#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:43:34 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175983 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/72/7037210.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_7037210
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 Co2 Mo8 N12 O39'
_chemical_formula_weight         2395.50
_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                106.1960(10)
_cell_angle_beta                 106.3980(10)
_cell_angle_gamma                97.1570(10)
_cell_formula_units_Z            1
_cell_length_a                   11.7021(8)
_cell_length_b                   13.3591(9)
_cell_length_c                   13.5639(9)
_cell_measurement_reflns_used    3364
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.728
_cell_measurement_theta_min      2.5225
_cell_volume                     1905.3(2)
_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      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0273
_diffrn_reflns_av_unetI/netI     0.0513
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10985
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.627
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.795
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.088
_exptl_crystal_description       block
_exptl_crystal_F_000             1173
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.688
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         6701
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0416
_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)+(0.0659P)²+7.0984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5310
_reflns_number_total             6701
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03375f2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7037208--7037210.cif.'
_cod_database_code               7037210
_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   0.727
_shelx_estimated_absorpt_t_max   0.775
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
Co1 Co 0.54616(18) 0.62475(16) 0.06594(16) 0.0254(4) Uani 0.5 1 d D . P
Co2 Co -0.5000 0.0000 0.5000 0.0235(3) Uani 1 2 d S . P
Mo1 Mo 0.66357(5) 0.90532(5) 0.13020(4) 0.01696(15) Uani 1 1 d . . .
Mo2 Mo 0.60006(5) 0.99779(4) -0.07267(4) 0.01410(15) Uani 1 1 d . . .
Mo3 Mo 0.68678(5) 1.15660(5) 0.24766(5) 0.01855(16) Uani 1 1 d . . .
Mo4 Mo 0.53230(5) 0.72765(5) -0.17173(5) 0.01783(15) Uani 1 1 d . . .
C1 C 0.2517(15) 0.6225(14) -0.0795(12) 0.049(5) Uani 0.5 1 d D U P
H1A H 0.2686 0.6057 -0.1468 0.073 Uiso 0.5 1 calc R U P
H1B H 0.2044 0.6764 -0.0759 0.073 Uiso 0.5 1 calc R U P
H1C H 0.2067 0.5594 -0.0756 0.073 Uiso 0.5 1 calc R U P
C2 C 0.2140(7) 0.5089(7) 0.5887(7) 0.039(2) Uani 1 1 d . . .
H2A H 0.2783 0.5639 0.6389 0.046 Uiso 1 1 calc R U .
C3 C -0.0463(8) 0.3063(7) 0.6712(8) 0.049(2) Uani 1 1 d . . .
C4 C 0.1095(8) 0.3943(7) 0.4050(7) 0.042(2) Uani 1 1 d . . .
H4A H 0.1021 0.3714 0.3317 0.050 Uiso 1 1 calc R U .
C5 C 0.5180(8) 0.6372(7) 0.4322(7) 0.043(2) Uani 1 1 d . . .
H5 H 0.5184 0.6466 0.5029 0.052 Uiso 1 1 calc R U .
C6 C -0.1564(8) 0.2507(7) 0.6862(7) 0.042(2) Uani 1 1 d . . .
C7 C 0.0255(8) 0.3463(7) 0.4419(7) 0.042(2) Uani 1 1 d . . .
H7 H -0.0388 0.2910 0.3919 0.051 Uiso 1 1 calc R U .
C8 C 0.2053(7) 0.4777(6) 0.4804(7) 0.0338(19) Uani 1 1 d . . .
C9 C -0.3522(10) 0.1558(8) 0.7234(7) 0.056(3) Uani 1 1 d . . .
H9 H -0.4198 0.1247 0.7362 0.067 Uiso 1 1 calc R U .
C10 C 0.4155(7) 0.5798(6) 0.3446(6) 0.0327(18) Uani 1 1 d . . .
C11 C 0.9885(6) 0.9675(7) -0.4144(6) 0.0308(18) Uani 1 1 d . . .
C12 C 0.8263(6) 0.7885(6) -0.0685(6) 0.0266(16) Uani 1 1 d . . .
H12 H 0.8141 0.7622 -0.0148 0.032 Uiso 1 1 calc R U .
C13 C -0.2551(7) 0.1795(6) 0.6053(6) 0.0302(17) Uani 1 1 d . . .
H13 H -0.2554 0.1637 0.5340 0.036 Uiso 1 1 calc R U .
C14 C 0.8633(6) 0.8642(6) -0.2264(6) 0.0237(16) Uani 1 1 d . . .
C15 C -0.2570(13) 0.2258(10) 0.8108(8) 0.092(5) Uani 1 1 d . . .
H15 H -0.2601 0.2403 0.8810 0.110 Uiso 1 1 calc R U .
C17 C 0.1296(7) 0.4606(7) 0.6248(7) 0.039(2) Uani 1 1 d . . .
H17 H 0.1368 0.4833 0.6981 0.047 Uiso 1 1 calc R U .
C18 C 0.6194(8) 0.6804(7) 0.4138(7) 0.048(2) Uani 1 1 d . . .
H18 H 0.6893 0.7193 0.4722 0.057 Uiso 1 1 calc R U .
C19 C 0.6173(8) 0.6660(7) 0.3099(7) 0.040(2) Uani 1 1 d . . .
H19 H 0.6869 0.6963 0.2992 0.049 Uiso 1 1 calc R U .
C20 C 0.2999(8) 0.5237(7) 0.3522(7) 0.041(2) Uani 1 1 d . . .
C21 C 0.0340(7) 0.3776(6) 0.5496(7) 0.0338(19) Uani 1 1 d . . .
C22 C 0.8684(6) 0.9018(6) -0.3184(6) 0.0217(15) Uani 1 1 d . . .
C23 C 0.4224(8) 0.5693(8) 0.2419(7) 0.049(2) Uani 1 1 d . . .
H23 H 0.3540 0.5308 0.1818 0.059 Uiso 1 1 calc R U .
C24 C 0.9616(6) 0.8789(6) -0.1345(6) 0.0289(17) Uani 1 1 d . . .
H24 H 1.0388 0.9150 -0.1261 0.035 Uiso 1 1 calc R U .
C25 C 0.7508(6) 0.8107(6) -0.2343(6) 0.0210(15) Uani 1 1 d . . .
H25 H 0.6855 0.7978 -0.2976 0.025 Uiso 1 1 calc R U .
C26 C 0.9430(6) 0.8388(7) -0.0553(6) 0.0322(18) Uani 1 1 d . . .
H26 H 1.0081 0.8457 0.0061 0.039 Uiso 1 1 calc R U .
C27 C -0.1597(12) 0.2729(9) 0.7936(8) 0.078(4) Uani 1 1 d . . .
H27 H -0.0946 0.3199 0.8520 0.093 Uiso 1 1 calc R U .
C28 C 0.9367(7) 0.8988(7) -0.5198(6) 0.0346(19) Uani 1 1 d . . .
H28 H 0.8937 0.8303 -0.5332 0.041 Uiso 1 1 calc R U .
C29 C 1.0523(6) 1.0695(7) -0.3945(6) 0.0313(18) Uani 1 1 d . . .
H29 H 1.0876 1.1164 -0.3235 0.038 Uiso 1 1 calc R U .
N1 N 0.7305(5) 0.7764(4) -0.1562(4) 0.0190(12) Uani 1 1 d . . .
N2 N -0.0599(6) 0.3240(5) 0.5773(6) 0.0376(17) Uani 1 1 d . . .
H2 H -0.1315 0.3012 0.5288 0.045 Uiso 1 1 calc R U .
N3 N 0.2980(6) 0.5292(6) 0.4518(5) 0.0385(17) Uani 1 1 d . . .
H3 H 0.3612 0.5692 0.5052 0.046 Uiso 1 1 calc R U .
N4 N 0.9753(5) 0.9349(6) -0.3263(5) 0.0338(16) Uani 1 1 d . . .
H4 H 1.0403 0.9368 -0.2757 0.041 Uiso 1 1 calc R U .
N5 N -0.3517(6) 0.1310(5) 0.6226(5) 0.0332(15) Uani 1 1 d . . .
N6 N 0.5219(7) 0.6115(6) 0.2239(6) 0.0468(19) Uani 1 1 d . . .
O1 O 0.2137(6) 0.4742(6) 0.2678(5) 0.066(2) Uani 1 1 d . . .
O2 O 0.0539(7) 0.3328(7) 0.7450(6) 0.086(3) Uani 1 1 d . . .
O3 O 0.7719(4) 0.8987(5) -0.3894(4) 0.0389(14) Uani 1 1 d . . .
O4 O 0.7100(5) 1.2259(4) 0.3810(4) 0.0289(12) Uani 1 1 d . . .
O5 O 0.8275(4) 1.1746(4) 0.2338(4) 0.0288(12) Uani 1 1 d . . .
O6 O 0.6278(4) 1.2618(4) 0.1802(4) 0.0207(10) Uani 1 1 d . . .
O7 O 0.6724(4) 1.0145(4) 0.2624(3) 0.0202(10) Uani 1 1 d . . .
O8 O 0.6109(4) 1.0423(4) 0.0794(3) 0.0155(9) Uani 1 1 d . . .
O9 O 0.8148(4) 0.9347(4) 0.1452(4) 0.0286(12) Uani 1 1 d . . .
O10 O 0.4585(4) 0.8979(4) 0.1060(4) 0.0192(10) Uani 1 1 d . . .
O11 O 0.6402(5) 0.7868(4) 0.1540(4) 0.0297(12) Uani 1 1 d . . .
O12 O 0.6020(4) 0.8578(4) -0.0269(3) 0.0166(9) Uani 1 1 d . . .
O13 O 0.7461(4) 1.0243(4) -0.0686(4) 0.0242(11) Uani 1 1 d . . .
O14 O 0.5203(4) 0.8814(4) -0.2066(3) 0.0177(10) Uani 1 1 d . . .
O15 O 0.5145(4) 0.6593(4) -0.3037(4) 0.0284(12) Uani 1 1 d . . .
O16 O 0.5601(5) 0.6406(4) -0.1010(4) 0.0335(13) Uani 1 1 d . . .
O17 O 0.3737(11) 0.6647(11) 0.0173(10) 0.054(3) Uani 0.5 1 d D U P
O1W O 0.7221(10) 0.5891(9) 0.0919(9) 0.045(3) Uani 0.5 1 d . . P
H1WA H 0.7696 0.6214 0.1677 0.054 Uiso 0.5 1 d R U P
H1WB H 0.7134 0.5130 0.0714 0.054 Uiso 0.5 1 d R U P
O2W O 0.4650(12) 0.4731(9) -0.0290(9) 0.051(3) Uani 0.5 1 d D U P
H2WA H 0.4449 0.4384 0.0096 0.062 Uiso 0.5 1 d R U P
H2WB H 0.5147 0.4448 -0.0568 0.062 Uiso 0.5 1 d R U P
O3W O -0.3684(5) -0.0502(4) 0.4280(4) 0.0342(13) Uani 1 1 d . . .
H3WA H -0.2953 -0.0477 0.4840 0.041 Uiso 1 1 d R U .
H3WB H -0.3500 -0.0033 0.3896 0.041 Uiso 1 1 d R U .
O4W O -0.5407(5) 0.0951(5) 0.4022(4) 0.0336(13) Uani 1 1 d . . .
H4WA H -0.5304 0.0621 0.3336 0.040 Uiso 1 1 d R U .
H4WB H -0.6238 0.1022 0.3902 0.040 Uiso 1 1 d 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'
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'
Co Co 0.3494 0.9721 '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
O2W Co1 O2W 22.7(10) 2_665 .
O2W Co1 O17 110.0(7) 2_665 .
O2W Co1 O17 88.0(6) . .
O2W Co1 O1W 70.7(7) 2_665 .
O2W Co1 O1W 91.5(5) . .
O17 Co1 O1W 170.8(5) . .
O2W Co1 O11 156.5(6) 2_665 .
O2W Co1 O11 174.1(4) . .
O17 Co1 O11 93.5(4) . .
O1W Co1 O11 86.1(3) . .
O2W Co1 N6 91.2(6) 2_665 .
O2W Co1 N6 97.6(4) . .
O17 Co1 N6 91.7(4) . .
O1W Co1 N6 97.5(4) . .
O11 Co1 N6 88.1(2) . .
O2W Co1 O16 89.8(6) 2_665 .
O2W Co1 O16 82.2(4) . .
O17 Co1 O16 85.1(4) . .
O1W Co1 O16 85.8(4) . .
O11 Co1 O16 92.2(2) . .
N6 Co1 O16 176.7(2) . .
O4W Co2 O4W 180.0 . 2_456
O4W Co2 O3W 90.4(2) . .
O4W Co2 O3W 89.6(2) 2_456 .
O4W Co2 O3W 89.6(2) . 2_456
O4W Co2 O3W 90.4(2) 2_456 2_456
O3W Co2 O3W 180.0 . 2_456
O4W Co2 N5 89.4(2) . 2_456
O4W Co2 N5 90.6(2) 2_456 2_456
O3W Co2 N5 92.8(2) . 2_456
O3W Co2 N5 87.2(2) 2_456 2_456
O4W Co2 N5 90.6(2) . .
O4W Co2 N5 89.4(2) 2_456 .
O3W Co2 N5 87.2(2) . .
O3W Co2 N5 92.8(2) 2_456 .
N5 Co2 N5 180.0 2_456 .
O9 Mo1 O11 105.3(2) . .
O9 Mo1 O12 97.1(2) . .
O11 Mo1 O12 101.0(2) . .
O9 Mo1 O7 96.7(2) . .
O11 Mo1 O7 105.8(2) . .
O12 Mo1 O7 145.23(19) . .
O9 Mo1 O8 98.1(2) . .
O11 Mo1 O8 156.3(2) . .
O12 Mo1 O8 72.11(17) . .
O7 Mo1 O8 74.46(17) . .
O9 Mo1 O10 168.8(2) . .
O11 Mo1 O10 85.8(2) . .
O12 Mo1 O10 81.43(17) . .
O7 Mo1 O10 78.88(17) . .
O8 Mo1 O10 70.84(15) . .
O13 Mo2 O10 104.2(2) . 2_675
O13 Mo2 O14 103.9(2) . .
O10 Mo2 O14 101.0(2) 2_675 .
O13 Mo2 O8 104.2(2) . .
O10 Mo2 O8 98.04(19) 2_675 .
O14 Mo2 O8 140.78(19) . .
O13 Mo2 O12 98.4(2) . .
O10 Mo2 O12 157.31(18) 2_675 .
O14 Mo2 O12 75.22(17) . .
O8 Mo2 O12 74.06(17) . .
O13 Mo2 O8 179.5(2) . 2_675
O10 Mo2 O8 76.25(17) 2_675 2_675
O14 Mo2 O8 75.60(16) . 2_675
O8 Mo2 O8 76.10(17) . 2_675
O12 Mo2 O8 81.17(15) . 2_675
O5 Mo3 O4 105.2(2) . .
O5 Mo3 O7 100.3(2) . .
O4 Mo3 O7 96.5(2) . .
O5 Mo3 O6 96.3(2) . .
O4 Mo3 O6 99.5(2) . .
O7 Mo3 O6 152.97(18) . .
O5 Mo3 O8 89.6(2) . .
O4 Mo3 O8 163.9(2) . .
O7 Mo3 O8 74.36(17) . .
O6 Mo3 O8 84.60(17) . .
O5 Mo3 O14 161.4(2) . 2_675
O4 Mo3 O14 92.3(2) . 2_675
O7 Mo3 O14 83.31(17) . 2_675
O6 Mo3 O14 74.48(17) . 2_675
O8 Mo3 O14 73.68(15) . 2_675
O15 Mo4 O16 106.6(3) . .
O15 Mo4 O6 101.8(2) . 2_675
O16 Mo4 O6 103.0(2) . 2_675
O15 Mo4 O12 155.1(2) . .
O16 Mo4 O12 90.8(2) . .
O6 Mo4 O12 91.07(18) 2_675 .
O15 Mo4 O14 92.3(2) . .
O16 Mo4 O14 160.4(2) . .
O6 Mo4 O14 77.35(18) 2_675 .
O12 Mo4 O14 69.57(16) . .
O15 Mo4 N1 84.2(2) . .
O16 Mo4 N1 93.6(2) . .
O6 Mo4 N1 159.7(2) 2_675 .
O12 Mo4 N1 76.89(18) . .
O14 Mo4 N1 83.05(18) . .
O17 C1 H1A 109.5 . .
O17 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O17 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C8 C2 C17 122.0(7) . .
C8 C2 H2A 119.0 . .
C17 C2 H2A 119.0 . .
O2 C3 N2 122.2(9) . .
O2 C3 C6 119.7(8) . .
N2 C3 C6 118.1(7) . .
C7 C4 C8 118.6(8) . .
C7 C4 H4A 120.7 . .
C8 C4 H4A 120.7 . .
C18 C5 C10 119.1(8) . .
C18 C5 H5 120.4 . .
C10 C5 H5 120.4 . .
C13 C6 C27 116.3(8) . .
C13 C6 C3 126.0(8) . .
C27 C6 C3 117.7(8) . .
C21 C7 C4 122.3(7) . .
C21 C7 H7 118.9 . .
C4 C7 H7 118.9 . .
C2 C8 C4 119.1(8) . .
C2 C8 N3 117.9(7) . .
C4 C8 N3 122.9(8) . .
N5 C9 C15 122.9(9) . .
N5 C9 H9 118.5 . .
C15 C9 H9 118.5 . .
C5 C10 C23 116.9(8) . .
C5 C10 C20 125.0(8) . .
C23 C10 C20 118.1(7) . .
C28 C11 C29 119.6(7) . .
C28 C11 N4 120.5(7) . .
C29 C11 N4 119.9(7) . .
N1 C12 C26 122.1(6) . .
N1 C12 H12 119.0 . .
C26 C12 H12 119.0 . .
N5 C13 C6 124.0(7) . .
N5 C13 H13 118.0 . .
C6 C13 H13 118.0 . .
C25 C14 C24 118.2(7) . .
C25 C14 C22 116.5(6) . .
C24 C14 C22 125.2(6) . .
C27 C15 C9 119.3(9) . .
C27 C15 H15 120.3 . .
C9 C15 H15 120.3 . .
C2 C17 C21 118.9(8) . .
C2 C17 H17 120.6 . .
C21 C17 H17 120.6 . .
C19 C18 C5 119.7(8) . .
C19 C18 H18 120.1 . .
C5 C18 H18 120.1 . .
N6 C19 C18 123.2(8) . .
N6 C19 H19 118.4 . .
C18 C19 H19 118.4 . .
O1 C20 N3 123.6(9) . .
O1 C20 C10 119.2(8) . .
N3 C20 C10 117.1(7) . .
C7 C21 C17 119.2(8) . .
C7 C21 N2 117.1(7) . .
C17 C21 N2 123.7(8) . .
O3 C22 N4 120.5(6) . .
O3 C22 C14 120.0(6) . .
N4 C22 C14 119.5(6) . .
N6 C23 C10 124.0(8) . .
N6 C23 H23 118.0 . .
C10 C23 H23 118.0 . .
C26 C24 C14 118.8(7) . .
C26 C24 H24 120.6 . .
C14 C24 H24 120.6 . .
N1 C25 C14 123.5(6) . .
N1 C25 H25 118.2 . .
C14 C25 H25 118.2 . .
C24 C26 C12 119.2(6) . .
C24 C26 H26 120.4 . .
C12 C26 H26 120.4 . .
C15 C27 C6 119.8(9) . .
C15 C27 H27 120.1 . .
C6 C27 H27 120.1 . .
C11 C28 C29 120.7(8) . 2_774
C11 C28 H28 119.6 . .
C29 C28 H28 119.6 2_774 .
C28 C29 C11 119.6(7) 2_774 .
C28 C29 H29 120.2 2_774 .
C11 C29 H29 120.2 . .
C25 N1 C12 118.0(6) . .
C25 N1 Mo4 116.0(4) . .
C12 N1 Mo4 125.2(4) . .
C3 N2 C21 125.8(7) . .
C3 N2 H2 117.1 . .
C21 N2 H2 117.1 . .
C20 N3 C8 128.3(7) . .
C20 N3 H3 115.9 . .
C8 N3 H3 115.9 . .
C22 N4 C11 123.2(6) . .
C22 N4 H4 118.4 . .
C11 N4 H4 118.4 . .
C9 N5 C13 117.7(7) . .
C9 N5 Co2 116.4(6) . .
C13 N5 Co2 125.5(5) . .
C19 N6 C23 117.1(8) . .
C19 N6 Co1 112.3(6) . .
C23 N6 Co1 130.0(6) . .
Mo4 O6 Mo3 114.2(2) 2_675 .
Mo1 O7 Mo3 112.1(2) . .
Mo2 O8 Mo3 151.6(2) . .
Mo2 O8 Mo1 102.67(19) . .
Mo3 O8 Mo1 93.36(15) . .
Mo2 O8 Mo2 103.90(17) . 2_675
Mo3 O8 Mo2 97.45(15) . 2_675
Mo1 O8 Mo2 96.09(16) . 2_675
Mo2 O10 Mo1 116.7(2) 2_675 .
Mo1 O11 Co1 138.6(3) . .
Mo1 O12 Mo4 146.9(2) . .
Mo1 O12 Mo2 106.7(2) . .
Mo4 O12 Mo2 106.42(18) . .
Mo2 O14 Mo4 108.30(19) . .
Mo2 O14 Mo3 112.03(19) . 2_675
Mo4 O14 Mo3 90.87(16) . 2_675
Mo4 O16 Co1 137.1(3) . .
C1 O17 Co1 138.8(11) . .
Co1 O1W H1WA 109.1 . .
Co1 O1W H1WB 109.1 . .
H1WA O1W H1WB 109.5 . .
O2W O2W Co1 128(2) 2_665 2_665
O2W O2W Co1 28.8(13) 2_665 .
Co1 O2W Co1 157.3(10) 2_665 .
O2W O2W H2WA 98.0 2_665 .
Co1 O2W H2WA 65.2 2_665 .
Co1 O2W H2WA 109.1 . .
O2W O2W H2WB 89.2 2_665 .
Co1 O2W H2WB 56.9 2_665 .
Co1 O2W H2WB 109.2 . .
H2WA O2W H2WB 109.5 . .
Co2 O3W H3WA 109.3 . .
Co2 O3W H3WB 109.4 . .
H3WA O3W H3WB 109.5 . .
Co2 O4W H4WA 109.2 . .
Co2 O4W H4WB 109.4 . .
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
Co1 O2W 1.238(11) 2_665
Co1 O2W 2.010(10) .
Co1 O17 2.122(12) .
Co1 O1W 2.125(11) .
Co1 O11 2.132(6) .
Co1 N6 2.291(8) .
Co1 O16 2.380(5) .
Co2 O4W 2.083(5) .
Co2 O4W 2.083(5) 2_456
Co2 O3W 2.126(5) .
Co2 O3W 2.126(5) 2_456
Co2 N5 2.198(6) 2_456
Co2 N5 2.198(6) .
Mo1 O9 1.705(5) .
Mo1 O11 1.706(5) .
Mo1 O12 1.931(4) .
Mo1 O7 1.937(4) .
Mo1 O8 2.225(4) .
Mo1 O10 2.314(4) .
Mo2 O13 1.683(4) .
Mo2 O10 1.740(5) 2_675
Mo2 O14 1.922(4) .
Mo2 O8 1.943(4) .
Mo2 O12 2.129(4) .
Mo2 O8 2.430(4) 2_675
Mo3 O5 1.704(5) .
Mo3 O4 1.712(5) .
Mo3 O7 1.956(5) .
Mo3 O6 1.972(5) .
Mo3 O8 2.214(4) .
Mo3 O14 2.284(4) 2_675
Mo4 O15 1.707(5) .
Mo4 O16 1.709(5) .
Mo4 O6 1.869(4) 2_675
Mo4 O12 2.093(4) .
Mo4 O14 2.245(5) .
Mo4 N1 2.263(5) .
C1 O17 1.552(15) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C8 1.380(11) .
C2 C17 1.386(11) .
C2 H2A 0.9300 .
C3 O2 1.240(10) .
C3 N2 1.330(11) .
C3 C6 1.499(12) .
C4 C7 1.388(12) .
C4 C8 1.397(11) .
C4 H4A 0.9300 .
C5 C18 1.371(12) .
C5 C10 1.377(11) .
C5 H5 0.9300 .
C6 C13 1.368(11) .
C6 C27 1.416(13) .
C7 C21 1.374(12) .
C7 H7 0.9300 .
C8 N3 1.414(10) .
C9 N5 1.315(10) .
C9 C15 1.378(14) .
C9 H9 0.9300 .
C10 C23 1.388(12) .
C10 C20 1.507(12) .
C11 C28 1.376(11) .
C11 C29 1.384(11) .
C11 N4 1.421(9) .
C12 N1 1.339(9) .
C12 C26 1.384(10) .
C12 H12 0.9300 .
C13 N5 1.344(9) .
C13 H13 0.9300 .
C14 C25 1.377(9) .
C14 C24 1.383(10) .
C14 C22 1.483(9) .
C15 C27 1.341(16) .
C15 H15 0.9300 .
C17 C21 1.392(11) .
C17 H17 0.9300 .
C18 C19 1.362(11) .
C18 H18 0.9300 .
C19 N6 1.314(11) .
C19 H19 0.9300 .
C20 O1 1.235(10) .
C20 N3 1.340(11) .
C21 N2 1.431(10) .
C22 O3 1.248(8) .
C22 N4 1.319(9) .
C23 N6 1.344(12) .
C23 H23 0.9300 .
C24 C26 1.382(10) .
C24 H24 0.9300 .
C25 N1 1.331(8) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.376(10) 2_774
C28 H28 0.9300 .
C29 C28 1.376(10) 2_774
C29 H29 0.9300 .
N2 H2 0.8600 .
N3 H3 0.8600 .
N4 H4 0.8600 .
O6 Mo4 1.869(4) 2_675
O8 Mo2 2.430(4) 2_675
O10 Mo2 1.740(5) 2_675
O14 Mo3 2.284(4) 2_675
O1W H1WA 0.9600 .
O1W H1WB 0.9600 .
O2W O2W 0.990(19) 2_665
O2W Co1 1.238(11) 2_665
O2W H2WA 0.8500 .
O2W H2WB 0.8500 .
O3W H3WA 0.9600 .
O3W H3WB 0.9600 .
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
O2 C3 C6 C13 -150.9(10) . .
N2 C3 C6 C13 28.0(15) . .
O2 C3 C6 C27 29.0(15) . .
N2 C3 C6 C27 -152.2(10) . .
C8 C4 C7 C21 -0.4(14) . .
C17 C2 C8 C4 -0.7(13) . .
C17 C2 C8 N3 -177.9(8) . .
C7 C4 C8 C2 0.6(13) . .
C7 C4 C8 N3 177.7(8) . .
C18 C5 C10 C23 0.1(13) . .
C18 C5 C10 C20 177.0(8) . .
C27 C6 C13 N5 -0.2(14) . .
C3 C6 C13 N5 179.6(8) . .
N5 C9 C15 C27 1(2) . .
C8 C2 C17 C21 0.6(13) . .
C10 C5 C18 C19 0.0(15) . .
C5 C18 C19 N6 -0.3(15) . .
C5 C10 C20 O1 -179.8(9) . .
C23 C10 C20 O1 -2.9(13) . .
C5 C10 C20 N3 -1.0(13) . .
C23 C10 C20 N3 175.9(8) . .
C4 C7 C21 C17 0.4(14) . .
C4 C7 C21 N2 178.4(8) . .
C2 C17 C21 C7 -0.4(13) . .
C2 C17 C21 N2 -178.3(8) . .
C25 C14 C22 O3 10.7(10) . .
C24 C14 C22 O3 -169.2(7) . .
C25 C14 C22 N4 -167.1(7) . .
C24 C14 C22 N4 13.0(11) . .
C5 C10 C23 N6 0.0(14) . .
C20 C10 C23 N6 -177.1(8) . .
C25 C14 C24 C26 0.4(11) . .
C22 C14 C24 C26 -179.7(7) . .
C24 C14 C25 N1 3.0(11) . .
C22 C14 C25 N1 -176.9(6) . .
C14 C24 C26 C12 -2.1(12) . .
N1 C12 C26 C24 0.6(12) . .
C9 C15 C27 C6 0(2) . .
C13 C6 C27 C15 -0.9(18) . .
C3 C6 C27 C15 179.3(12) . .
C29 C11 C28 C29 0.1(13) . 2_774
N4 C11 C28 C29 179.1(7) . 2_774
C28 C11 C29 C28 -0.1(13) . 2_774
N4 C11 C29 C28 -179.1(7) . 2_774
C14 C25 N1 C12 -4.5(10) . .
C14 C25 N1 Mo4 165.7(6) . .
C26 C12 N1 C25 2.7(11) . .
C26 C12 N1 Mo4 -166.6(6) . .
O2 C3 N2 C21 -2.5(16) . .
C6 C3 N2 C21 178.7(8) . .
C7 C21 N2 C3 149.3(9) . .
C17 C21 N2 C3 -32.8(13) . .
O1 C20 N3 C8 3.8(14) . .
C10 C20 N3 C8 -175.0(8) . .
C2 C8 N3 C20 -169.4(8) . .
C4 C8 N3 C20 13.4(13) . .
O3 C22 N4 C11 -0.8(12) . .
C14 C22 N4 C11 177.0(7) . .
C28 C11 N4 C22 -57.5(11) . .
C29 C11 N4 C22 121.5(8) . .
C15 C9 N5 C13 -2.2(16) . .
C15 C9 N5 Co2 171.1(10) . .
C6 C13 N5 C9 1.8(13) . .
C6 C13 N5 Co2 -170.9(7) . .
C18 C19 N6 C23 0.4(14) . .
C18 C19 N6 Co1 172.4(8) . .
C10 C23 N6 C19 -0.3(14) . .
C10 C23 N6 Co1 -170.5(7) . .
O9 Mo1 O11 Co1 -112.2(4) . .
O12 Mo1 O11 Co1 -11.5(5) . .
O7 Mo1 O11 Co1 146.1(4) . .
O8 Mo1 O11 Co1 58.9(7) . .
O10 Mo1 O11 Co1 68.9(4) . .
O15 Mo4 O16 Co1 -159.2(4) . .
O6 Mo4 O16 Co1 -52.5(4) 2_675 .
O12 Mo4 O16 Co1 38.8(4) . .
O14 Mo4 O16 Co1 36.3(9) . .
N1 Mo4 O16 Co1 115.7(4) . .
