#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:43:34 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175983 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/72/7037209.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_7037209
loop_
_publ_author_name
'Xu, Na'
'Zhang, Ju-Wen'
'Wang, Xiu-Li'
'Liu, Guo-Cheng'
'Li, Tian-Jiao'
_publ_section_title
;
 Solvent-induced Mn(ii)/Zn(ii)/Co(ii) organopolymolybdate compounds
 constructed by bis-pyridyl-bis-amide ligands through the Mo-N bond:
 synthesis, structures and properties.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              760
_journal_page_last               767
_journal_paper_doi               10.1039/c5dt03375f
_journal_volume                  45
_journal_year                    2015
_chemical_formula_sum            'C55 H57 Mo8 N12 O39 Zn2'
_chemical_formula_weight         2408.38
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-10-16 deposited with the CCDC.
2015-11-08 downloaded from the CCDC.
;
_cell_angle_alpha                106.088(2)
_cell_angle_beta                 106.707(2)
_cell_angle_gamma                97.176(2)
_cell_formula_units_Z            1
_cell_length_a                   11.7091(11)
_cell_length_b                   13.2967(11)
_cell_length_c                   13.6131(11)
_cell_measurement_reflns_used    2044
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.8265
_cell_measurement_theta_min      2.1885
_cell_volume                     1901.7(3)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0718
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10975
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.635
_exptl_absorpt_coefficient_mu    1.992
_exptl_absorpt_correction_T_max  0.631
_exptl_absorpt_correction_T_min  0.568
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_description       block
_exptl_crystal_F_000             1179
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.922
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         6690
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0455
_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)+(0.0659P)²+2.8766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1292
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4921
_reflns_number_total             6690
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03375f2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7037208--7037210.cif.'
_cod_database_code               7037209
_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   0.636
_shelx_estimated_absorpt_t_max   0.691
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
Zn1 Zn 0.54187(19) 0.61788(17) 0.07191(16) 0.0300(5) Uani 0.5 1 d . . P
Zn2 Zn -0.5000 0.0000 0.5000 0.0252(3) Uani 1 2 d S . P
Mo1 Mo 0.66332(6) 0.90338(5) 0.12918(5) 0.01666(17) Uani 1 1 d . . .
Mo2 Mo 0.60031(6) 0.99896(5) -0.07178(5) 0.01374(17) Uani 1 1 d . . .
Mo3 Mo 0.68719(6) 1.15558(5) 0.24779(5) 0.01815(17) Uani 1 1 d . . .
Mo4 Mo 0.46769(6) 1.27224(5) 0.17304(5) 0.01751(17) Uani 1 1 d . . .
C1 C 0.1310(8) 0.4613(7) 0.6274(8) 0.037(2) Uani 1 1 d . . .
H1A H 0.1386 0.4841 0.7004 0.044 Uiso 1 1 calc R U .
C3 C -0.0465(9) 0.3076(8) 0.6742(8) 0.045(3) Uani 1 1 d . . .
C4 C 0.6150(10) 0.6657(7) 0.3122(7) 0.041(2) Uani 1 1 d . . .
H4A H 0.6846 0.6948 0.3009 0.049 Uiso 1 1 calc R U .
C5 C 0.2986(10) 0.5226(8) 0.3530(8) 0.043(2) Uani 1 1 d . . .
C6 C 0.0128(8) 1.0309(8) 0.4143(7) 0.033(2) Uani 1 1 d . . .
C7 C -0.1594(10) 0.2529(8) 0.6878(8) 0.045(3) Uani 1 1 d . . .
C8 C 0.0513(8) 1.0701(7) 0.6051(7) 0.034(2) Uani 1 1 d . . .
H8 H 0.0865 1.1177 0.6758 0.040 Uiso 1 1 calc R U .
C9 C 0.6188(9) 0.6820(7) 0.4178(8) 0.043(3) Uani 1 1 d . . .
H9 H 0.6886 0.7220 0.4761 0.052 Uiso 1 1 calc R U .
C10 C -0.3532(11) 0.1561(9) 0.7248(8) 0.057(3) Uani 1 1 d . . .
H10 H -0.4205 0.1235 0.7369 0.068 Uiso 1 1 calc R U .
C11 C 0.2052(8) 0.4772(7) 0.4827(7) 0.033(2) Uani 1 1 d . . .
C12 C 0.5166(9) 0.6375(7) 0.4343(7) 0.042(3) Uani 1 1 d . . .
H12 H 0.5166 0.6469 0.5046 0.051 Uiso 1 1 calc R U .
C13 C -0.2589(14) 0.2292(10) 0.8140(9) 0.087(5) Uani 1 1 d . . .
H13 H -0.2630 0.2447 0.8837 0.104 Uiso 1 1 calc R U .
C14 C 0.1070(9) 0.3934(7) 0.4082(8) 0.043(2) Uani 1 1 d . . .
H14 H 0.0986 0.3709 0.3350 0.052 Uiso 1 1 calc R U .
C15 C 0.4139(9) 0.5788(6) 0.3467(7) 0.032(2) Uani 1 1 d . . .
C16 C -0.2572(8) 0.1795(7) 0.6065(7) 0.032(2) Uani 1 1 d . . .
H16 H -0.2569 0.1631 0.5356 0.038 Uiso 1 1 calc R U .
C17 C 0.4191(10) 0.5683(7) 0.2434(8) 0.043(2) Uani 1 1 d . . .
H17 H 0.3503 0.5297 0.1833 0.052 Uiso 1 1 calc R U .
C18 C 0.0350(8) 0.3769(7) 0.5521(8) 0.033(2) Uani 1 1 d . . .
C19 C 0.2138(9) 0.5098(7) 0.5916(8) 0.040(2) Uani 1 1 d . . .
H19 H 0.2775 0.5661 0.6414 0.048 Uiso 1 1 calc R U .
C20 C 0.0243(9) 0.3453(7) 0.4429(8) 0.042(2) Uani 1 1 d . . .
H20 H -0.0407 0.2903 0.3927 0.050 Uiso 1 1 calc R U .
C21 C 0.1324(7) 1.0978(6) 0.3206(6) 0.0215(18) Uani 1 1 d . . .
C22 C 0.1738(7) 1.2098(6) 0.0692(6) 0.0245(18) Uani 1 1 d . . .
H22 H 0.1862 1.2350 0.0150 0.029 Uiso 1 1 calc R U .
C23 C 0.0634(8) 1.1008(8) 0.5185(7) 0.037(2) Uani 1 1 d . . .
H23 H 0.1063 1.1696 0.5313 0.044 Uiso 1 1 calc R U .
C24 C 0.1370(7) 1.1347(6) 0.2269(6) 0.0212(17) Uani 1 1 d . . .
C25 C 0.0378(8) 1.1192(7) 0.1346(6) 0.0273(19) Uani 1 1 d . . .
H25 H -0.0396 1.0828 0.1258 0.033 Uiso 1 1 calc R U .
C26 C -0.1611(13) 0.2769(10) 0.7962(9) 0.081(5) Uani 1 1 d . . .
H26 H -0.0957 0.3248 0.8540 0.098 Uiso 1 1 calc R U .
C27 C 0.0576(8) 1.1601(7) 0.0555(7) 0.031(2) Uani 1 1 d . . .
H27 H -0.0073 1.1538 -0.0060 0.037 Uiso 1 1 calc R U .
C28 C 0.2496(7) 1.1894(6) 0.2352(6) 0.0200(17) Uani 1 1 d . . .
H28 H 0.3148 1.2032 0.2989 0.024 Uiso 1 1 calc R U .
C30 C 0.2464(18) 0.6202(14) -0.0820(14) 0.038(5) Uani 0.5 1 d . . P
H30A H 0.2598 0.5989 -0.1504 0.057 Uiso 0.5 1 calc R U P
H30B H 0.2031 0.6771 -0.0788 0.057 Uiso 0.5 1 calc R U P
H30C H 0.1989 0.5601 -0.0748 0.057 Uiso 0.5 1 calc R U P
N1 N 0.2968(7) 0.5294(6) 0.4534(6) 0.0371(19) Uani 1 1 d . . .
H1 H 0.3595 0.5710 0.5066 0.045 Uiso 1 1 calc R U .
N2 N -0.3524(7) 0.1305(5) 0.6233(6) 0.0321(18) Uani 1 1 d . . .
N3 N -0.0596(7) 0.3250(6) 0.5806(6) 0.0352(18) Uani 1 1 d . . .
H3 H -0.1315 0.3031 0.5325 0.042 Uiso 1 1 calc R U .
N4 N 0.0257(6) 1.0642(6) 0.3269(5) 0.0346(19) Uani 1 1 d . . .
H4 H -0.0392 1.0622 0.2761 0.041 Uiso 1 1 calc R U .
N5 N 0.2703(6) 1.2235(5) 0.1574(5) 0.0200(14) Uani 1 1 d . . .
N6 N 0.5184(8) 0.6112(7) 0.2266(6) 0.044(2) Uani 1 1 d . . .
O4 O 0.0515(8) 0.3356(7) 0.7487(7) 0.089(3) Uani 1 1 d . U .
O5 O 0.2280(5) 1.1005(6) 0.3894(5) 0.0404(17) Uani 1 1 d . . .
O6 O 0.4870(5) 1.3402(4) 0.3057(4) 0.0276(13) Uani 1 1 d . . .
O7 O 0.6281(5) 1.2608(4) 0.1812(4) 0.0192(11) Uani 1 1 d . . .
O8 O 0.7101(5) 1.2244(4) 0.3807(4) 0.0293(14) Uani 1 1 d . . .
O9 O 0.6399(5) 0.7839(4) 0.1526(4) 0.0296(14) Uani 1 1 d . . .
O10 O 0.4394(5) 1.3600(4) 0.1040(5) 0.0311(14) Uani 1 1 d . . .
O11 O 0.3788(13) 0.6624(11) 0.0174(11) 0.046(3) Uani 0.5 1 d . . P
O12 O 0.8153(5) 0.9325(4) 0.1451(4) 0.0270(13) Uani 1 1 d . . .
O13 O 0.7470(5) 1.0255(4) -0.0659(4) 0.0253(13) Uani 1 1 d . . .
O14 O 0.5429(5) 1.1055(4) -0.1032(4) 0.0195(12) Uani 1 1 d . . .
O15 O 0.4793(5) 1.1168(4) 0.2061(4) 0.0176(11) Uani 1 1 d . . .
O16 O 0.8276(5) 1.1736(4) 0.2343(4) 0.0260(13) Uani 1 1 d . . .
O17 O 0.6107(4) 1.0418(4) 0.0798(4) 0.0146(11) Uani 1 1 d . . .
O18 O 0.6725(5) 1.0118(4) 0.2612(4) 0.0200(12) Uani 1 1 d . . .
O19 O 0.6021(5) 0.8570(4) -0.0277(4) 0.0163(11) Uani 1 1 d . . .
O20 O 0.2121(7) 0.4711(7) 0.2703(6) 0.071(3) Uani 1 1 d . . .
O1W O -0.6321(6) 0.0512(5) 0.5723(5) 0.0335(14) Uani 1 1 d . . .
H1WA H -0.6369 0.0149 0.6234 0.040 Uiso 1 1 d R U .
H1WB H -0.7106 0.0337 0.5166 0.040 Uiso 1 1 d R U .
O2W O -0.5398(5) 0.0982(5) 0.4031(4) 0.0295(14) Uani 1 1 d . . .
H2WA H -0.6178 0.1150 0.4006 0.035 Uiso 1 1 d R U .
H2WB H -0.5425 0.0607 0.3310 0.035 Uiso 1 1 d R U .
O3W O 0.4646(13) 0.4676(9) -0.0320(10) 0.044(3) Uani 0.5 1 d . U P
H3WA H 0.4701 0.4637 -0.0938 0.053 Uiso 0.5 1 d R U P
H3WB H 0.5018 0.4238 -0.0080 0.053 Uiso 0.5 1 d R U P
O4W O 0.7176(12) 0.5841(10) 0.0954(10) 0.044(3) Uani 0.5 1 d . . P
H4WA H 0.7094 0.5078 0.0682 0.053 Uiso 0.5 1 d R U P
H4WB H 0.7640 0.6106 0.1716 0.053 Uiso 0.5 1 d R 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'
Zn Zn 0.2839 1.4301 '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'
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
O3W Zn1 O3W 22.6(12) 2_665 .
O3W Zn1 O11 112.0(9) 2_665 .
O3W Zn1 O11 89.5(6) . .
O3W Zn1 O4W 69.0(8) 2_665 .
O3W Zn1 O4W 90.4(6) . .
O11 Zn1 O4W 165.4(5) . .
O3W Zn1 O9 153.4(8) 2_665 .
O3W Zn1 O9 166.3(4) . .
O11 Zn1 O9 91.8(4) . .
O4W Zn1 O9 84.9(4) . .
O3W Zn1 N6 99.7(7) 2_665 .
O3W Zn1 N6 103.7(4) . .
O11 Zn1 N6 94.5(4) . .
O4W Zn1 N6 99.7(4) . .
O9 Zn1 N6 89.8(3) . .
O3W Zn1 Zn1 14.6(8) 2_665 2_665
O3W Zn1 Zn1 7.9(4) . 2_665
O11 Zn1 Zn1 97.4(4) . 2_665
O4W Zn1 Zn1 82.9(3) . 2_665
O9 Zn1 Zn1 164.0(2) . 2_665
N6 Zn1 Zn1 102.5(2) . 2_665
O2W Zn2 O2W 180.0 2_456 .
O2W Zn2 O1W 89.5(2) 2_456 2_456
O2W Zn2 O1W 90.5(2) . 2_456
O2W Zn2 O1W 90.5(2) 2_456 .
O2W Zn2 O1W 89.5(2) . .
O1W Zn2 O1W 180.0 2_456 .
O2W Zn2 N2 90.3(2) 2_456 2_456
O2W Zn2 N2 89.7(2) . 2_456
O1W Zn2 N2 92.3(3) 2_456 2_456
O1W Zn2 N2 87.7(3) . 2_456
O2W Zn2 N2 89.7(2) 2_456 .
O2W Zn2 N2 90.3(2) . .
O1W Zn2 N2 87.7(3) 2_456 .
O1W Zn2 N2 92.3(3) . .
N2 Zn2 N2 180.0 2_456 .
O12 Mo1 O9 104.9(3) . .
O12 Mo1 O18 96.8(2) . .
O9 Mo1 O18 105.5(2) . .
O12 Mo1 O19 97.0(2) . .
O9 Mo1 O19 101.5(2) . .
O18 Mo1 O19 145.3(2) . .
O12 Mo1 O17 98.6(2) . .
O9 Mo1 O17 156.3(2) . .
O18 Mo1 O17 74.41(18) . .
O19 Mo1 O17 72.15(18) . .
O12 Mo1 O14 169.4(2) . 2_675
O9 Mo1 O14 85.7(2) . 2_675
O18 Mo1 O14 79.3(2) . 2_675
O19 Mo1 O14 81.30(19) . 2_675
O17 Mo1 O14 70.95(17) . 2_675
O13 Mo2 O14 104.3(2) . .
O13 Mo2 O15 104.0(2) . 2_675
O14 Mo2 O15 101.5(2) . 2_675
O13 Mo2 O17 103.9(2) . .
O14 Mo2 O17 97.8(2) . .
O15 Mo2 O17 140.7(2) 2_675 .
O13 Mo2 O19 97.9(2) . .
O14 Mo2 O19 157.7(2) . .
O15 Mo2 O19 75.20(19) 2_675 .
O17 Mo2 O19 74.02(19) . .
O13 Mo2 O17 179.1(2) . 2_675
O14 Mo2 O17 76.6(2) . 2_675
O15 Mo2 O17 75.71(18) 2_675 2_675
O17 Mo2 O17 75.9(2) . 2_675
O19 Mo2 O17 81.27(17) . 2_675
O16 Mo3 O8 105.6(3) . .
O16 Mo3 O7 96.5(2) . .
O8 Mo3 O7 99.5(2) . .
O16 Mo3 O18 100.0(2) . .
O8 Mo3 O18 96.7(2) . .
O7 Mo3 O18 152.7(2) . .
O16 Mo3 O17 89.5(2) . .
O8 Mo3 O17 163.7(2) . .
O7 Mo3 O17 84.43(19) . .
O18 Mo3 O17 74.20(19) . .
O16 Mo3 O15 161.4(2) . .
O8 Mo3 O15 92.1(2) . .
O7 Mo3 O15 74.45(19) . .
O18 Mo3 O15 83.19(19) . .
O17 Mo3 O15 73.59(17) . .
O10 Mo4 O6 106.6(3) . .
O10 Mo4 O7 103.5(2) . .
O6 Mo4 O7 101.7(2) . .
O10 Mo4 O19 90.7(2) . 2_675
O6 Mo4 O19 155.5(2) . 2_675
O7 Mo4 O19 90.6(2) . 2_675
O10 Mo4 O15 160.4(2) . .
O6 Mo4 O15 92.4(2) . .
O7 Mo4 O15 77.09(19) . .
O19 Mo4 O15 69.63(18) 2_675 .
O10 Mo4 N5 93.4(3) . .
O6 Mo4 N5 84.4(2) . .
O7 Mo4 N5 159.4(2) . .
O19 Mo4 N5 77.2(2) 2_675 .
O15 Mo4 N5 83.1(2) . .
C19 C1 C18 118.9(9) . .
C19 C1 H1A 120.5 . .
C18 C1 H1A 120.5 . .
O4 C3 N3 122.7(9) . .
O4 C3 C7 119.9(9) . .
N3 C3 C7 117.4(8) . .
N6 C4 C9 123.7(9) . .
N6 C4 H4A 118.1 . .
C9 C4 H4A 118.1 . .
O20 C5 N1 122.5(10) . .
O20 C5 C15 120.9(9) . .
N1 C5 C15 116.5(9) . .
C8 C6 C23 120.0(7) 2_576 .
C8 C6 N4 120.3(8) 2_576 .
C23 C6 N4 119.7(8) . .
C16 C7 C26 117.4(9) . .
C16 C7 C3 126.1(9) . .
C26 C7 C3 116.4(9) . .
C6 C8 C23 119.4(8) 2_576 .
C6 C8 H8 120.3 2_576 .
C23 C8 H8 120.3 . .
C12 C9 C4 118.1(9) . .
C12 C9 H9 121.0 . .
C4 C9 H9 121.0 . .
N2 C10 C13 123.7(10) . .
N2 C10 H10 118.1 . .
C13 C10 H10 118.1 . .
C19 C11 C14 118.2(8) . .
C19 C11 N1 118.1(8) . .
C14 C11 N1 123.6(8) . .
C9 C12 C15 120.0(9) . .
C9 C12 H12 120.0 . .
C15 C12 H12 120.0 . .
C26 C13 C10 118.0(10) . .
C26 C13 H13 121.0 . .
C10 C13 H13 121.0 . .
C20 C14 C11 120.3(9) . .
C20 C14 H14 119.9 . .
C11 C14 H14 119.9 . .
C12 C15 C17 117.4(9) . .
C12 C15 C5 125.5(8) . .
C17 C15 C5 117.1(8) . .
N2 C16 C7 123.7(8) . .
N2 C16 H16 118.1 . .
C7 C16 H16 118.1 . .
N6 C17 C15 123.0(9) . .
N6 C17 H17 118.5 . .
C15 C17 H17 118.5 . .
C20 C18 C1 119.5(8) . .
C20 C18 N3 117.3(8) . .
C1 C18 N3 123.0(8) . .
C1 C19 C11 121.9(8) . .
C1 C19 H19 119.0 . .
C11 C19 H19 119.0 . .
C14 C20 C18 121.1(8) . .
C14 C20 H20 119.4 . .
C18 C20 H20 119.4 . .
O5 C21 N4 121.7(7) . .
O5 C21 C24 119.5(7) . .
N4 C21 C24 118.8(7) . .
N5 C22 C27 122.8(7) . .
N5 C22 H22 118.6 . .
C27 C22 H22 118.6 . .
C6 C23 C8 120.6(8) . .
C6 C23 H23 119.7 . .
C8 C23 H23 119.7 . .
C28 C24 C25 118.3(7) . .
C28 C24 C21 116.4(7) . .
C25 C24 C21 125.3(7) . .
C24 C25 C27 118.0(8) . .
C24 C25 H25 121.0 . .
C27 C25 H25 121.0 . .
C13 C26 C7 119.4(11) . .
C13 C26 H26 120.3 . .
C7 C26 H26 120.3 . .
C22 C27 C25 119.4(8) . .
C22 C27 H27 120.3 . .
C25 C27 H27 120.3 . .
N5 C28 C24 123.9(7) . .
N5 C28 H28 118.0 . .
C24 C28 H28 118.0 . .
O11 C30 H30A 109.5 . .
O11 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
O11 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C5 N1 C11 128.5(8) . .
C5 N1 H1 115.7 . .
C11 N1 H1 115.7 . .
C16 N2 C10 117.7(8) . .
C16 N2 Zn2 125.1(6) . .
C10 N2 Zn2 116.9(6) . .
C3 N3 C18 126.1(8) . .
C3 N3 H3 116.9 . .
C18 N3 H3 116.9 . .
C21 N4 C6 122.7(7) . .
C21 N4 H4 118.7 . .
C6 N4 H4 118.7 . .
C28 N5 C22 117.4(7) . .
C28 N5 Mo4 116.4(5) . .
C22 N5 Mo4 125.4(5) . .
C4 N6 C17 117.9(8) . .
C4 N6 Zn1 112.7(7) . .
C17 N6 Zn1 129.2(7) . .
Mo4 O7 Mo3 114.5(2) . .
Mo1 O9 Zn1 141.5(3) . .
C30 O11 Zn1 141.3(10) . .
Mo2 O14 Mo1 116.1(2) . 2_675
Mo2 O15 Mo4 108.3(2) 2_675 .
Mo2 O15 Mo3 111.9(2) 2_675 .
Mo4 O15 Mo3 90.72(17) . .
Mo2 O17 Mo3 151.1(2) . .
Mo2 O17 Mo1 102.7(2) . .
Mo3 O17 Mo1 93.48(17) . .
Mo2 O17 Mo2 104.1(2) . 2_675
Mo3 O17 Mo2 97.64(17) . 2_675
Mo1 O17 Mo2 96.18(17) . 2_675
Mo1 O18 Mo3 112.1(2) . .
Mo1 O19 Mo4 147.0(3) . 2_675
Mo1 O19 Mo2 106.6(2) . .
Mo4 O19 Mo2 106.4(2) 2_675 .
Zn2 O1W H1WA 109.3 . .
Zn2 O1W H1WB 109.2 . .
H1WA O1W H1WB 109.5 . .
Zn2 O2W H2WA 109.3 . .
Zn2 O2W H2WB 109.2 . .
H2WA O2W H2WB 109.5 . .
O3W O3W Zn1 135(2) 2_665 2_665
O3W O3W Zn1 22.8(11) 2_665 .
Zn1 O3W Zn1 157.5(12) 2_665 .
O3W O3W H3WA 110.8 2_665 .
Zn1 O3W H3WA 75.1 2_665 .
Zn1 O3W H3WA 109.3 . .
O3W O3W H3WB 88.0 2_665 .
Zn1 O3W H3WB 50.2 2_665 .
Zn1 O3W H3WB 109.3 . .
H3WA O3W H3WB 109.5 . .
Zn1 O4W H4WA 109.2 . .
Zn1 O4W H4WB 109.1 . .
H4WA O4W H4WB 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3W 1.098(12) 2_665
Zn1 O3W 2.014(12) .
Zn1 O11 2.063(14) .
Zn1 O4W 2.114(13) .
Zn1 O9 2.167(6) .
Zn1 N6 2.225(8) .
Zn1 Zn1 3.058(4) 2_665
Zn2 O2W 2.101(5) 2_456
Zn2 O2W 2.102(5) .
Zn2 O1W 2.143(5) 2_456
Zn2 O1W 2.143(5) .
Zn2 N2 2.187(7) 2_456
Zn2 N2 2.188(7) .
Mo1 O12 1.709(5) .
Mo1 O9 1.710(5) .
Mo1 O18 1.932(5) .
Mo1 O19 1.933(5) .
Mo1 O17 2.225(5) .
Mo1 O14 2.321(5) 2_675
Mo2 O13 1.684(5) .
Mo2 O14 1.746(5) .
Mo2 O15 1.919(5) 2_675
Mo2 O17 1.945(4) .
Mo2 O19 2.134(5) .
Mo2 O17 2.426(5) 2_675
Mo3 O16 1.701(5) .
Mo3 O8 1.710(5) .
Mo3 O7 1.961(5) .
Mo3 O18 1.962(5) .
Mo3 O17 2.211(5) .
Mo3 O15 2.290(5) .
Mo4 O10 1.698(5) .
Mo4 O6 1.714(5) .
Mo4 O7 1.877(5) .
Mo4 O19 2.090(5) 2_675
Mo4 O15 2.245(5) .
Mo4 N5 2.252(6) .
C1 C19 1.372(12) .
C1 C18 1.399(12) .
C1 H1A 0.9300 .
C3 O4 1.224(12) .
C3 N3 1.326(11) .
C3 C7 1.512(13) .
C4 N6 1.316(12) .
C4 C9 1.379(12) .
C4 H4A 0.9300 .
C5 O20 1.227(12) .
C5 N1 1.351(11) .
C5 C15 1.497(13) .
C6 C8 1.368(12) 2_576
C6 C23 1.369(12) .
C6 N4 1.419(10) .
C7 C16 1.372(12) .
C7 C26 1.427(14) .
C8 C6 1.368(12) 2_576
C8 C23 1.388(11) .
C8 H8 0.9300 .
C9 C12 1.374(13) .
C9 H9 0.9300 .
C10 N2 1.332(11) .
C10 C13 1.395(15) .
C10 H10 0.9300 .
C11 C19 1.394(12) .
C11 C14 1.405(12) .
C11 N1 1.415(11) .
C12 C15 1.379(13) .
C12 H12 0.9300 .
C13 C26 1.355(16) .
C13 H13 0.9300 .
C14 C20 1.359(12) .
C14 H14 0.9300 .
C15 C17 1.394(12) .
C16 N2 1.329(10) .
C16 H16 0.9300 .
C17 N6 1.337(12) .
C17 H17 0.9300 .
C18 C20 1.392(12) .
C18 N3 1.434(11) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 O5 1.225(9) .
C21 N4 1.309(10) .
C21 C24 1.500(10) .
C22 N5 1.341(10) .
C22 C27 1.372(11) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C28 1.382(10) .
C24 C25 1.389(11) .
C25 C27 1.395(11) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 N5 1.331(9) .
C28 H28 0.9300 .
C30 O11 1.64(2) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
N1 H1 0.8600 .
N3 H3 0.8600 .
N4 H4 0.8600 .
O14 Mo1 2.321(5) 2_675
O15 Mo2 1.919(5) 2_675
O17 Mo2 2.426(5) 2_675
O19 Mo4 2.090(5) 2_675
O1W H1WA 0.9600 .
O1W H1WB 0.9600 .
O2W H2WA 0.9600 .
O2W H2WB 0.9600 .
O3W O3W 1.09(2) 2_665
O3W Zn1 1.098(12) 2_665
O3W H3WA 0.8500 .
O3W H3WB 0.8500 .
O4W H4WA 0.9600 .
O4W H4WB 0.9600 .
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_4
O4 C3 C7 C16 -150.6(12) . .
N3 C3 C7 C16 30.5(16) . .
O4 C3 C7 C26 26.5(17) . .
N3 C3 C7 C26 -152.3(11) . .
N6 C4 C9 C12 1.0(16) . .
C4 C9 C12 C15 -0.3(15) . .
N2 C10 C13 C26 0(2) . .
C19 C11 C14 C20 -0.9(15) . .
N1 C11 C14 C20 178.3(9) . .
C9 C12 C15 C17 -0.5(14) . .
C9 C12 C15 C5 177.4(9) . .
O20 C5 C15 C12 -179.2(10) . .
N1 C5 C15 C12 -0.8(14) . .
O20 C5 C15 C17 -1.2(14) . .
N1 C5 C15 C17 177.1(8) . .
C26 C7 C16 N2 0.2(16) . .
C3 C7 C16 N2 177.3(9) . .
C12 C15 C17 N6 0.7(14) . .
C5 C15 C17 N6 -177.4(9) . .
C19 C1 C18 C20 -1.1(15) . .
C19 C1 C18 N3 -176.6(9) . .
C18 C1 C19 C11 -0.3(15) . .
C14 C11 C19 C1 1.3(15) . .
N1 C11 C19 C1 -178.0(9) . .
C11 C14 C20 C18 -0.4(16) . .
C1 C18 C20 C14 1.5(15) . .
N3 C18 C20 C14 177.2(9) . .
C8 C6 C23 C8 0.5(16) 2_576 .
N4 C6 C23 C8 179.7(8) . .
C6 C8 C23 C6 -0.5(16) 2_576 .
O5 C21 C24 C28 -12.2(11) . .
N4 C21 C24 C28 167.2(7) . .
O5 C21 C24 C25 168.5(8) . .
N4 C21 C24 C25 -12.1(12) . .
C28 C24 C25 C27 -0.1(12) . .
C21 C24 C25 C27 179.1(8) . .
C10 C13 C26 C7 1(2) . .
C16 C7 C26 C13 -1.6(19) . .
C3 C7 C26 C13 -179.0(13) . .
N5 C22 C27 C25 -1.6(13) . .
C24 C25 C27 C22 2.6(12) . .
C25 C24 C28 N5 -3.6(12) . .
C21 C24 C28 N5 177.1(7) . .
O20 C5 N1 C11 4.3(16) . .
C15 C5 N1 C11 -174.1(8) . .
C19 C11 N1 C5 -169.7(9) . .
C14 C11 N1 C5 11.0(15) . .
C7 C16 N2 C10 1.3(14) . .
C7 C16 N2 Zn2 -172.6(8) . .
C13 C10 N2 C16 -1.5(18) . .
C13 C10 N2 Zn2 172.9(11) . .
O4 C3 N3 C18 0.2(17) . .
C7 C3 N3 C18 179.0(8) . .
C20 C18 N3 C3 150.1(10) . .
C1 C18 N3 C3 -34.3(14) . .
O5 C21 N4 C6 1.4(13) . .
C24 C21 N4 C6 -178.0(8) . .
C8 C6 N4 C21 -122.5(10) 2_576 .
C23 C6 N4 C21 58.4(13) . .
C24 C28 N5 C22 4.6(11) . .
C24 C28 N5 Mo4 -165.1(6) . .
C27 C22 N5 C28 -1.9(11) . .
C27 C22 N5 Mo4 166.8(6) . .
C9 C4 N6 C17 -0.9(15) . .
C9 C4 N6 Zn1 173.8(8) . .
C15 C17 N6 C4 0.0(14) . .
C15 C17 N6 Zn1 -173.7(7) . .
O10 Mo4 O7 Mo3 -175.7(3) . .
O6 Mo4 O7 Mo3 73.9(3) . .
O19 Mo4 O7 Mo3 -84.8(3) 2_675 .
O15 Mo4 O7 Mo3 -15.8(2) . .
N5 Mo4 O7 Mo3 -31.6(8) . .
O12 Mo1 O9 Zn1 -115.5(5) . .
O18 Mo1 O9 Zn1 142.9(5) . .
O19 Mo1 O9 Zn1 -15.0(6) . .
O17 Mo1 O9 Zn1 56.5(8) . .
O14 Mo1 O9 Zn1 65.2(5) 2_675 .
O13 Mo2 O14 Mo1 176.6(2) . 2_675
O15 Mo2 O14 Mo1 68.8(3) 2_675 2_675
O17 Mo2 O14 Mo1 -76.8(3) . 2_675
O19 Mo2 O14 Mo1 -10.3(7) . 2_675
O17 Mo2 O14 Mo1 -3.3(2) 2_675 2_675
