# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 1972437'
loop_
_audit_author_name
_audit_author_address
'Jiaqi Chi'
;Changchun University of Science and Technology
China
;
_audit_update_record             
;
2020-07-08 deposited with the CCDC.	2020-07-15 downloaded from the CCDC.
;
_audit_creation_date             2020-07-06
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.05.22 svn.r1d9e7f8d for OlexSys, GUI svn.r6115)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H23.7 Co Mo4 N12 O14.85, 1.15(H2 O)'
_chemical_formula_sum            'C14 H26 Co Mo4 N12 O16'
_chemical_formula_weight         1061.16
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.734(2)
_cell_length_b                   21.779(4)
_cell_length_c                   12.503(2)
_cell_angle_alpha                90
_cell_angle_beta                 104.189(2)
_cell_angle_gamma                90
_cell_volume                     3097.6(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.127
_cell_measurement_theta_min      1.628
_shelx_estimated_absorpt_T_max   0.669
_shelx_estimated_absorpt_T_min   0.622
_exptl_absorpt_coefficient_mu    2.188
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.275
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2068
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22832
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.298
_diffrn_reflns_theta_min         1.870
_diffrn_ambient_temperature      273.15
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Quazar'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_detector       'Bruker APEX II'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6644
_reflns_number_total             7681
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  'OLEX2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2015b)'
_computing_structure_solution    'XT (Sheldrick, 2015a)'
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         7681
_refine_ls_number_restraints     77
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0239
_refine_ls_restrained_S_all      1.051
_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)+(0.0185P)²+1.1736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0536
_refine_ls_wR_factor_ref         0.0563
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Co1-H16A \\sim Co1-H16B
 with sigma of 0.02
 Co1-H4A \\sim Co1-H4B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O16) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O8) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O20) \\sim Ueq, Uanis(O21) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(N13)
\\sim Ueq, Uanis(O24) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
Uanis(O18) \\sim Ueq, Uanis(O19) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(N12) \\sim Ueq, Uanis(N14) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 C19, N14
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Fixed Sof: Mo3(0.85) Mo4(0.85) Mo5(0.85) Mo6(0.15) O8(0.15) O10(0.85)
 O11(0.85) N3(0.8) O12(0.15) H12C(0.15) H12D(0.15) O13(0.85) O14(0.85)
 O15(0.85) N11(0.8) C8(0.8) H8(0.8) C11(0.8) H11(0.8) C12(0.8) H12A(0.8)
 H12B(0.8) C13(0.8) H13A(0.8) H13B(0.8) C14(0.8) H14A(0.8) H14B(0.8) O16(0.85)
 H16A(0.85) H16B(0.85) C15(0.2) H15A(0.2) H15B(0.2) C16(0.2) H16C(0.2)
 H16D(0.2) C17(0.2) H17A(0.2) H17B(0.2) N12(0.2) C18(0.2) H18(0.2) N13(0.2)
 C19(0.2) H19(0.2) N14(0.2) N15(0.8) Mo7(0.15) Mo8(0.15) O17(0.15) O18(0.15)
 O19(0.15) O20(0.15) H20A(0.15) H20B(0.15) O21(0.85) H21A(0.85) H21B(0.85)
 O23(0.15) O22(0.15) O24(0.85)
6.a Free rotating group:
 O4(H4A,H4B), O12(H12C,H12D), O16(H16A,H16B), O20(H20A,H20B), O21(H21A,H21B)
6.b Secondary CH2 refined with riding coordinates:
 C4(H4C,H4D), C6(H6A,H6B), C9(H9A,H9B), C12(H12A,H12B), C13(H13A,H13B),
 C14(H14A,H14B), C15(H15A,H15B), C16(H16C,H16D), C17(H17A,H17B)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C7(H7), C8(H8), C10(H10), C11(H11), C18(H18), C19(H19)
6.d Fitted pentagon refined as free rotating group:
 N12(C18,N13,C19,N14)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo2 Mo 1.05530(2) 0.06910(2) -0.04487(2) 0.02284(5) Uani 1 1 d . . . . .
Mo3 Mo 1.1231(2) 0.03847(11) 0.2197(2) 0.0255(2) Uani 0.85 1 d . . P A 1
Mo4 Mo 0.77671(5) 0.06103(2) -0.05485(5) 0.02409(10) Uani 0.85 1 d . . P A 1
Mo5 Mo 0.84218(2) 0.03313(2) 0.20790(2) 0.03026(6) Uani 0.85 1 d . . P A 1
Co1 Co 0.95945(3) 0.31126(2) 0.13829(3) 0.02405(7) Uani 1 1 d D . . . .
O1 O 0.89894(13) 0.05794(8) -0.14279(12) 0.0254(3) Uani 1 1 d . . . . .
Mo6 Mo 0.92712(12) 0.13811(6) 0.12413(11) 0.0257(3) Uani 0.15 1 d . . P A 2
O2 O 1.17915(13) 0.04074(8) 0.07930(13) 0.0254(3) Uani 1 1 d . . . . .
O3 O 0.95334(13) 0.03752(7) 0.06959(12) 0.0228(3) Uani 1 1 d . . . . .
O4 O 0.98059(17) 0.40916(9) 0.15850(16) 0.0389(4) Uani 1 1 d G . . . .
H4A H 0.954161 0.437268 0.111411 0.058 Uiso 1 1 d DG U . . .
H4B H 1.024870 0.428108 0.212311 0.058 Uiso 1 1 d DG U . . .
O5 O 0.65059(15) 0.05163(9) -0.15624(15) 0.0367(4) Uani 1 1 d . . . . .
O6 O 1.00399(16) 0.01242(9) 0.28734(14) 0.0376(4) Uani 1 1 d . . . . .
O7 O 1.13355(15) 0.06541(9) -0.14500(14) 0.0350(4) Uani 1 1 d . . . . .
O8 O 0.919(3) 0.2155(19) 0.124(3) 0.035(8) Uani 0.15 1 d . U P A 2
O9 O 0.72498(16) 0.03064(10) 0.06797(15) 0.0397(4) Uani 1 1 d . . . . .
O10 O 0.7837(3) 0.13778(15) -0.0301(3) 0.0352(7) Uani 0.85 1 d . . P A 1
N1 N 0.14548(17) 0.30486(10) 0.19766(17) 0.0295(4) Uani 1 1 d . . . . .
O11 O 1.0524(4) 0.1454(2) -0.0158(4) 0.0324(8) Uani 0.85 1 d . . P B 1
N2 N 0.77819(17) 0.32330(10) 0.06956(17) 0.0300(5) Uani 1 1 d . . . . .
N3 N 0.9299(6) 0.3052(3) 0.2976(3) 0.0329(19) Uani 0.8 1 d . . P A 1
O12 O 0.7449(17) -0.0052(9) 0.2840(15) 0.022(3) Uani 0.15 1 d G . P C 2
H12C H 0.758063 0.004975 0.222695 0.033 Uiso 0.15 1 d G U P C 2
H12D H 0.799480 0.011805 0.332176 0.033 Uiso 0.15 1 d G U P C 2
O13 O 1.2433(9) 0.0129(4) 0.3145(9) 0.0425(16) Uani 0.85 1 d . . P A 1
N4 N 0.32485(16) 0.32096(10) 0.18599(17) 0.0302(5) Uani 1 1 d . . . . .
O14 O 0.8472(9) 0.1121(4) 0.2274(8) 0.047(2) Uani 0.85 1 d . . P A 1
N5 N 0.60340(17) 0.36216(11) 0.02420(17) 0.0320(5) Uani 1 1 d . . . . .
N6 N 0.98718(18) 0.31874(11) 0.97345(17) 0.0325(5) Uani 1 1 d . . . . .
N7 N 1.00312(19) 0.36557(11) 0.82396(17) 0.0339(5) Uani 1 1 d . . . . .
O15 O 1.1206(4) 0.1149(2) 0.2382(4) 0.0449(10) Uani 0.85 1 d . . P A 1
N8 N 1.0866(2) 0.32103(13) 0.84078(19) 0.0430(6) Uani 1 1 d . . . . .
N9 N 0.5961(2) 0.30972(14) -0.0346(2) 0.0495(7) Uani 1 1 d . . . . .
N10 N 0.32301(19) 0.26180(12) 0.2172(2) 0.0428(6) Uani 1 1 d . . . . .
C1 C 0.2198(2) 0.34572(13) 0.1753(2) 0.0342(6) Uani 1 1 d . . . . .
H1 H 0.200849 0.386218 0.154875 0.041 Uiso 1 1 calc R U . . .
C2 C 0.7117(2) 0.36924(13) 0.0857(2) 0.0337(6) Uani 1 1 d . . . . .
H2 H 0.737046 0.401952 0.133407 0.040 Uiso 1 1 calc R U . . .
C3 C 0.9456(2) 0.36312(14) 0.9024(2) 0.0358(6) Uani 1 1 d . . . . .
N11 N 0.9532(3) 0.31601(14) 0.4721(2) 0.0330(6) Uani 0.8 1 d . . P A 1
C4 C 0.4277(2) 0.34871(14) 0.1584(2) 0.0353(6) Uani 1 1 d . . . . .
H4C H 0.490182 0.318523 0.168386 0.042 Uiso 1 1 calc R U . . .
H4D H 0.455541 0.382633 0.208250 0.042 Uiso 1 1 calc R U . . .
C5 C 1.0733(2) 0.29400(15) 0.9312(2) 0.0412(7) Uani 1 1 d . . . . .
H5 H 1.118951 0.260832 0.963441 0.049 Uiso 1 1 calc R U . . .
C6 C 0.3991(2) 0.37166(16) 0.0414(2) 0.0416(7) Uani 1 1 d . . . . .
H6A H 0.333790 0.400174 0.030590 0.050 Uiso 1 1 calc R U . . .
H6B H 0.374947 0.337320 -0.008379 0.050 Uiso 1 1 calc R U . . .
C7 C 0.7034(2) 0.28788(14) -0.0048(2) 0.0410(7) Uani 1 1 d . . . . .
H7 H 0.726056 0.251399 -0.032341 0.049 Uiso 1 1 calc R U . . .
C8 C 0.9974(4) 0.3261(2) 0.3876(4) 0.0327(10) Uani 0.8 1 d . . P A 1
H8 H 1.068470 0.345993 0.391640 0.039 Uiso 0.8 1 calc R U P A 1
C9 C 0.5028(2) 0.40334(15) 0.0135(3) 0.0439(7) Uani 1 1 d . . . . .
H9A H 0.479511 0.418614 -0.061629 0.053 Uiso 1 1 calc R U . . .
H9B H 0.525808 0.438253 0.062123 0.053 Uiso 1 1 calc R U . . .
C10 C 0.2136(2) 0.25400(14) 0.2232(2) 0.0403(7) Uani 1 1 d . . . . .
H10 H 0.185459 0.216907 0.243216 0.048 Uiso 1 1 calc R U . . .
C11 C 0.8418(5) 0.2785(3) 0.3347(4) 0.0418(12) Uani 0.8 1 d . . P A 1
H11 H 0.779842 0.257469 0.288588 0.050 Uiso 0.8 1 calc R U P A 1
C12 C 0.9852(6) 0.4109(2) 0.7336(4) 0.0374(10) Uani 0.8 1 d . . P A 1
H12A H 1.060560 0.428398 0.731138 0.045 Uiso 0.8 1 calc R U P A 1
H12B H 0.935998 0.443978 0.748793 0.045 Uiso 0.8 1 calc R U P A 1
C13 C 1.0020(3) 0.33422(19) 0.5878(3) 0.0390(8) Uani 0.8 1 d . . P A 1
H13A H 1.081408 0.349423 0.596444 0.047 Uiso 0.8 1 calc R U P A 1
H13B H 1.005430 0.298651 0.635213 0.047 Uiso 0.8 1 calc R U P A 1
C14 C 0.9282(4) 0.3830(2) 0.6221(3) 0.0424(9) Uani 0.8 1 d . . P A 1
H14A H 0.852977 0.365503 0.624803 0.051 Uiso 0.8 1 calc R U P A 1
H14B H 0.913499 0.415291 0.566903 0.051 Uiso 0.8 1 calc R U P A 1
O16 O 0.9465(5) 0.2162(3) 0.1267(5) 0.0359(9) Uani 0.85 1 d G U P A 1
H16A H 0.948894 0.193116 0.072325 0.054 Uiso 0.85 1 d DG U P A 1
H16B H 0.932928 0.191597 0.175117 0.054 Uiso 0.85 1 d DG U P A 1
C15 C 1.0076(14) 0.3849(7) 0.6204(10) 0.036(3) Uani 0.2 1 d . . P A 2
H15A H 1.010410 0.420388 0.574193 0.043 Uiso 0.2 1 calc R U P A 2
H15B H 1.073612 0.358745 0.617245 0.043 Uiso 0.2 1 calc R U P A 2
C16 C 0.8976(13) 0.3508(8) 0.5731(11) 0.042(4) Uani 0.2 1 d . . P A 2
H16C H 0.890853 0.316712 0.621091 0.050 Uiso 0.2 1 calc R U P A 2
H16D H 0.830799 0.377716 0.568725 0.050 Uiso 0.2 1 calc R U P A 2
C17 C 1.023(2) 0.4067(14) 0.738(2) 0.045(7) Uani 0.2 1 d . U P A 2
H17A H 1.103081 0.421880 0.763184 0.054 Uiso 0.2 1 calc R U P A 2
H17B H 0.971661 0.441772 0.736277 0.054 Uiso 0.2 1 calc R U P A 2
N12 N 0.8960(9) 0.3281(5) 0.4659(8) 0.028(3) Uani 0.2 1 d G U P A 2
C18 C 0.9582(12) 0.3421(6) 0.3847(11) 0.036(5) Uani 0.2 1 d G . P A 2
H18 H 1.015081 0.372384 0.389939 0.043 Uiso 0.2 1 calc R U P A 2
N13 N 0.9181(18) 0.3016(9) 0.2942(11) 0.023(7) Uani 0.2 1 d G U P A 2
C19 C 0.8313(16) 0.2627(8) 0.3195(12) 0.036(5) Uani 0.2 1 d G U P A 2
H19 H 0.790470 0.231824 0.274425 0.043 Uiso 0.2 1 calc R U P A 2
N14 N 0.8176(11) 0.2790(6) 0.4256(12) 0.036(4) Uani 0.2 1 d G U P A 2
N15 N 0.8518(4) 0.2850(2) 0.4400(3) 0.0517(12) Uani 0.8 1 d . . P A 1
Mo7 Mo 0.7616(3) 0.04178(12) -0.0414(3) 0.0261(6) Uani 0.15 1 d . . P A 2
Mo8 Mo 1.1072(12) 0.0289(6) 0.2232(13) 0.0250(12) Uani 0.15 1 d . . P A 2
O17 O 0.868(5) 0.1099(16) 0.229(4) 0.031(7) Uani 0.15 1 d . . P A 2
O18 O 0.8050(19) 0.1246(10) -0.0046(17) 0.033(5) Uani 0.15 1 d . U P A 2
O19 O 1.028(2) 0.1369(14) -0.007(3) 0.031(6) Uani 0.15 1 d . U P A 2
O20 O 0.8457(17) 0.4932(9) 0.0377(19) 0.033(4) Uani 0.15 1 d G U P D 1
H20A H 0.797684 0.506843 0.072904 0.050 Uiso 0.15 1 d G U P D 1
H20B H 0.805718 0.468104 -0.008747 0.050 Uiso 0.15 1 d G U P D 1
O21 O 0.8691(3) 0.50839(19) 0.0371(3) 0.0510(10) Uani 0.85 1 d G U P E 2
H21A H 0.932994 0.505138 0.016872 0.077 Uiso 0.85 1 d G U P E 2
H21B H 0.815554 0.503590 -0.022001 0.077 Uiso 0.85 1 d G U P E 2
H3 H 0.886(3) 0.3896(16) 0.905(3) 0.054(10) Uiso 1 1 d . . . . .
O23 O 1.254(4) 0.028(2) 0.305(5) 0.028(6) Uani 0.15 1 d . . P A 2
O22 O 1.0805(16) 0.1147(13) 0.2087(18) 0.026(4) Uani 0.15 1 d . . P A 2
O24 O 0.7710(4) 0.0082(2) 0.3036(4) 0.0449(11) Uani 0.85 1 d . U P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Mo2 O1 1.9553(15) . ?
Mo2 O2 1.9487(15) . ?
Mo2 O3 2.3416(17) 3_755 ?
Mo2 O3 2.1890(15) . ?
Mo2 O7 1.7264(17) . ?
Mo2 O11 1.702(5) . ?
Mo2 O19 1.61(3) . ?
Mo3 O1 2.297(3) 3_755 ?
Mo3 O2 2.020(3) . ?
Mo3 O3 2.379(3) . ?
Mo3 O6 1.890(3) . ?
Mo3 O13 1.699(10) . ?
Mo3 O15 1.682(6) . ?
Mo4 O1 2.0109(17) . ?
Mo4 O2 2.3135(18) 3_755 ?
Mo4 O3 2.3232(16) . ?
Mo4 O5 1.7086(18) . ?
Mo4 O9 1.9031(19) . ?
Mo4 O10 1.698(3) . ?
Mo5 O3 2.4097(15) . ?
Mo5 O6 1.9673(19) . ?
Mo5 O7 2.327(2) 3_755 ?
Mo5 O9 1.9431(19) . ?
Mo5 O14 1.736(9) . ?
Mo5 O24 1.707(5) . ?
Co1 O4 2.1541(19) . ?
Co1 O8 2.14(4) . ?
Co1 N1 2.131(2) 1_655 ?
Co1 N2 2.106(2) . ?
Co1 N3 2.109(4) . ?
Co1 N6 2.170(2) 1_554 ?
Co1 O16 2.079(6) . ?
Co1 N13 2.132(10) . ?
O1 Mo7 2.308(4) . ?
O1 Mo8 2.135(15) 3_755 ?
Mo6 O3 2.337(2) . ?
Mo6 O8 1.69(4) . ?
Mo6 O17 1.74(4) . ?
Mo6 O18 1.90(2) . ?
Mo6 O19 2.24(3) . ?
Mo6 O22 1.919(15) . ?
O2 Mo7 2.024(4) 3_755 ?
O2 Mo8 2.182(15) . ?
O3 Mo7 2.337(4) . ?
O3 Mo8 2.299(15) . ?
O4 H4A 0.8533 . ?
O4 H4B 0.8494 . ?
O5 Mo7 1.699(4) . ?
O6 Mo8 1.648(13) . ?
O9 Mo7 1.550(4) . ?
N1 C1 1.323(3) . ?
N1 C10 1.358(3) . ?
N2 C2 1.314(3) . ?
N2 C7 1.352(3) . ?
N3 C8 1.290(6) . ?
N3 C11 1.361(5) . ?
O12 H12C 0.8484 . ?
O12 H12D 0.8496 . ?
N4 N10 1.348(3) . ?
N4 C1 1.321(3) . ?
N4 C4 1.464(3) . ?
N5 N9 1.349(3) . ?
N5 C2 1.323(3) . ?
N5 C9 1.462(3) . ?
N6 C3 1.323(3) . ?
N6 C5 1.361(3) . ?
N7 N8 1.358(3) . ?
N7 C3 1.320(3) . ?
N7 C12 1.476(5) . ?
N7 C17 1.46(3) . ?
N8 C5 1.317(4) . ?
N9 C7 1.311(3) . ?
N10 C10 1.315(3) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 H3 0.92(3) . ?
N11 C8 1.306(5) . ?
N11 C13 1.473(4) . ?
N11 N15 1.341(5) . ?
C4 H4C 0.9700 . ?
C4 H4D 0.9700 . ?
C4 C6 1.504(4) . ?
C5 H5 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C9 1.512(4) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C11 N15 1.302(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C14 1.518(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.498(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
O16 H16A 0.8514 . ?
O16 H16B 0.8514 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.48(2) . ?
C15 C17 1.52(3) . ?
C16 H16C 0.9700 . ?
C16 H16D 0.9700 . ?
C16 N12 1.424(15) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
N12 C18 1.4200 . ?
N12 N14 1.4200 . ?
C18 H18 0.9300 . ?
C18 N13 1.4200 . ?
N13 C19 1.4200 . ?
C19 H19 0.9300 . ?
C19 N14 1.4200 . ?
Mo7 O18 1.90(2) . ?
Mo8 O23 1.77(5) . ?
Mo8 O22 1.90(3) . ?
O20 H20A 0.8493 . ?
O20 H20B 0.8502 . ?
O21 H21A 0.8513 . ?
O21 H21B 0.8512 . ?

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
O1 Mo2 O3 77.93(6) . . ?
O1 Mo2 O3 77.90(6) . 3_755 ?
O2 Mo2 O1 149.48(7) . . ?
O2 Mo2 O3 77.91(6) . 3_755 ?
O2 Mo2 O3 78.46(6) . . ?
O3 Mo2 O3 76.22(6) . 3_755 ?
O7 Mo2 O1 97.14(8) . . ?
O7 Mo2 O2 97.91(8) . . ?
O7 Mo2 O3 82.63(7) . 3_755 ?
O7 Mo2 O3 158.83(8) . . ?
O11 Mo2 O1 100.96(16) . . ?
O11 Mo2 O2 100.91(17) . . ?
O11 Mo2 O3 97.15(16) . . ?
O11 Mo2 O3 173.36(16) . 3_755 ?
O11 Mo2 O7 104.01(17) . . ?
O19 Mo2 O1 94.3(10) . . ?
O19 Mo2 O2 102.7(11) . . ?
O19 Mo2 O3 85.0(9) . . ?
O19 Mo2 O7 116.0(9) . . ?
O1 Mo3 O3 71.05(9) 3_755 . ?
O2 Mo3 O1 71.70(11) . 3_755 ?
O2 Mo3 O3 72.71(10) . . ?
O6 Mo3 O1 83.86(9) . 3_755 ?
O6 Mo3 O2 146.12(15) . . ?
O6 Mo3 O3 77.42(10) . . ?
O13 Mo3 O1 88.9(3) . 3_755 ?
O13 Mo3 O2 102.9(4) . . ?
O13 Mo3 O3 159.9(3) . . ?
O13 Mo3 O6 99.7(3) . . ?
O15 Mo3 O1 163.4(2) . 3_755 ?
O15 Mo3 O2 96.6(2) . . ?
O15 Mo3 O3 94.47(17) . . ?
O15 Mo3 O6 101.3(2) . . ?
O15 Mo3 O13 105.5(3) . . ?
O1 Mo4 O2 71.51(6) . 3_755 ?
O1 Mo4 O3 73.74(6) . . ?
O2 Mo4 O3 71.67(6) 3_755 . ?
O5 Mo4 O1 101.21(8) . . ?
O5 Mo4 O2 88.18(8) . 3_755 ?
O5 Mo4 O3 159.83(8) . . ?
O5 Mo4 O9 99.63(9) . . ?
O9 Mo4 O1 147.23(8) . . ?
O9 Mo4 O2 84.22(7) . 3_755 ?
O9 Mo4 O3 77.97(7) . . ?
O10 Mo4 O1 97.11(14) . . ?
O10 Mo4 O2 164.75(13) . 3_755 ?
O10 Mo4 O3 95.72(12) . . ?
O10 Mo4 O5 104.33(13) . . ?
O10 Mo4 O9 101.88(15) . . ?
O6 Mo5 O3 75.30(6) . . ?
O6 Mo5 O7 77.07(7) . 3_755 ?
O7 Mo5 O3 70.21(6) 3_755 . ?
O9 Mo5 O3 75.11(6) . . ?
O9 Mo5 O6 146.16(7) . . ?
O9 Mo5 O7 77.77(7) . 3_755 ?
O14 Mo5 O3 93.2(3) . . ?
O14 Mo5 O6 99.3(4) . . ?
O14 Mo5 O7 163.4(3) . 3_755 ?
O14 Mo5 O9 98.4(3) . . ?
O24 Mo5 O3 163.63(19) . . ?
O24 Mo5 O6 98.67(17) . . ?
O24 Mo5 O7 93.70(18) . 3_755 ?
O24 Mo5 O9 105.20(14) . . ?
O24 Mo5 O14 102.9(4) . . ?
O4 Co1 N6 89.85(8) . 1_554 ?
O8 Co1 O4 173.2(8) . . ?
N1 Co1 O4 86.86(8) 1_655 . ?
N1 Co1 O8 98.8(8) 1_655 . ?
N1 Co1 N6 87.51(8) 1_655 1_554 ?
N1 Co1 N13 96.8(6) 1_655 . ?
N2 Co1 O4 90.02(8) . . ?
N2 Co1 O8 84.6(8) . . ?
N2 Co1 N1 174.98(9) . 1_655 ?
N2 Co1 N3 90.55(19) . . ?
N2 Co1 N6 88.55(8) . 1_554 ?
N2 Co1 N13 87.3(6) . . ?
N3 Co1 O4 89.57(18) . . ?
N3 Co1 N1 93.36(19) . 1_655 ?
N3 Co1 N6 178.9(2) . 1_554 ?
O16 Co1 O4 176.80(18) . . ?
O16 Co1 N1 90.59(18) . 1_655 ?
O16 Co1 N2 92.66(18) . . ?
O16 Co1 N3 88.7(2) . . ?
O16 Co1 N6 91.96(17) . 1_554 ?
N13 Co1 O4 92.0(5) . . ?
N13 Co1 O8 83.5(11) . . ?
Mo2 O1 Mo3 111.58(10) . 3_755 ?
Mo2 O1 Mo4 109.81(8) . . ?
Mo2 O1 Mo7 110.44(11) . . ?
Mo2 O1 Mo8 108.9(4) . 3_755 ?
Mo4 O1 Mo3 103.72(9) . 3_755 ?
Mo4 O1 Mo8 109.9(3) . 3_755 ?
Mo8 O1 Mo7 100.1(3) 3_755 . ?
O8 Mo6 O3 161.1(13) . . ?
O8 Mo6 O17 108.8(19) . . ?
O8 Mo6 O18 97.0(13) . . ?
O8 Mo6 O19 92.8(14) . . ?
O8 Mo6 O22 108.1(13) . . ?
O17 Mo6 O3 89.7(14) . . ?
O17 Mo6 O18 103.1(19) . . ?
O17 Mo6 O19 157.8(18) . . ?
O17 Mo6 O22 89(2) . . ?
O18 Mo6 O3 74.5(6) . . ?
O18 Mo6 O19 78.6(10) . . ?
O18 Mo6 O22 146.8(10) . . ?
O19 Mo6 O3 69.2(8) . . ?
O22 Mo6 O3 74.9(8) . . ?
O22 Mo6 O19 78.9(11) . . ?
Mo2 O2 Mo3 111.22(11) . . ?
Mo2 O2 Mo4 110.23(7) . 3_755 ?
Mo2 O2 Mo7 109.07(12) . 3_755 ?
Mo2 O2 Mo8 109.3(4) . . ?
Mo3 O2 Mo4 102.86(10) . 3_755 ?
Mo3 O2 Mo7 112.65(14) . 3_755 ?
Mo7 O2 Mo8 108.2(4) 3_755 . ?
Mo2 O3 Mo2 103.78(6) . 3_755 ?
Mo2 O3 Mo3 91.54(8) . . ?
Mo2 O3 Mo3 96.52(8) 3_755 . ?
Mo2 O3 Mo4 91.94(6) . . ?
Mo2 O3 Mo5 163.81(8) . . ?
Mo2 O3 Mo5 92.40(5) 3_755 . ?
Mo2 O3 Mo6 91.63(7) . . ?
Mo2 O3 Mo7 101.54(10) . . ?
Mo2 O3 Mo8 97.4(3) . . ?
Mo3 O3 Mo5 85.99(8) . . ?
Mo4 O3 Mo2 97.33(6) . 3_755 ?
Mo4 O3 Mo3 164.48(10) . . ?
Mo4 O3 Mo5 86.47(5) . . ?
Mo6 O3 Mo7 87.70(9) . . ?
Mo8 O3 Mo6 88.0(4) . . ?
Mo8 O3 Mo7 160.7(4) . . ?
Co1 O4 H4A 128.1 . . ?
Co1 O4 H4B 127.2 . . ?
H4A O4 H4B 104.3 . . ?
Mo3 O6 Mo5 115.68(13) . . ?
Mo2 O7 Mo5 114.76(9) . 3_755 ?
Mo6 O8 Co1 164.4(18) . . ?
Mo4 O9 Mo5 114.93(10) . . ?
C1 N1 Co1 123.68(17) . 1_455 ?
C1 N1 C10 102.6(2) . . ?
C10 N1 Co1 129.00(18) . 1_455 ?
C2 N2 Co1 127.61(17) . . ?
C2 N2 C7 103.3(2) . . ?
C7 N2 Co1 129.00(18) . . ?
C8 N3 Co1 126.4(4) . . ?
C8 N3 C11 102.1(3) . . ?
C11 N3 Co1 131.5(4) . . ?
H12C O12 H12D 104.6 . . ?
N10 N4 C4 122.4(2) . . ?
C1 N4 N10 109.8(2) . . ?
C1 N4 C4 127.5(2) . . ?
N9 N5 C9 121.8(2) . . ?
C2 N5 N9 109.8(2) . . ?
C2 N5 C9 128.4(3) . . ?
C3 N6 Co1 125.21(18) . 1_556 ?
C3 N6 C5 102.4(2) . . ?
C5 N6 Co1 129.59(18) . 1_556 ?
N8 N7 C12 124.0(3) . . ?
N8 N7 C17 108.2(10) . . ?
C3 N7 N8 109.7(2) . . ?
C3 N7 C12 126.3(3) . . ?
C3 N7 C17 140.6(10) . . ?
C5 N8 N7 102.7(2) . . ?
C7 N9 N5 103.0(2) . . ?
C10 N10 N4 103.0(2) . . ?
N1 C1 H1 124.7 . . ?
N4 C1 N1 110.5(2) . . ?
N4 C1 H1 124.7 . . ?
N2 C2 N5 110.1(2) . . ?
N2 C2 H2 124.9 . . ?
N5 C2 H2 124.9 . . ?
N6 C3 H3 126(2) . . ?
N7 C3 N6 110.9(2) . . ?
N7 C3 H3 123(2) . . ?
C8 N11 C13 127.8(3) . . ?
C8 N11 N15 110.0(3) . . ?
N15 N11 C13 122.2(3) . . ?
N4 C4 H4C 109.3 . . ?
N4 C4 H4D 109.3 . . ?
N4 C4 C6 111.5(2) . . ?
H4C C4 H4D 108.0 . . ?
C6 C4 H4C 109.3 . . ?
C6 C4 H4D 109.3 . . ?
N6 C5 H5 122.9 . . ?
N8 C5 N6 114.3(3) . . ?
N8 C5 H5 122.9 . . ?
C4 C6 H6A 109.2 . . ?
C4 C6 H6B 109.2 . . ?
C4 C6 C9 112.1(2) . . ?
H6A C6 H6B 107.9 . . ?
C9 C6 H6A 109.2 . . ?
C9 C6 H6B 109.2 . . ?
N2 C7 H7 123.1 . . ?
N9 C7 N2 113.8(3) . . ?
N9 C7 H7 123.1 . . ?
N3 C8 N11 111.4(4) . . ?
N3 C8 H8 124.3 . . ?
N11 C8 H8 124.3 . . ?
N5 C9 C6 112.1(2) . . ?
N5 C9 H9A 109.2 . . ?
N5 C9 H9B 109.2 . . ?
C6 C9 H9A 109.2 . . ?
C6 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
N1 C10 H10 123.0 . . ?
N10 C10 N1 114.1(3) . . ?
N10 C10 H10 123.0 . . ?
N3 C11 H11 122.9 . . ?
N15 C11 N3 114.2(4) . . ?
N15 C11 H11 122.9 . . ?
N7 C12 H12A 109.1 . . ?
N7 C12 H12B 109.1 . . ?
N7 C12 C14 112.5(4) . . ?
H12A C12 H12B 107.8 . . ?
C14 C12 H12A 109.1 . . ?
C14 C12 H12B 109.1 . . ?
N11 C13 H13A 109.4 . . ?
N11 C13 H13B 109.4 . . ?
N11 C13 C14 111.0(3) . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C12 C14 H14A 109.0 . . ?
C12 C14 H14B 109.0 . . ?
C13 C14 C12 113.0(4) . . ?
C13 C14 H14A 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
Co1 O16 H16A 128.8 . . ?
Co1 O16 H16B 126.9 . . ?
H16A O16 H16B 104.2 . . ?
H15A C15 H15B 107.5 . . ?
C16 C15 H15A 108.4 . . ?
C16 C15 H15B 108.4 . . ?
C16 C15 C17 115.5(15) . . ?
C17 C15 H15A 108.4 . . ?
C17 C15 H15B 108.4 . . ?
C15 C16 H16C 109.4 . . ?
C15 C16 H16D 109.4 . . ?
H16C C16 H16D 108.0 . . ?
N12 C16 C15 111.0(11) . . ?
N12 C16 H16C 109.4 . . ?
N12 C16 H16D 109.4 . . ?
N7 C17 C15 121(2) . . ?
N7 C17 H17A 107.0 . . ?
N7 C17 H17B 107.0 . . ?
C15 C17 H17A 107.0 . . ?
C15 C17 H17B 107.0 . . ?
H17A C17 H17B 106.8 . . ?
C18 N12 C16 135.0(11) . . ?
N14 N12 C16 117.0(11) . . ?
N14 N12 C18 108.0 . . ?
N12 C18 H18 126.0 . . ?
N13 C18 N12 108.0 . . ?
N13 C18 H18 126.0 . . ?
C18 N13 Co1 124.2(10) . . ?
C19 N13 Co1 126.8(10) . . ?
C19 N13 C18 108.0 . . ?
N13 C19 H19 126.0 . . ?
N13 C19 N14 108.0 . . ?
N14 C19 H19 126.0 . . ?
C19 N14 N12 108.0 . . ?
C11 N15 N11 102.2(3) . . ?
O1 Mo7 O3 68.44(11) . . ?
O2 Mo7 O1 71.41(13) 3_755 . ?
O2 Mo7 O3 76.60(12) 3_755 . ?
O5 Mo7 O1 90.62(16) . . ?
O5 Mo7 O2 98.65(18) . 3_755 ?
O5 Mo7 O3 159.01(19) . . ?
O5 Mo7 O18 100.9(6) . . ?
O9 Mo7 O1 152.9(2) . . ?
O9 Mo7 O2 104.65(16) . 3_755 ?
O9 Mo7 O3 84.53(17) . . ?
O9 Mo7 O5 116.3(2) . . ?
O9 Mo7 O18 92.9(7) . . ?
O18 Mo7 O1 78.9(7) . . ?
O18 Mo7 O3 74.5(6) . . ?
O1 Mo8 O2 72.0(5) 3_755 . ?
O1 Mo8 O3 75.5(5) 3_755 . ?
O2 Mo8 O3 71.6(5) . . ?
O6 Mo8 O1 95.3(5) . 3_755 ?
O6 Mo8 O2 155.0(8) . . ?
O6 Mo8 O3 84.5(6) . . ?
O6 Mo8 O23 116.4(19) . . ?
O6 Mo8 O22 97.9(12) . . ?
O23 Mo8 O2 87.5(19) . . ?
O23 Mo8 O3 159.1(19) . . ?
O23 Mo8 O22 100.3(16) . . ?
O22 Mo8 O2 83.9(10) . . ?
O22 Mo8 O3 76.2(7) . . ?
Mo6 O18 Mo7 117.1(9) . . ?
Mo2 O19 Mo6 114.0(13) . . ?
H20A O20 H20B 104.7 . . ?
H21A O21 H21B 104.3 . . ?
Mo8 O22 Mo6 115.2(12) . . ?

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
Co1 N1 C1 N4 -157.04(17) 1_455 . . . ?
Co1 N1 C10 N10 155.5(2) 1_455 . . . ?
Co1 N2 C2 N5 176.94(16) . . . . ?
Co1 N2 C7 N9 -177.1(2) . . . . ?
Co1 N3 C8 N11 178.8(4) . . . . ?
Co1 N3 C11 N15 -178.8(5) . . . . ?
Co1 N6 C3 N7 161.85(17) 1_556 . . . ?
Co1 N6 C5 N8 -160.8(2) 1_556 . . . ?
Co1 N13 C19 N14 -168.9(15) . . . . ?
O1 Mo2 O7 Mo5 -76.88(9) . . . 3_755 ?
O1 Mo2 O19 Mo6 80.3(13) . . . . ?
O1 Mo3 O6 Mo5 -93.13(12) 3_755 . . . ?
O1 Mo7 O18 Mo6 -93.0(12) . . . . ?
O1 Mo8 O22 Mo6 52(3) 3_755 . . . ?
O2 Mo2 O7 Mo5 76.50(9) . . . 3_755 ?
O2 Mo2 O19 Mo6 -74.1(13) . . . . ?
O2 Mo3 O6 Mo5 -49.7(3) . . . . ?
O2 Mo7 O18 Mo6 -59.4(18) 3_755 . . . ?
O2 Mo8 O22 Mo6 93.8(13) . . . . ?
O3 Mo2 O7 Mo5 -1.9(2) . . . 3_755 ?
O3 Mo2 O7 Mo5 -0.12(8) 3_755 . . 3_755 ?
O3 Mo2 O19 Mo6 2.8(12) . . . . ?
O3 Mo2 O19 Mo6 15(4) 3_755 . . . ?
O3 Mo3 O6 Mo5 -21.22(12) . . . . ?
O3 Mo6 O8 Co1 -81(10) . . . . ?
O3 Mo6 O18 Mo7 22.5(10) . . . . ?
O3 Mo7 O18 Mo6 -22.5(10) . . . . ?
O3 Mo8 O22 Mo6 21.3(12) . . . . ?
O5 Mo7 O18 Mo6 178.5(10) . . . . ?
O6 Mo8 O22 Mo6 -61.0(15) . . . . ?
O7 Mo2 O19 Mo6 -179.6(8) . . . . ?
O8 Mo6 O18 Mo7 -174.7(16) . . . . ?
O9 Mo7 O18 Mo6 61.0(12) . . . . ?
O11 Mo2 O7 Mo5 179.90(17) . . . 3_755 ?
N3 C11 N15 N11 -1.6(6) . . . . ?
O13 Mo3 O6 Mo5 179.0(4) . . . . ?
N4 N10 C10 N1 0.0(3) . . . . ?
N4 C4 C6 C9 177.1(2) . . . . ?
N5 N9 C7 N2 0.2(3) . . . . ?
N7 N8 C5 N6 -0.4(3) . . . . ?
N7 C12 C14 C13 -62.7(6) . . . . ?
O15 Mo3 O6 Mo5 70.9(2) . . . . ?
N8 N7 C3 N6 0.6(3) . . . . ?
N8 N7 C12 C14 73.4(5) . . . . ?
N8 N7 C17 C15 66.5(19) . . . . ?
N9 N5 C2 N2 0.5(3) . . . . ?
N9 N5 C9 C6 59.0(3) . . . . ?
N10 N4 C1 N1 -0.4(3) . . . . ?
N10 N4 C4 C6 119.6(3) . . . . ?
C1 N1 C10 N10 -0.2(3) . . . . ?
C1 N4 N10 C10 0.3(3) . . . . ?
C1 N4 C4 C6 -53.7(4) . . . . ?
C2 N2 C7 N9 0.1(3) . . . . ?
C2 N5 N9 C7 -0.4(3) . . . . ?
C2 N5 C9 C6 -123.2(3) . . . . ?
C3 N6 C5 N8 0.7(3) . . . . ?
C3 N7 N8 C5 -0.1(3) . . . . ?
C3 N7 C12 C14 -109.5(4) . . . . ?
C3 N7 C17 C15 -129.8(16) . . . . ?
N11 C13 C14 C12 -170.4(4) . . . . ?
C4 N4 N10 C10 -174.0(2) . . . . ?
C4 N4 C1 N1 173.5(2) . . . . ?
C4 C6 C9 N5 60.9(4) . . . . ?
C5 N6 C3 N7 -0.8(3) . . . . ?
C7 N2 C2 N5 -0.4(3) . . . . ?
C8 N3 C11 N15 2.6(6) . . . . ?
C8 N11 C13 C14 110.9(4) . . . . ?
C8 N11 N15 C11 -0.1(5) . . . . ?
C9 N5 N9 C7 177.8(2) . . . . ?
C9 N5 C2 N2 -177.5(2) . . . . ?
C10 N1 C1 N4 0.4(3) . . . . ?
C11 N3 C8 N11 -2.6(6) . . . . ?
C12 N7 N8 C5 177.4(3) . . . . ?
C12 N7 C3 N6 -176.9(3) . . . . ?
C13 N11 C8 N3 -178.4(5) . . . . ?
C13 N11 N15 C11 -179.9(4) . . . . ?
C15 C16 N12 C18 -18(2) . . . . ?
C15 C16 N12 N14 160.1(12) . . . . ?
C16 C15 C17 N7 48(2) . . . . ?
C16 N12 C18 N13 178.6(18) . . . . ?
C16 N12 N14 C19 -178.9(14) . . . . ?
C17 N7 N8 C5 169.0(12) . . . . ?
C17 N7 C3 N6 -163.1(17) . . . . ?
C17 C15 C16 N12 -175.2(16) . . . . ?
N12 C18 N13 Co1 169.3(15) . . . . ?
N12 C18 N13 C19 0.0 . . . . ?
C18 N12 N14 C19 0.0 . . . . ?
C18 N13 C19 N14 0.0 . . . . ?
N13 C19 N14 N12 0.0 . . . . ?
N14 N12 C18 N13 0.0 . . . . ?
N15 N11 C8 N3 1.8(6) . . . . ?
N15 N11 C13 C14 -69.3(5) . . . . ?
O17 Mo6 O8 Co1 111(9) . . . . ?
O17 Mo6 O18 Mo7 -63(2) . . . . ?
O18 Mo6 O8 Co1 -143(8) . . . . ?
O19 Mo6 O8 Co1 -64(9) . . . . ?
O19 Mo6 O18 Mo7 93.9(14) . . . . ?
O23 Mo8 O22 Mo6 -180(2) . . . . ?
O22 Mo6 O8 Co1 15(9) . . . . ?
O22 Mo6 O18 Mo7 46(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
