2 O6W H6WB 120.6 . .
H6WA O6W H6WB 107.7 . .
O13 C6 N4 122.1(5) . .
O13 C6 C4 117.9(5) . .
N4 C6 C4 120.0(5) . .
Mo1 O7 Mo2 116.05(18) . .
N4 C7 C8 112.5(5) . .
N4 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
N4 C7 H7B 109.1 . .
C8 C7 H7B 109.1 . .
H7A C7 H7B 107.8 . .
H7WA O7W H7WB 107.7 . .
C7 C8 C9 111.0(5) . .
C7 C8 H8A 109.4 . .
C9 C8 H8A 109.4 . .
C7 C8 H8B 109.4 . .
C9 C8 H8B 109.4 . .
H8A C8 H8B 108.0 . .
H8WA O8W H8WB 110.5 . .
Te1 O9 Mo2 103.71(15) . .
Te1 O9 Mo3 103.68(14) . .
Mo2 O9 Mo3 93.47(12) . .
C10 C9 C8 112.2(5) . .
C10 C9 H9A 109.2 . .
C8 C9 H9A 109.2 . .
C10 C9 H9B 109.2 . .
C8 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
N3 C10 C9 111.9(5) . .
N3 C10 H10A 109.2 . .
C9 C10 H10A 109.2 . .
N3 C10 H10B 109.2 . .
C9 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
H0WA O10W H0WB 107.7 . .
O12 C11 N3 122.2(6) . .
O12 C11 C12 118.9(6) . .
N3 C11 C12 118.9(5) . .
C16 C12 C13 117.4(5) . .
C16 C12 C11 123.4(5) . .
C13 C12 C11 119.2(5) . .
C14 C13 C12 119.5(5) . .
C14 C13 H13A 120.2 . .
C12 C13 H13A 120.2 . .
C15 C14 C13 118.1(5) . .
C15 C14 H14A 120.9 . .
C13 C14 H14A 120.9 . .
N2 C15 C14 123.7(5) . .
N2 C15 H15A 118.1 . .
C14 C15 H15A 118.1 . .
N2 C16 C12 123.4(5) . .
N2 C16 H16A 118.3 . .
C12 C16 H16A 118.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Te1 O9 1.917(3) 2_766
Te1 O9 1.917(3) .
Te1 O2 1.923(3) 2_766
Te1 O2 1.923(3) .
Te1 O5 1.929(3) .
Te1 O5 1.929(3) 2_766
Mo1 O6 1.700(3) .
Mo1 O1 1.717(3) .
Mo1 O3 1.915(4) .
Mo1 O7 1.922(4) .
Mo1 O5 2.245(3) .
Mo1 O2 2.285(3) .
Zn1 O1W 2.060(4) .
Zn1 O4W 2.070(4) .
Zn1 O3W 2.083(4) .
Zn1 O2W 2.084(4) .
Zn1 O1 2.143(3) .
Zn1 N1 2.150(4) .
O1W H1WA 0.8500 .
O1W H1WB 0.8500 .
N1 C5 1.334(6) .
N1 C1 1.340(7) .
C1 C2 1.381(7) .
C1 H1A 0.9300 .
Mo2 O10 1.695(4) .
Mo2 O14 1.710(4) .
Mo2 O7 1.940(3) .
Mo2 O4 1.945(4) .
Mo2 O9 2.253(3) .
Mo2 O5 2.288(3) .
Zn2 O5W 2.059(4) .
Zn2 O5W 2.059(4) 2_845
Zn2 N2 2.122(4) .
Zn2 N2 2.122(4) 2_845
Zn2 O6W 2.179(4) 2_845
Zn2 O6W 2.179(4) .
O2 Mo3 2.306(3) 2_766
O2W H2WA 0.8500 .
O2W H2WB 0.8500 .
N2 C15 1.325(7) .
N2 C16 1.335(7) .
C2 C3 1.377(8) .
C2 H2A 0.9300 .
Mo3 O8 1.704(4) .
Mo3 O11 1.708(4) .
Mo3 O3 1.918(3) 2_766
Mo3 O4 1.952(4) .
Mo3 O9 2.261(3) .
Mo3 O2 2.306(3) 2_766
O3 Mo3 1.918(3) 2_766
O3W H3WA 0.8500 .
O3W H3WB 0.8500 .
N3 C11 1.308(8) .
N3 C10 1.464(7) .
N3 H3B 0.8602 .
C3 C4 1.390(8) .
C3 H3A 0.9300 .
O4W H4WA 0.8500 .
O4W H4WB 0.8499 .
N4 C6 1.299(7) .
N4 C7 1.449(7) .
N4 H4A 0.8597 .
C4 C5 1.387(7) .
C4 C6 1.495(7) .
O5W H5WA 0.8500 .
O5W H5WB 0.8500 .
C5 H5A 0.9300 .
O6W H6WA 0.8500 .
O6W H6WB 0.8500 .
C6 O13 1.248(6) .
C7 C8 1.514(8) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
O7W H7WA 0.8500 .
O7W H7WB 0.8499 .
C8 C9 1.517(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
O8W H8WA 0.8500 .
O8W H8WB 0.8501 .
C9 C10 1.491(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
O10W H0WA 0.8500 .
O10W H0WB 0.8499 .
C11 O12 1.223(7) .
C11 C12 1.497(7) .
C12 C16 1.378(7) .
C12 C13 1.392(8) .
C13 C14 1.381(8) .
C13 H13A 0.9300 .
C14 C15 1.367(8) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 H16A 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
C5 N1 C1 C2 -1.3(9)
Zn1 N1 C1 C2 178.6(4)
N1 C1 C2 C3 1.4(9)
C1 C2 C3 C4 0.4(9)
C2 C3 C4 C5 -2.3(8)
C2 C3 C4 C6 178.2(5)
C1 N1 C5 C4 -0.8(8)
Zn1 N1 C5 C4 179.3(4)
C3 C4 C5 N1 2.6(8)
C6 C4 C5 N1 -178.0(5)
C7 N4 C6 O13 0.5(9)
C7 N4 C6 C4 179.9(5)
C5 C4 C6 O13 -168.9(5)
C3 C4 C6 O13 10.5(8)
C5 C4 C6 N4 11.7(8)
C3 C4 C6 N4 -168.9(5)
C6 N4 C7 C8 165.1(5)
N4 C7 C8 C9 -171.0(5)
C7 C8 C9 C10 179.3(5)
C11 N3 C10 C9 -160.7(6)
C8 C9 C10 N3 172.8(5)
C10 N3 C11 O12 -0.1(10)
C10 N3 C11 C12 177.5(5)
O12 C11 C12 C16 165.6(6)
N3 C11 C12 C16 -12.1(9)
O12 C11 C12 C13 -13.4(8)
N3 C11 C12 C13 168.9(6)
C16 C12 C13 C14 -0.1(8)
C11 C12 C13 C14 178.9(5)
C12 C13 C14 C15 -0.6(9)
C16 N2 C15 C14 -0.4(9)
Zn2 N2 C15 C14 -179.7(4)
C13 C14 C15 N2 0.9(9)
C15 N2 C16 C12 -0.3(8)
Zn2 N2 C16 C12 178.9(4)
C13 C12 C16 N2 0.6(8)
C11 C12 C16 N2 -178.4(5)
