#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:12:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180381 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/50/7205060.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_7205060
loop_
_publ_author_name
'Li, Ming-Xing'
'Chen, Hui-Ling'
'Geng, Jin-Peng'
'He, Xiang'
'Shao, Min'
'Zhu, Shou-Rong'
'Wang, Zhao-Xi'
_publ_section_title
;
 Unprecedented cyclic [Mo6O19]2− cluster and five
 organic--inorganic hybrids based on polyoxomolybdates and
 4-amino-3,5-bis(pyridyl)-1,2,4-triazole
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1687
_journal_paper_doi               10.1039/c002063j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C24 H28 Co Mo6 N12 O23'
_chemical_formula_weight         1487.15
_chemical_name_systematic
;

?

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.7860(10)
_cell_angle_beta                 113.8000(10)
_cell_angle_gamma                105.4690(10)
_cell_formula_units_Z            1
_cell_length_a                   9.5193(8)
_cell_length_b                   10.9534(9)
_cell_length_c                   11.4935(9)
_cell_measurement_reflns_used    4935
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.40
_cell_volume                     1043.61(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5378
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    2.231
_exptl_absorpt_correction_T_max  0.6639
_exptl_absorpt_correction_T_min  0.6054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             719
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.971
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3617
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0316P)²+3.1780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0710
_reflns_number_gt                3468
_reflns_number_total             3617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C002063J.TXT
_cod_data_source_block           081205b_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1043.60(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7205060
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 1.0000 0.5000 0.5000 0.01196(16) Uani 1 2 d S . .
Mo1 Mo 0.58111(4) 0.37889(3) 0.25017(3) 0.01088(10) Uani 1 1 d . . .
Mo2 Mo 0.48849(4) 0.35266(3) -0.06347(3) 0.01239(10) Uani 1 1 d . . .
Mo3 Mo 0.47606(4) 0.07135(3) 0.13998(3) 0.01545(10) Uani 1 1 d . . .
C1 C 0.0885(5) 0.2847(4) -0.0570(4) 0.0162(8) Uani 1 1 d . . .
C2 C -0.0201(5) 0.2668(4) -0.1944(4) 0.0174(8) Uani 1 1 d . . .
C3 C 0.0199(5) 0.3583(4) -0.2648(4) 0.0154(8) Uani 1 1 d . . .
H3 H 0.1102 0.4294 -0.2220 0.018 Uiso 1 1 calc R . .
C4 C -0.1923(6) 0.2458(4) -0.4520(4) 0.0289(11) Uani 1 1 d . . .
H4 H -0.2506 0.2368 -0.5407 0.035 Uiso 1 1 calc R . .
C5 C -0.2409(7) 0.1507(5) -0.3871(5) 0.0491(16) Uani 1 1 d . . .
H5 H -0.3314 0.0804 -0.4321 0.059 Uiso 1 1 calc R . .
C6 C -0.1556(6) 0.1601(5) -0.2568(5) 0.0409(14) Uani 1 1 d . . .
H6 H -0.1871 0.0977 -0.2117 0.049 Uiso 1 1 calc R . .
C7 C 0.1764(5) 0.2992(4) 0.1523(4) 0.0139(8) Uani 1 1 d . . .
C8 C 0.1823(5) 0.2982(4) 0.2826(4) 0.0144(8) Uani 1 1 d . . .
C9 C 0.1074(5) 0.3717(4) 0.3229(4) 0.0167(8) Uani 1 1 d . . .
H9 H 0.0503 0.4176 0.2650 0.020 Uiso 1 1 calc R . .
C10 C 0.1958(5) 0.3135(4) 0.5224(4) 0.0181(8) Uani 1 1 d . . .
H10 H 0.2014 0.3188 0.6052 0.022 Uiso 1 1 calc R . .
C11 C 0.2735(6) 0.2372(4) 0.4902(4) 0.0246(10) Uani 1 1 d . . .
H11 H 0.3289 0.1919 0.5499 0.030 Uiso 1 1 calc R . .
C12 C 0.2676(5) 0.2294(4) 0.3684(4) 0.0213(9) Uani 1 1 d . . .
H12 H 0.3194 0.1794 0.3443 0.026 Uiso 1 1 calc R . .
N1 N 0.2456(4) 0.3179(3) -0.0070(3) 0.0137(7) Uani 1 1 d . . .
N2 N 0.3005(4) 0.3260(3) 0.1245(3) 0.0132(7) Uani 1 1 d . . .
N3 N 0.0402(4) 0.2725(3) 0.0414(3) 0.0153(7) Uani 1 1 d . . .
N4 N -0.1168(4) 0.2374(4) 0.0345(4) 0.0253(8) Uani 1 1 d . . .
H4A H -0.1306 0.2318 0.1038 0.030 Uiso 1 1 calc R . .
H4B H -0.1987 0.2215 -0.0390 0.030 Uiso 1 1 calc R . .
N5 N -0.0652(4) 0.3497(3) -0.3920(3) 0.0177(7) Uani 1 1 d . . .
N6 N 0.1135(4) 0.3795(3) 0.4411(3) 0.0150(7) Uani 1 1 d . . .
O1 O 0.5347(4) 0.4590(3) 0.3507(3) 0.0211(6) Uani 1 1 d . . .
O2 O 0.5702(3) 0.4897(2) 0.1145(2) 0.0133(5) Uani 1 1 d . . .
O3 O 0.5236(3) 0.2103(2) 0.2791(2) 0.0144(6) Uani 1 1 d . . .
O4 O 0.7919(3) 0.4200(3) 0.3306(2) 0.0145(6) Uani 1 1 d . . .
O5 O 0.3474(4) 0.2458(3) -0.1970(3) 0.0240(7) Uani 1 1 d . . .
O6 O 0.6635(4) 0.3860(3) -0.0818(3) 0.0239(7) Uani 1 1 d . . .
O7 O 0.5332(3) 0.2559(2) 0.0717(2) 0.0139(6) Uani 1 1 d . . .
O8 O 0.2706(4) 0.0403(3) 0.0702(3) 0.0285(7) Uani 1 1 d . . .
O9 O 0.5000 0.0000 0.0000 0.0285(10) Uani 1 2 d S . .
O10 O 0.7560(4) 0.1428(3) 0.2274(3) 0.0271(7) Uani 1 1 d . . .
H10A H 0.7849 0.1917 0.1832 0.041 Uiso 1 1 calc R . .
H10B H 0.8041 0.0894 0.2626 0.041 Uiso 1 1 d R . .
O11 O 0.5029(4) -0.0397(3) 0.2396(3) 0.0319(8) Uani 1 1 d . . .
O1W O 0.0898(6) 0.0224(5) 0.6516(6) 0.0806(17) Uani 1 1 d . . .
H1WB H 0.1274 0.1020 0.6819 0.097 Uiso 1 1 d R . .
H1WA H 0.0497 0.0037 0.5701 0.097 Uiso 1 1 d R . .
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'
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'
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'
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
O4 Co1 O4 180.0 2_766 . ?
O4 Co1 N6 91.26(11) 2_766 1_655 ?
O4 Co1 N6 88.74(11) . 1_655 ?
O4 Co1 N6 88.74(11) 2_766 2_666 ?
O4 Co1 N6 91.26(11) . 2_666 ?
N6 Co1 N6 180.00(19) 1_655 2_666 ?
O4 Co1 N5 94.02(11) 2_766 2_665 ?
O4 Co1 N5 85.98(11) . 2_665 ?
N6 Co1 N5 92.69(13) 1_655 2_665 ?
N6 Co1 N5 87.31(13) 2_666 2_665 ?
O4 Co1 N5 85.98(11) 2_766 1_656 ?
O4 Co1 N5 94.02(11) . 1_656 ?
N6 Co1 N5 87.32(12) 1_655 1_656 ?
N6 Co1 N5 92.68(13) 2_666 1_656 ?
N5 Co1 N5 179.997(1) 2_665 1_656 ?
O1 Mo1 O4 102.72(13) . . ?
O1 Mo1 O3 103.06(13) . . ?
O4 Mo1 O3 100.32(12) . . ?
O1 Mo1 O2 102.95(13) . . ?
O4 Mo1 O2 97.42(11) . . ?
O3 Mo1 O2 144.23(11) . . ?
O1 Mo1 O7 156.27(12) . . ?
O4 Mo1 O7 100.95(11) . . ?
O3 Mo1 O7 74.08(10) . . ?
O2 Mo1 O7 72.19(10) . . ?
O1 Mo1 N2 81.22(13) . . ?
O4 Mo1 N2 174.76(11) . . ?
O3 Mo1 N2 81.97(11) . . ?
O2 Mo1 N2 78.21(11) . . ?
O7 Mo1 N2 75.05(10) . . ?
O5 Mo2 O6 105.17(15) . . ?
O5 Mo2 O7 105.38(13) . . ?
O6 Mo2 O7 100.96(13) . . ?
O5 Mo2 O2 98.97(13) . 2_665 ?
O6 Mo2 O2 98.88(12) . 2_665 ?
O7 Mo2 O2 143.08(11) . 2_665 ?
O5 Mo2 O2 154.41(13) . . ?
O6 Mo2 O2 99.87(13) . . ?
O7 Mo2 O2 74.40(10) . . ?
O2 Mo2 O2 71.72(11) 2_665 . ?
O11 Mo3 O8 102.84(16) . . ?
O11 Mo3 O9 102.23(11) . . ?
O8 Mo3 O9 99.05(11) . . ?
O11 Mo3 O3 93.90(14) . . ?
O8 Mo3 O3 96.48(13) . . ?
O9 Mo3 O3 154.44(8) . . ?
O11 Mo3 O7 157.60(14) . . ?
O8 Mo3 O7 96.37(13) . . ?
O9 Mo3 O7 85.81(7) . . ?
O3 Mo3 O7 72.35(10) . . ?
O11 Mo3 O10 84.68(14) . . ?
O8 Mo3 O10 171.81(13) . . ?
O9 Mo3 O10 82.29(8) . . ?
O3 Mo3 O10 79.59(11) . . ?
O7 Mo3 O10 75.63(10) . . ?
N1 C1 N3 108.6(3) . . ?
N1 C1 C2 126.2(4) . . ?
N3 C1 C2 125.2(4) . . ?
C3 C2 C6 119.2(4) . . ?
C3 C2 C1 117.4(3) . . ?
C6 C2 C1 123.3(4) . . ?
N5 C3 C2 123.1(4) . . ?
N5 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
N5 C4 C5 122.5(4) . . ?
N5 C4 H4 118.8 . . ?
C5 C4 H4 118.8 . . ?
C6 C5 C4 120.1(5) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C2 117.5(4) . . ?
C5 C6 H6 121.2 . . ?
C2 C6 H6 121.2 . . ?
N2 C7 N3 108.7(3) . . ?
N2 C7 C8 126.1(4) . . ?
N3 C7 C8 125.2(3) . . ?
C9 C8 C12 118.9(4) . . ?
C9 C8 C7 119.7(3) . . ?
C12 C8 C7 121.4(4) . . ?
N6 C9 C8 122.9(4) . . ?
N6 C9 H9 118.5 . . ?
C8 C9 H9 118.5 . . ?
N6 C10 C11 123.3(4) . . ?
N6 C10 H10 118.4 . . ?
C11 C10 H10 118.4 . . ?
C12 C11 C10 119.1(4) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C11 C12 C8 118.2(4) . . ?
C11 C12 H12 120.9 . . ?
C8 C12 H12 120.9 . . ?
C1 N1 N2 107.7(3) . . ?
C7 N2 N1 108.6(3) . . ?
C7 N2 Mo1 133.4(3) . . ?
N1 N2 Mo1 118.0(2) . . ?
C7 N3 C1 106.5(3) . . ?
C7 N3 N4 124.3(3) . . ?
C1 N3 N4 129.2(3) . . ?
N3 N4 H4A 120.0 . . ?
N3 N4 H4B 120.0 . . ?
H4A N4 H4B 120.0 . . ?
C4 N5 C3 117.5(4) . . ?
C4 N5 Co1 120.6(3) . 1_454 ?
C3 N5 Co1 121.9(3) . 1_454 ?
C10 N6 C9 117.6(3) . . ?
C10 N6 Co1 121.1(3) . 1_455 ?
C9 N6 Co1 121.2(3) . 1_455 ?
Mo2 O2 Mo1 139.85(14) 2_665 . ?
Mo2 O2 Mo2 108.28(11) 2_665 . ?
Mo1 O2 Mo2 104.20(11) . . ?
Mo1 O3 Mo3 117.47(13) . . ?
Mo1 O4 Co1 147.85(15) . . ?
Mo2 O7 Mo3 148.70(14) . . ?
Mo2 O7 Mo1 107.98(12) . . ?
Mo3 O7 Mo1 96.07(10) . . ?
Mo3 O9 Mo3 180.0 2_655 . ?
Mo3 O10 H10A 109.5 . . ?
Mo3 O10 H10B 116.3 . . ?
H10A O10 H10B 123.3 . . ?
H1WB O1W H1WA 115.9 . . ?
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
Co1 O4 2.083(3) 2_766 ?
Co1 O4 2.083(3) . ?
Co1 N6 2.159(3) 1_655 ?
Co1 N6 2.159(3) 2_666 ?
Co1 N5 2.200(3) 2_665 ?
Co1 N5 2.200(3) 1_656 ?
Mo1 O1 1.690(3) . ?
Mo1 O4 1.754(3) . ?
Mo1 O3 1.862(3) . ?
Mo1 O2 1.993(3) . ?
Mo1 O7 2.230(3) . ?
Mo1 N2 2.359(3) . ?
Mo2 O5 1.708(3) . ?
Mo2 O6 1.708(3) . ?
Mo2 O7 1.879(3) . ?
Mo2 O2 1.987(3) 2_665 ?
Mo2 O2 2.224(3) . ?
Mo3 O11 1.695(3) . ?
Mo3 O8 1.717(3) . ?
Mo3 O9 1.8878(4) . ?
Mo3 O3 1.993(3) . ?
Mo3 O7 2.203(3) . ?
Mo3 O10 2.324(3) . ?
C1 N1 1.305(5) . ?
C1 N3 1.380(5) . ?
C1 C2 1.469(5) . ?
C2 C3 1.378(5) . ?
C2 C6 1.393(6) . ?
C3 N5 1.341(5) . ?
C3 H3 0.9300 . ?
C4 N5 1.333(6) . ?
C4 C5 1.388(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.370(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 N2 1.308(5) . ?
C7 N3 1.354(5) . ?
C7 C8 1.476(5) . ?
C8 C9 1.386(6) . ?
C8 C12 1.387(6) . ?
C9 N6 1.335(5) . ?
C9 H9 0.9300 . ?
C10 N6 1.328(5) . ?
C10 C11 1.384(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
N1 N2 1.377(4) . ?
N3 N4 1.408(5) . ?
N4 H4A 0.8600 . ?
N4 H4B 0.8600 . ?
N5 Co1 2.200(3) 1_454 ?
N6 Co1 2.159(3) 1_455 ?
O2 Mo2 1.987(3) 2_665 ?
O9 Mo3 1.8877(4) 2_655 ?
O10 H10A 0.8200 . ?
O10 H10B 0.8502 . ?
O1W H1WB 0.8500 . ?
O1W H1WA 0.8500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O1W 0.85 2.32 3.153(11) 168.9 2_556
O1W H1WB O5 0.85 2.13 2.849(6) 141.5 1_556
O10 H10B O1W 0.85 1.85 2.700(6) 176.7 2_656
O10 H10A N4 0.82 2.27 3.016(5) 152.0 1_655
N4 H4B O6 0.86 2.45 2.917(5) 114.8 1_455
N4 H4A O10 0.86 2.21 3.016(5) 155.5 1_455
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
N1 C1 C2 C3 -44.8(6) . . . . ?
N3 C1 C2 C3 133.2(4) . . . . ?
N1 C1 C2 C6 132.3(5) . . . . ?
N3 C1 C2 C6 -49.7(7) . . . . ?
C6 C2 C3 N5 -0.5(7) . . . . ?
C1 C2 C3 N5 176.8(4) . . . . ?
N5 C4 C5 C6 -1.2(10) . . . . ?
C4 C5 C6 C2 -0.6(10) . . . . ?
C3 C2 C6 C5 1.4(8) . . . . ?
C1 C2 C6 C5 -175.7(5) . . . . ?
N2 C7 C8 C9 125.2(4) . . . . ?
N3 C7 C8 C9 -54.7(6) . . . . ?
N2 C7 C8 C12 -52.0(6) . . . . ?
N3 C7 C8 C12 128.2(4) . . . . ?
C12 C8 C9 N6 0.0(6) . . . . ?
C7 C8 C9 N6 -177.2(4) . . . . ?
N6 C10 C11 C12 0.7(7) . . . . ?
C10 C11 C12 C8 -0.5(7) . . . . ?
C9 C8 C12 C11 0.2(6) . . . . ?
C7 C8 C12 C11 177.3(4) . . . . ?
N3 C1 N1 N2 0.8(4) . . . . ?
C2 C1 N1 N2 179.0(4) . . . . ?
N3 C7 N2 N1 0.5(4) . . . . ?
C8 C7 N2 N1 -179.4(3) . . . . ?
N3 C7 N2 Mo1 -178.5(2) . . . . ?
C8 C7 N2 Mo1 1.6(6) . . . . ?
C1 N1 N2 C7 -0.8(4) . . . . ?
C1 N1 N2 Mo1 178.4(2) . . . . ?
O1 Mo1 N2 C7 -37.8(4) . . . . ?
O4 Mo1 N2 C7 -176.8(11) . . . . ?
O3 Mo1 N2 C7 66.9(4) . . . . ?
O2 Mo1 N2 C7 -143.1(4) . . . . ?
O7 Mo1 N2 C7 142.5(4) . . . . ?
O1 Mo1 N2 N1 143.3(3) . . . . ?
O4 Mo1 N2 N1 4.2(14) . . . . ?
O3 Mo1 N2 N1 -112.0(3) . . . . ?
O2 Mo1 N2 N1 38.0(2) . . . . ?
O7 Mo1 N2 N1 -36.5(2) . . . . ?
N2 C7 N3 C1 0.0(4) . . . . ?
C8 C7 N3 C1 179.8(4) . . . . ?
N2 C7 N3 N4 178.9(3) . . . . ?
C8 C7 N3 N4 -1.2(6) . . . . ?
N1 C1 N3 C7 -0.5(4) . . . . ?
C2 C1 N3 C7 -178.7(4) . . . . ?
N1 C1 N3 N4 -179.4(4) . . . . ?
C2 C1 N3 N4 2.4(7) . . . . ?
C5 C4 N5 C3 2.2(7) . . . . ?
C5 C4 N5 Co1 -177.9(5) . . . 1_454 ?
C2 C3 N5 C4 -1.3(6) . . . . ?
C2 C3 N5 Co1 178.7(3) . . . 1_454 ?
C11 C10 N6 C9 -0.5(6) . . . . ?
C11 C10 N6 Co1 -178.6(3) . . . 1_455 ?
C8 C9 N6 C10 0.1(6) . . . . ?
C8 C9 N6 Co1 178.2(3) . . . 1_455 ?
O1 Mo1 O2 Mo2 -4.9(2) . . . 2_665 ?
O4 Mo1 O2 Mo2 -109.8(2) . . . 2_665 ?
O3 Mo1 O2 Mo2 130.8(2) . . . 2_665 ?
O7 Mo1 O2 Mo2 151.0(2) . . . 2_665 ?
N2 Mo1 O2 Mo2 73.1(2) . . . 2_665 ?
O1 Mo1 O2 Mo2 -148.19(13) . . . . ?
O4 Mo1 O2 Mo2 106.87(12) . . . . ?
O3 Mo1 O2 Mo2 -12.5(2) . . . . ?
O7 Mo1 O2 Mo2 7.70(10) . . . . ?
N2 Mo1 O2 Mo2 -70.19(12) . . . . ?
O5 Mo2 O2 Mo2 -72.0(3) . . . 2_665 ?
O6 Mo2 O2 Mo2 96.17(14) . . . 2_665 ?
O7 Mo2 O2 Mo2 -165.10(15) . . . 2_665 ?
O2 Mo2 O2 Mo2 0.0 2_665 . . 2_665 ?
O5 Mo2 O2 Mo1 84.1(3) . . . . ?
O6 Mo2 O2 Mo1 -107.77(14) . . . . ?
O7 Mo2 O2 Mo1 -9.04(11) . . . . ?
O2 Mo2 O2 Mo1 156.06(19) 2_665 . . . ?
O1 Mo1 O3 Mo3 157.00(15) . . . . ?
O4 Mo1 O3 Mo3 -97.21(16) . . . . ?
O2 Mo1 O3 Mo3 21.3(3) . . . . ?
O7 Mo1 O3 Mo3 1.35(13) . . . . ?
N2 Mo1 O3 Mo3 78.01(15) . . . . ?
O11 Mo3 O3 Mo1 160.56(18) . . . . ?
O8 Mo3 O3 Mo1 -96.03(17) . . . . ?
O9 Mo3 O3 Mo1 31.2(3) . . . . ?
O7 Mo3 O3 Mo1 -1.38(13) . . . . ?
O10 Mo3 O3 Mo1 76.71(15) . . . . ?
O1 Mo1 O4 Co1 13.4(3) . . . . ?
O3 Mo1 O4 Co1 -92.7(3) . . . . ?
O2 Mo1 O4 Co1 118.5(3) . . . . ?
O7 Mo1 O4 Co1 -168.3(3) . . . . ?
N2 Mo1 O4 Co1 151.8(11) . . . . ?
O4 Co1 O4 Mo1 -18(10) 2_766 . . . ?
N6 Co1 O4 Mo1 152.5(3) 1_655 . . . ?
N6 Co1 O4 Mo1 -27.5(3) 2_666 . . . ?
N5 Co1 O4 Mo1 -114.7(3) 2_665 . . . ?
N5 Co1 O4 Mo1 65.3(3) 1_656 . . . ?
O5 Mo2 O7 Mo3 -6.8(3) . . . . ?
O6 Mo2 O7 Mo3 -116.1(3) . . . . ?
O2 Mo2 O7 Mo3 122.6(3) 2_665 . . . ?
O2 Mo2 O7 Mo3 146.6(3) . . . . ?
O5 Mo2 O7 Mo1 -145.20(14) . . . . ?
O6 Mo2 O7 Mo1 105.54(14) . . . . ?
O2 Mo2 O7 Mo1 -15.8(2) 2_665 . . . ?
O2 Mo2 O7 Mo1 8.23(10) . . . . ?
O11 Mo3 O7 Mo2 166.2(3) . . . . ?
O8 Mo3 O7 Mo2 -44.7(3) . . . . ?
O9 Mo3 O7 Mo2 53.9(3) . . . . ?
O3 Mo3 O7 Mo2 -139.5(3) . . . . ?
O10 Mo3 O7 Mo2 137.0(3) . . . . ?
O11 Mo3 O7 Mo1 -53.2(4) . . . . ?
O8 Mo3 O7 Mo1 95.83(13) . . . . ?
O9 Mo3 O7 Mo1 -165.51(8) . . . . ?
O3 Mo3 O7 Mo1 1.03(10) . . . . ?
O10 Mo3 O7 Mo1 -82.41(11) . . . . ?
O1 Mo1 O7 Mo2 72.3(3) . . . . ?
O4 Mo1 O7 Mo2 -103.65(14) . . . . ?
O3 Mo1 O7 Mo2 158.61(15) . . . . ?
O2 Mo1 O7 Mo2 -9.30(12) . . . . ?
N2 Mo1 O7 Mo2 72.87(13) . . . . ?
O1 Mo1 O7 Mo3 -87.4(3) . . . . ?
O4 Mo1 O7 Mo3 96.65(11) . . . . ?
O3 Mo1 O7 Mo3 -1.09(10) . . . . ?
O2 Mo1 O7 Mo3 -169.00(13) . . . . ?
N2 Mo1 O7 Mo3 -86.83(11) . . . . ?
O11 Mo3 O9 Mo3 154(4) . . . 2_655 ?
O8 Mo3 O9 Mo3 49(4) . . . 2_655 ?
O3 Mo3 O9 Mo3 -78(4) . . . 2_655 ?
O7 Mo3 O9 Mo3 -47(4) . . . 2_655 ?
O10 Mo3 O9 Mo3 -123(4) . . . 2_655 ?
