# 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 2022

####################################################################### 
# 
# 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_3
_audit_block_doi                 10.5517/ccdc.csd.cc28r45c
_database_code_depnum_ccdc_archive 'CCDC 2107602'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-25 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H51 Co Cr2 Mo12 N10 O51, 2(H2 O)'
_chemical_formula_sum            'C26 H55 Co Cr2 Mo12 N10 O53'
_chemical_formula_weight         2670.01
_chemical_absolute_configuration ad
_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'
Cr Cr 0.3209 0.6236 '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           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   14.751(3)
_cell_length_b                   25.890(6)
_cell_length_c                   19.146(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.347(3)
_cell_angle_gamma                90
_cell_volume                     6856(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1668
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.442
_cell_measurement_theta_min      2.369
_shelx_estimated_absorpt_T_max   0.789
_shelx_estimated_absorpt_T_min   0.698
_exptl_absorpt_coefficient_mu    2.767
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0687 before and 0.0473 after correction.
The Ratio of minimum to maximum transmission is 0.8119.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.587
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5136
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_av_unetI/netI     0.1235
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19539
_diffrn_reflns_point_group_measured_fraction_full 0.947
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.573
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.892
_reflns_Friedel_fraction_full    0.894
_reflns_Friedel_fraction_max     0.894
_reflns_number_gt                7907
_reflns_number_total             11448
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.752
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.253
_refine_ls_abs_structure_details 
;
 Flack x determined using 2555 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     937
_refine_ls_number_reflns         11448
_refine_ls_number_restraints     1146
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0656
_refine_ls_restrained_S_all      0.957
_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)+(0.0776P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1699
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O48) \\sim Ueq, Uanis(O49) \\sim Ueq, Uanis(O11) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4.a Riding coordinates:
 O1W(H1WA,H1WB), O7(H7), O11(H11), O15(H15), O19(H19), O27(H27), O30(H30),
 O34(H34), O37(H37), O48(H48), O49(H49), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
4.b Ternary CH refined with riding coordinates:
 N5(H5), N10(H10)
4.c Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B),
  C20(H20A,H20B), C21(H21A,H21B)
4.d Aromatic/amide H refined with riding coordinates:
 N2(H2), N4(H4), N7(H7A), C1(H1), C2(H2A), C3(H3), C4(H4A), C7(H7B), C14(H14),
 C22(H22), C24(H24), C25(H25), C26(H26)
;
_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
Mo1 Mo 0.26927(15) 0.62267(10) 0.34601(12) 0.0152(6) Uani 1 1 d . . . . .
Mo2 Mo 0.28413(17) 0.49469(10) 0.33976(13) 0.0139(5) Uani 1 1 d . . . . .
Mo3 Mo 0.49346(18) 0.43381(10) 0.41724(15) 0.0166(6) Uani 1 1 d . . . . .
Mo4 Mo 0.68920(17) 0.50299(11) 0.49586(15) 0.0228(6) Uani 1 1 d . . . . .
Mo5 Mo 0.67088(17) 0.63505(10) 0.50393(14) 0.0217(6) Uani 1 1 d . . . . .
Mo6 Mo 0.46037(17) 0.69361(9) 0.43113(13) 0.0169(6) Uani 1 1 d . . . . .
Mo7 Mo 0.78080(17) 0.80052(9) 0.57925(14) 0.0161(6) Uani 1 1 d . . . . .
Mo8 Mo 0.98469(16) 0.85933(10) 0.67014(13) 0.0167(6) Uani 1 1 d . . . . .
Mo9 Mo 0.99663(17) 0.98731(10) 0.67016(13) 0.0151(6) Uani 1 1 d . . . . .
Mo10 Mo 0.79252(18) 1.05495(9) 0.59886(13) 0.0150(5) Uani 1 1 d . . . . .
Mo11 Mo 0.58180(16) 0.99756(10) 0.51233(13) 0.0187(6) Uani 1 1 d . . . . .
Mo12 Mo 0.57849(15) 0.87041(9) 0.50230(13) 0.0137(5) Uani 1 1 d . . . . .
Co1 Co 0.3934(2) 0.78904(14) 0.55004(19) 0.0136(8) Uani 1 1 d . . . . .
Cr1 Cr 0.4731(3) 0.56297(18) 0.4222(3) 0.0135(10) Uani 1 1 d . . . . .
Cr2 Cr 0.7884(3) 0.93106(16) 0.5954(2) 0.0103(9) Uani 1 1 d . . . . .
O1 O 0.5071(17) 0.8492(10) 0.2121(14) 0.054(6) Uani 1 1 d . . . . .
O1W O 0.3815(13) 0.8522(8) 0.6115(11) 0.033(5) Uani 1 1 d . . . . .
H1WA H 0.411111 0.880569 0.625565 0.049 Uiso 1 1 d R U . . .
H1WB H 0.336221 0.852619 0.629465 0.049 Uiso 1 1 d R U . . .
O2 O -0.051(2) 0.7457(11) 0.3264(14) 0.070(7) Uani 1 1 d . . . . .
O3 O 0.5121(12) 0.8282(7) 0.5339(11) 0.019(3) Uani 1 1 d . . . . .
O4 O 0.4027(13) 0.7258(7) 0.4813(10) 0.024(4) Uani 1 1 d . . . . .
O5 O 0.5106(14) 0.7407(7) 0.3944(12) 0.026(4) Uani 1 1 d . . . . .
O6 O 0.5706(14) 0.6754(8) 0.5159(10) 0.024(3) Uani 1 1 d . . . . .
O7 O 0.5367(12) 0.6241(7) 0.3990(10) 0.015(3) Uani 1 1 d . . . . .
H7 H 0.540482 0.621935 0.355840 0.023 Uiso 1 1 d R U . . .
O8 O 0.7291(14) 0.6746(8) 0.4633(13) 0.034(5) Uani 1 1 d . . . . .
O9 O 0.7452(16) 0.6254(9) 0.5918(12) 0.041(5) Uani 1 1 d . . . . .
O10 O 0.7156(14) 0.5719(7) 0.4602(12) 0.025(4) Uani 1 1 d . . . . .
O11 O 0.5905(14) 0.5640(7) 0.5137(11) 0.019(3) Uani 1 1 d . U . . .
H11 H 0.576523 0.561350 0.553055 0.029 Uiso 1 1 d R U . . .
O12 O 0.7645(15) 0.5051(9) 0.5868(12) 0.038(5) Uani 1 1 d . . . . .
O13 O 0.7506(14) 0.4721(8) 0.4479(12) 0.034(4) Uani 1 1 d . . . . .
O14 O 0.6023(13) 0.4519(8) 0.5055(11) 0.023(3) Uani 1 1 d . . . . .
O15 O 0.5502(12) 0.5102(7) 0.3945(10) 0.015(3) Uani 1 1 d . . . . .
H15 H 0.552257 0.516726 0.351539 0.023 Uiso 1 1 d R U . . .
O16 O 0.5518(13) 0.3993(7) 0.3720(11) 0.025(4) Uani 1 1 d . . . . .
O17 O 0.4358(13) 0.3897(7) 0.4556(11) 0.021(4) Uani 1 1 d . . . . .
O18 O 0.3847(13) 0.4548(7) 0.3254(11) 0.019(3) Uani 1 1 d . . . . .
O19 O 0.4160(13) 0.5009(7) 0.4505(10) 0.019(3) Uani 1 1 d . . . . .
H19 H 0.412196 0.501150 0.493835 0.029 Uiso 1 1 d R U . . .
O20 O 0.2335(14) 0.4520(7) 0.3853(10) 0.025(4) Uani 1 1 d . . . . .
O21 O 0.2018(13) 0.4960(8) 0.2498(11) 0.024(4) Uani 1 1 d . . . . .
O22 O 0.2278(13) 0.5546(7) 0.3831(11) 0.019(3) Uani 1 1 d . . . . .
O23 O 0.3587(13) 0.5615(7) 0.3324(10) 0.014(3) Uani 1 1 d . . . . .
O24 O 0.1942(13) 0.6208(8) 0.2547(10) 0.021(4) Uani 1 1 d . . . . .
O25 O 0.2048(13) 0.6534(7) 0.3914(11) 0.026(4) Uani 1 1 d . . . . .
O26 O 0.3558(13) 0.6735(7) 0.3401(10) 0.017(3) Uani 1 1 d . . . . .
O27 O 0.4013(13) 0.6161(7) 0.4528(10) 0.017(3) Uani 1 1 d . . . . .
H27 H 0.397878 0.610356 0.495559 0.026 Uiso 1 1 d R U . . .
O28 O 0.5157(14) 0.8768(8) 0.4100(11) 0.028(4) Uani 1 1 d . . . . .
O29 O 0.6781(13) 0.8266(7) 0.4912(11) 0.022(3) Uani 1 1 d . . . . .
O30 O 0.7097(12) 0.8710(7) 0.6104(11) 0.016(3) Uani 1 1 d . . . . .
H30 H 0.701518 0.871781 0.652248 0.024 Uiso 1 1 d R U . . .
O31 O 0.7236(14) 0.7560(8) 0.6127(12) 0.027(4) Uani 1 1 d . . . . .
O32 O 0.8414(14) 0.7666(8) 0.5328(12) 0.029(4) Uani 1 1 d . . . . .
O33 O 0.8843(13) 0.8152(7) 0.6718(11) 0.021(3) Uani 1 1 d . . . . .
O34 O 0.8581(12) 0.8766(7) 0.5649(10) 0.016(3) Uani 1 1 d . . . . .
H34 H 0.865398 0.883939 0.523898 0.024 Uiso 1 1 d R U . . .
O35 O 1.0420(12) 0.8209(8) 0.6251(11) 0.022(4) Uani 1 1 d . . . . .
O36 O 1.0568(14) 0.8599(8) 0.7612(11) 0.024(4) Uani 1 1 d . . . . .
O37 O 0.8934(12) 0.9252(7) 0.6918(10) 0.014(3) Uani 1 1 d . . . . .
H37 H 0.876569 0.924693 0.730008 0.021 Uiso 1 1 d R U . . .
O38 O 1.0270(13) 0.9246(7) 0.6383(11) 0.019(3) Uani 1 1 d . . . . .
O39 O 1.0633(13) 0.9846(8) 0.7650(10) 0.023(4) Uani 1 1 d . . . . .
O40 O 1.0535(13) 1.0316(8) 0.6339(11) 0.027(4) Uani 1 1 d . . . . .
O41 O 0.9030(13) 1.0371(7) 0.6945(10) 0.021(3) Uani 1 1 d . . . . .
O42 O 0.8642(12) 0.9899(7) 0.5793(10) 0.017(3) Uani 1 1 d . . . . .
O43 O 0.8495(13) 1.1013(8) 0.5696(11) 0.026(4) Uani 1 1 d . . . . .
O44 O 0.7409(13) 1.0871(8) 0.6532(10) 0.026(4) Uani 1 1 d . . . . .
O45 O 0.6891(13) 1.0419(7) 0.5088(9) 0.015(3) Uani 1 1 d . . . . .
O46 O 0.5273(14) 1.0382(8) 0.5553(13) 0.035(5) Uani 1 1 d . . . . .
O47 O 0.5148(14) 1.0006(8) 0.4188(12) 0.031(4) Uani 1 1 d . . . . .
O48 O 0.7126(12) 0.9857(7) 0.6197(10) 0.014(3) Uani 1 1 d . U . . .
H48 H 0.702046 0.981091 0.660179 0.021 Uiso 1 1 d R U . . .
O49 O 0.6800(13) 0.9350(7) 0.4978(10) 0.014(3) Uani 1 1 d . U . . .
H49 H 0.701160 0.936559 0.461895 0.021 Uiso 1 1 d R U . . .
O50 O 0.5392(13) 0.9331(7) 0.5391(12) 0.023(3) Uani 1 1 d . . . . .
N1 N 0.2809(17) 0.7516(9) 0.5751(13) 0.024(4) Uani 1 1 d . . . . .
N2 N 0.2774(16) 0.7560(9) 0.6446(12) 0.023(5) Uani 1 1 d . . . . .
H2 H 0.309189 0.777454 0.678601 0.028 Uiso 1 1 calc R U . . .
N3 N 0.1775(15) 0.6963(9) 0.5867(11) 0.019(4) Uani 1 1 d . . . . .
N4 N 0.1736(16) 0.7041(10) 0.8567(13) 0.026(5) Uani 1 1 d . . . . .
H4 H 0.161511 0.700015 0.897200 0.031 Uiso 1 1 calc R U . . .
N5 N -0.0395(19) 0.7086(10) 0.4658(13) 0.036(5) Uani 1 1 d . . . . .
H5 H -0.108211 0.714623 0.456782 0.043 Uiso 1 1 calc R U . . .
N6 N 0.2962(15) 0.8216(9) 0.4487(13) 0.023(4) Uani 1 1 d . . . . .
N7 N 0.2297(15) 0.7920(9) 0.3980(12) 0.023(4) Uani 1 1 d . . . . .
H7A H 0.214251 0.760869 0.405107 0.027 Uiso 1 1 calc R U . . .
N8 N 0.2364(14) 0.8656(8) 0.3466(11) 0.015(4) Uani 1 1 d . . . . .
N9 N -0.0057(15) 0.7507(9) 0.1429(12) 0.016(4) Uani 1 1 d . . . . .
N10 N 0.3524(17) 0.9026(9) 0.2387(13) 0.031(5) Uani 1 1 d . . . . .
H10 H 0.306349 0.905404 0.187688 0.037 Uiso 1 1 calc R U . . .
C1 C 0.204(2) 0.6630(12) 0.8266(16) 0.031(6) Uani 1 1 d . . . . .
H1 H 0.215803 0.631348 0.851032 0.038 Uiso 1 1 calc R U . . .
C2 C 0.162(2) 0.7506(13) 0.8245(15) 0.032(7) Uani 1 1 d . . . . .
H2A H 0.146615 0.779251 0.847589 0.038 Uiso 1 1 calc R U . . .
C3 C 0.219(2) 0.6685(13) 0.7604(16) 0.036(7) Uani 1 1 d . . . . .
H3 H 0.242591 0.640952 0.740897 0.043 Uiso 1 1 calc R U . . .
C4 C 0.173(2) 0.7551(12) 0.7575(16) 0.030(7) Uani 1 1 d . . . . .
H4A H 0.162784 0.787226 0.734259 0.036 Uiso 1 1 calc R U . . .
C5 C 0.198(2) 0.7141(11) 0.7224(15) 0.025(5) Uani 1 1 d . . . . .
C6 C 0.2168(17) 0.7217(10) 0.6495(13) 0.013(4) Uani 1 1 d . . . . .
C7 C 0.2236(18) 0.7146(11) 0.5421(14) 0.020(5) Uani 1 1 d . . . . .
H7B H 0.215312 0.702380 0.494588 0.024 Uiso 1 1 calc R U . . .
C8 C 0.0962(17) 0.6606(10) 0.5675(15) 0.019(5) Uani 1 1 d . . . . .
H8A H 0.103291 0.638692 0.610206 0.022 Uiso 1 1 calc R U . . .
H8B H 0.098559 0.638550 0.527238 0.022 Uiso 1 1 calc R U . . .
C9 C 0.000(2) 0.6861(14) 0.5445(17) 0.036(6) Uani 1 1 d . . . . .
H9A H 0.002991 0.713785 0.579457 0.044 Uiso 1 1 calc R U . . .
H9B H -0.046767 0.661077 0.549247 0.044 Uiso 1 1 calc R U . . .
C10 C 0.000(3) 0.7616(13) 0.4580(19) 0.045(8) Uani 1 1 d . . . . .
H10A H -0.009147 0.784999 0.494636 0.054 Uiso 1 1 calc R U . . .
H10B H 0.068582 0.759292 0.466624 0.054 Uiso 1 1 calc R U . . .
C11 C -0.039(3) 0.6738(16) 0.4065(19) 0.062(10) Uani 1 1 d . . . . .
H11A H -0.070638 0.641762 0.410732 0.074 Uiso 1 1 calc R U . . .
H11B H 0.027236 0.665973 0.411459 0.074 Uiso 1 1 calc R U . . .
C12 C -0.090(3) 0.6972(17) 0.332(2) 0.073(11) Uani 1 1 d . . . . .
H12A H -0.083321 0.674564 0.293364 0.088 Uiso 1 1 calc R U . . .
H12B H -0.158013 0.700746 0.323978 0.088 Uiso 1 1 calc R U . . .
C13 C -0.051(3) 0.7811(15) 0.3832(19) 0.057(9) Uani 1 1 d . . . . .
H13A H -0.117550 0.788577 0.378184 0.068 Uiso 1 1 calc R U . . .
H13B H -0.021305 0.813162 0.376353 0.068 Uiso 1 1 calc R U . . .
C14 C 0.2985(19) 0.8657(11) 0.4162(14) 0.023(6) Uani 1 1 d . . . . .
H14 H 0.338125 0.893323 0.438780 0.028 Uiso 1 1 calc R U . . .
C15 C 0.1927(17) 0.8185(10) 0.3365(15) 0.016(4) Uani 1 1 d . . . . .
C16 C 0.2201(19) 0.9096(11) 0.2917(15) 0.023(5) Uani 1 1 d . . . . .
H16A H 0.181856 0.897284 0.242414 0.027 Uiso 1 1 calc R U . . .
H16B H 0.183559 0.936577 0.305192 0.027 Uiso 1 1 calc R U . . .
C17 C 0.310(2) 0.9311(11) 0.2898(17) 0.029(5) Uani 1 1 d . . . . .
H17A H 0.357397 0.930789 0.339977 0.035 Uiso 1 1 calc R U . . .
H17B H 0.299335 0.966804 0.273880 0.035 Uiso 1 1 calc R U . . .
C18 C 0.446(3) 0.9298(14) 0.242(2) 0.050(8) Uani 1 1 d . . . . .
H18A H 0.431880 0.965356 0.225848 0.061 Uiso 1 1 calc R U . . .
H18B H 0.490819 0.930069 0.292886 0.061 Uiso 1 1 calc R U . . .
C19 C 0.494(3) 0.9030(16) 0.192(2) 0.056(9) Uani 1 1 d . . . . .
H19A H 0.453007 0.906513 0.140437 0.068 Uiso 1 1 calc R U . . .
H19B H 0.555627 0.918926 0.199028 0.068 Uiso 1 1 calc R U . . .
C20 C 0.422(2) 0.8222(15) 0.208(2) 0.048(8) Uani 1 1 d . . . . .
H20A H 0.438927 0.786765 0.223920 0.058 Uiso 1 1 calc R U . . .
H20B H 0.378384 0.821679 0.157117 0.058 Uiso 1 1 calc R U . . .
C21 C 0.371(2) 0.8460(11) 0.257(2) 0.033(6) Uani 1 1 d . . . . .
H21A H 0.309752 0.828397 0.248184 0.040 Uiso 1 1 calc R U . . .
H21B H 0.410073 0.841961 0.308914 0.040 Uiso 1 1 calc R U . . .
C22 C 0.0453(17) 0.8240(11) 0.2195(15) 0.021(5) Uani 1 1 d . . . . .
H22 H 0.033363 0.858034 0.229328 0.025 Uiso 1 1 calc R U . . .
C23 C 0.1210(19) 0.7976(10) 0.2682(16) 0.021(5) Uani 1 1 d . . . . .
C24 C 0.133(2) 0.7456(11) 0.2512(17) 0.029(7) Uani 1 1 d . . . . .
H24 H 0.184904 0.726517 0.281758 0.034 Uiso 1 1 calc R U . . .
C25 C 0.0677(19) 0.7235(11) 0.1901(16) 0.027(6) Uani 1 1 d . . . . .
H25 H 0.074086 0.688731 0.180552 0.032 Uiso 1 1 calc R U . . .
C26 C -0.0134(19) 0.7999(10) 0.1558(15) 0.022(5) Uani 1 1 d . . . . .
H26 H -0.060354 0.819300 0.120422 0.026 Uiso 1 1 calc R U . . .
O2W O 0.2070(18) 0.8800(12) 0.6164(19) 0.092(12) Uani 1 1 d . . . . .
H2WA H 0.180831 0.901631 0.581927 0.138 Uiso 1 1 d R U . . .
H2WB H 0.169481 0.853981 0.605517 0.138 Uiso 1 1 d R U . . .
O3W O 0.475(3) 0.9382(13) 0.657(2) 0.15(2) Uani 1 1 d . . . . .
H3WA H 0.505015 0.946360 0.628188 0.224 Uiso 1 1 d R U . . .
H3WB H 0.431855 0.965470 0.646958 0.224 Uiso 1 1 d R U . . .


_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
Mo1 O22 2.071(19) . ?
Mo1 O23 2.135(17) . ?
Mo1 O24 1.714(18) . ?
Mo1 O25 1.693(18) . ?
Mo1 O26 1.864(18) . ?
Mo1 O27 2.288(18) . ?
Mo2 O18 1.904(19) . ?
Mo2 O19 2.332(18) . ?
Mo2 O20 1.730(18) . ?
Mo2 O21 1.73(2) . ?
Mo2 O22 2.065(18) . ?
Mo2 O23 2.080(18) . ?
Mo3 O14 1.941(19) . ?
Mo3 O15 2.249(18) . ?
Mo3 O16 1.675(19) . ?
Mo3 O17 1.732(18) . ?
Mo3 O18 1.999(19) . ?
Mo3 O19 2.287(18) . ?
Mo4 O10 1.997(19) . ?
Mo4 O11 2.254(19) . ?
Mo4 O12 1.71(2) . ?
Mo4 O13 1.70(2) . ?
Mo4 O14 1.89(2) . ?
Mo4 O15 2.289(17) . ?
Mo5 O6 1.888(19) . ?
Mo5 O7 2.295(18) . ?
Mo5 O8 1.69(2) . ?
Mo5 O9 1.68(2) . ?
Mo5 O10 2.048(19) . ?
Mo5 O11 2.231(19) . ?
Mo6 O4 1.706(18) . ?
Mo6 O5 1.700(19) . ?
Mo6 O6 1.914(19) . ?
Mo6 O7 2.316(18) . ?
Mo6 O26 1.953(18) . ?
Mo6 O27 2.282(18) . ?
Mo7 O29 1.95(2) . ?
Mo7 O30 2.285(19) . ?
Mo7 O31 1.681(19) . ?
Mo7 O32 1.707(19) . ?
Mo7 O33 1.933(19) . ?
Mo7 O34 2.340(18) . ?
Mo8 O33 1.879(18) . ?
Mo8 O34 2.266(17) . ?
Mo8 O35 1.720(18) . ?
Mo8 O36 1.698(19) . ?
Mo8 O37 2.298(18) . ?
Mo8 O38 1.972(19) . ?
Mo9 O37 2.349(17) . ?
Mo9 O38 1.843(18) . ?
Mo9 O39 1.739(18) . ?
Mo9 O40 1.704(18) . ?
Mo9 O41 2.058(19) . ?
Mo9 O42 2.118(17) . ?
Mo10 O41 2.036(18) . ?
Mo10 O42 2.091(19) . ?
Mo10 O43 1.671(19) . ?
Mo10 O44 1.705(19) . ?
Mo10 O45 1.893(17) . ?
Mo10 O48 2.257(18) . ?
Mo11 O45 1.975(18) . ?
Mo11 O46 1.70(2) . ?
Mo11 O47 1.72(2) . ?
Mo11 O48 2.299(17) . ?
Mo11 O49 2.253(18) . ?
Mo11 O50 1.914(19) . ?
Mo12 O3 1.713(18) . ?
Mo12 O28 1.69(2) . ?
Mo12 O29 1.926(19) . ?
Mo12 O30 2.290(18) . ?
Mo12 O49 2.265(18) . ?
Mo12 O50 1.936(19) . ?
Co1 O1W 2.057(19) . ?
Co1 O3 2.137(18) . ?
Co1 O4 2.135(18) . ?
Co1 N1 2.12(2) . ?
Co1 N6 2.14(2) . ?
Co1 N9 2.14(2) 4_565 ?
Cr1 O7 1.968(19) . ?
Cr1 O11 1.99(2) . ?
Cr1 O15 1.964(18) . ?
Cr1 O19 1.977(19) . ?
Cr1 O23 1.947(19) . ?
Cr1 O27 1.947(18) . ?
Cr2 O30 2.020(18) . ?
Cr2 O34 1.950(19) . ?
Cr2 O37 1.960(18) . ?
Cr2 O42 1.977(19) . ?
Cr2 O48 1.956(18) . ?
Cr2 O49 1.995(19) . ?
O1 C19 1.44(5) . ?
O1 C20 1.41(4) . ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8499 . ?
O2 C12 1.40(5) . ?
O2 C13 1.42(4) . ?
O7 H7 0.8499 . ?
O11 H11 0.8500 . ?
O15 H15 0.8500 . ?
O19 H19 0.8503 . ?
O27 H27 0.8502 . ?
O30 H30 0.8500 . ?
O34 H34 0.8498 . ?
O37 H37 0.8496 . ?
O48 H48 0.8498 . ?
O49 H49 0.8499 . ?
N1 N2 1.35(3) . ?
N1 C7 1.29(3) . ?
N2 H2 0.8600 . ?
N2 C6 1.29(3) . ?
N3 C6 1.31(3) . ?
N3 C7 1.35(3) . ?
N3 C8 1.46(3) . ?
N4 H4 0.8600 . ?
N4 C1 1.36(4) . ?
N4 C2 1.34(4) . ?
N5 H5 0.9800 . ?
N5 C9 1.53(4) . ?
N5 C10 1.52(4) . ?
N5 C11 1.45(4) . ?
N6 N7 1.35(3) . ?
N6 C14 1.31(3) . ?
N7 H7A 0.8600 . ?
N7 C15 1.31(3) . ?
N8 C14 1.33(3) . ?
N8 C15 1.36(3) . ?
N8 C16 1.51(3) . ?
N9 C25 1.34(3) . ?
N9 C26 1.31(3) . ?
N10 H10 0.9800 . ?
N10 C17 1.52(4) . ?
N10 C18 1.53(4) . ?
N10 C21 1.51(3) . ?
C1 H1 0.9300 . ?
C1 C3 1.36(4) . ?
C2 H2A 0.9300 . ?
C2 C4 1.35(4) . ?
C3 H3 0.9300 . ?
C3 C5 1.36(4) . ?
C4 H4A 0.9300 . ?
C4 C5 1.38(4) . ?
C5 C6 1.53(3) . ?
C7 H7B 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.49(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C13 1.46(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.49(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14 0.9300 . ?
C15 C23 1.47(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.45(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.53(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.52(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22 0.9300 . ?
C22 C23 1.36(4) . ?
C22 C26 1.38(4) . ?
C23 C24 1.41(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.35(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
O2W H2WA 0.8497 . ?
O2W H2WB 0.8501 . ?
O3W H3WA 0.8499 . ?
O3W H3WB 0.9241 . ?

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
O22 Mo1 O23 71.3(7) . . ?
O22 Mo1 O27 83.8(7) . . ?
O23 Mo1 O27 71.6(6) . . ?
O24 Mo1 O22 99.4(9) . . ?
O24 Mo1 O23 93.5(8) . . ?
O24 Mo1 O26 99.9(9) . . ?
O24 Mo1 O27 163.1(8) . . ?
O25 Mo1 O22 86.5(8) . . ?
O25 Mo1 O23 153.2(8) . . ?
O25 Mo1 O24 104.9(9) . . ?
O25 Mo1 O26 102.6(9) . . ?
O25 Mo1 O27 91.8(8) . . ?
O26 Mo1 O22 155.8(8) . . ?
O26 Mo1 O23 93.0(7) . . ?
O26 Mo1 O27 73.6(7) . . ?
O18 Mo2 O19 73.9(7) . . ?
O18 Mo2 O22 155.2(7) . . ?
O18 Mo2 O23 89.1(7) . . ?
O20 Mo2 O18 102.8(8) . . ?
O20 Mo2 O19 87.5(8) . . ?
O20 Mo2 O22 88.4(8) . . ?
O20 Mo2 O23 153.7(8) . . ?
O21 Mo2 O18 100.3(9) . . ?
O21 Mo2 O19 168.4(8) . . ?
O21 Mo2 O20 103.7(9) . . ?
O21 Mo2 O22 98.3(9) . . ?
O21 Mo2 O23 97.0(8) . . ?
O22 Mo2 O19 84.7(7) . . ?
O22 Mo2 O23 72.5(7) . . ?
O23 Mo2 O19 73.2(7) . . ?
O14 Mo3 O15 72.9(7) . . ?
O14 Mo3 O18 150.2(8) . . ?
O14 Mo3 O19 85.2(8) . . ?
O15 Mo3 O19 69.0(7) . . ?
O16 Mo3 O14 99.2(9) . . ?
O16 Mo3 O15 94.4(8) . . ?
O16 Mo3 O17 106.5(9) . . ?
O16 Mo3 O18 95.2(9) . . ?
O16 Mo3 O19 160.9(8) . . ?
O17 Mo3 O14 99.7(9) . . ?
O17 Mo3 O15 158.8(8) . . ?
O17 Mo3 O18 101.0(8) . . ?
O17 Mo3 O19 90.9(8) . . ?
O18 Mo3 O15 80.2(7) . . ?
O18 Mo3 O19 73.3(7) . . ?
O10 Mo4 O11 68.8(7) . . ?
O10 Mo4 O15 82.0(7) . . ?
O11 Mo4 O15 68.6(7) . . ?
O12 Mo4 O10 100.6(10) . . ?
O12 Mo4 O11 92.8(10) . . ?
O12 Mo4 O14 98.4(9) . . ?
O12 Mo4 O15 159.1(9) . . ?
O13 Mo4 O10 91.8(9) . . ?
O13 Mo4 O11 155.1(9) . . ?
O13 Mo4 O12 106.6(11) . . ?
O13 Mo4 O14 103.3(9) . . ?
O13 Mo4 O15 94.0(9) . . ?
O14 Mo4 O10 151.2(8) . . ?
O14 Mo4 O11 88.9(8) . . ?
O14 Mo4 O15 72.7(7) . . ?
O6 Mo5 O7 72.6(7) . . ?
O6 Mo5 O10 150.3(8) . . ?
O6 Mo5 O11 89.1(8) . . ?
O8 Mo5 O6 105.3(9) . . ?
O8 Mo5 O7 95.4(9) . . ?
O8 Mo5 O10 90.5(9) . . ?
O8 Mo5 O11 155.3(9) . . ?
O9 Mo5 O6 103.2(10) . . ?
O9 Mo5 O7 157.4(10) . . ?
O9 Mo5 O8 107.0(12) . . ?
O9 Mo5 O10 95.7(10) . . ?
O9 Mo5 O11 88.5(10) . . ?
O10 Mo5 O7 81.1(7) . . ?
O10 Mo5 O11 68.5(7) . . ?
O11 Mo5 O7 69.5(7) . . ?
O4 Mo6 O6 94.9(8) . . ?
O4 Mo6 O7 155.9(8) . . ?
O4 Mo6 O26 103.8(8) . . ?
O4 Mo6 O27 91.7(8) . . ?
O5 Mo6 O4 104.9(9) . . ?
O5 Mo6 O6 99.4(9) . . ?
O5 Mo6 O7 97.2(8) . . ?
O5 Mo6 O26 98.3(9) . . ?
O5 Mo6 O27 162.6(8) . . ?
O6 Mo6 O7 71.7(7) . . ?
O6 Mo6 O26 149.9(8) . . ?
O6 Mo6 O27 84.0(8) . . ?
O26 Mo6 O7 82.1(7) . . ?
O26 Mo6 O27 72.3(7) . . ?
O27 Mo6 O7 67.5(6) . . ?
O29 Mo7 O30 70.2(7) . . ?
O29 Mo7 O34 82.6(7) . . ?
O30 Mo7 O34 69.2(6) . . ?
O31 Mo7 O29 103.0(9) . . ?
O31 Mo7 O30 96.4(8) . . ?
O31 Mo7 O32 105.6(10) . . ?
O31 Mo7 O33 97.3(9) . . ?
O31 Mo7 O34 162.1(8) . . ?
O32 Mo7 O29 96.7(9) . . ?
O32 Mo7 O30 156.6(8) . . ?
O32 Mo7 O33 100.9(9) . . ?
O32 Mo7 O34 90.4(8) . . ?
O33 Mo7 O29 148.4(8) . . ?
O33 Mo7 O30 83.8(7) . . ?
O33 Mo7 O34 71.3(7) . . ?
O33 Mo8 O34 74.0(7) . . ?
O33 Mo8 O37 86.2(7) . . ?
O33 Mo8 O38 149.6(8) . . ?
O34 Mo8 O37 70.2(6) . . ?
O35 Mo8 O33 100.6(9) . . ?
O35 Mo8 O34 93.8(8) . . ?
O35 Mo8 O37 160.3(8) . . ?
O35 Mo8 O38 94.4(8) . . ?
O36 Mo8 O33 101.8(9) . . ?
O36 Mo8 O34 160.1(8) . . ?
O36 Mo8 O35 106.2(9) . . ?
O36 Mo8 O37 90.3(8) . . ?
O36 Mo8 O38 99.1(9) . . ?
O38 Mo8 O34 78.9(7) . . ?
O38 Mo8 O37 71.9(7) . . ?
O38 Mo9 O37 72.7(7) . . ?
O38 Mo9 O41 152.4(8) . . ?
O38 Mo9 O42 91.0(8) . . ?
O39 Mo9 O37 87.4(8) . . ?
O39 Mo9 O38 101.3(9) . . ?
O39 Mo9 O41 88.2(8) . . ?
O39 Mo9 O42 152.1(8) . . ?
O40 Mo9 O37 166.8(8) . . ?
O40 Mo9 O38 104.2(9) . . ?
O40 Mo9 O39 105.8(9) . . ?
O40 Mo9 O41 97.8(9) . . ?
O40 Mo9 O42 95.1(8) . . ?
O41 Mo9 O37 82.1(7) . . ?
O41 Mo9 O42 70.5(7) . . ?
O42 Mo9 O37 72.4(6) . . ?
O41 Mo10 O42 71.5(7) . . ?
O41 Mo10 O48 88.0(7) . . ?
O42 Mo10 O48 73.7(6) . . ?
O43 Mo10 O41 97.2(8) . . ?
O43 Mo10 O42 100.0(9) . . ?
O43 Mo10 O44 103.7(10) . . ?
O43 Mo10 O45 99.4(9) . . ?
O43 Mo10 O48 170.2(8) . . ?
O44 Mo10 O41 87.1(8) . . ?
O44 Mo10 O42 149.7(9) . . ?
O44 Mo10 O45 104.7(8) . . ?
O44 Mo10 O48 84.7(8) . . ?
O45 Mo10 O41 156.6(7) . . ?
O45 Mo10 O42 89.5(7) . . ?
O45 Mo10 O48 73.4(7) . . ?
O45 Mo11 O48 71.0(7) . . ?
O45 Mo11 O49 81.8(7) . . ?
O46 Mo11 O45 100.1(9) . . ?
O46 Mo11 O47 106.2(11) . . ?
O46 Mo11 O48 92.3(9) . . ?
O46 Mo11 O49 159.5(9) . . ?
O46 Mo11 O50 98.9(9) . . ?
O47 Mo11 O45 96.6(9) . . ?
O47 Mo11 O48 159.5(9) . . ?
O47 Mo11 O49 93.8(9) . . ?
O47 Mo11 O50 101.2(9) . . ?
O49 Mo11 O48 68.8(6) . . ?
O50 Mo11 O45 149.0(8) . . ?
O50 Mo11 O48 84.0(7) . . ?
O50 Mo11 O49 72.0(7) . . ?
O3 Mo12 O29 102.4(8) . . ?
O3 Mo12 O30 95.3(8) . . ?
O3 Mo12 O49 162.0(8) . . ?
O3 Mo12 O50 97.3(8) . . ?
O28 Mo12 O3 105.0(9) . . ?
O28 Mo12 O29 95.9(9) . . ?
O28 Mo12 O30 157.8(8) . . ?
O28 Mo12 O49 91.0(8) . . ?
O28 Mo12 O50 100.0(10) . . ?
O29 Mo12 O30 70.5(8) . . ?
O29 Mo12 O49 83.7(7) . . ?
O29 Mo12 O50 150.5(8) . . ?
O49 Mo12 O30 70.6(6) . . ?
O50 Mo12 O30 86.1(8) . . ?
O50 Mo12 O49 71.4(7) . . ?
O1W Co1 O3 86.8(8) . . ?
O1W Co1 O4 177.1(8) . . ?
O1W Co1 N1 90.2(9) . . ?
O1W Co1 N6 92.5(9) . . ?
O1W Co1 N9 94.5(8) . 4_565 ?
O3 Co1 N6 90.4(8) . . ?
O3 Co1 N9 88.8(8) . 4_565 ?
O4 Co1 O3 92.5(7) . . ?
O4 Co1 N6 84.8(8) . . ?
O4 Co1 N9 88.2(8) . 4_565 ?
N1 Co1 O3 175.5(8) . . ?
N1 Co1 O4 90.7(8) . . ?
N1 Co1 N6 93.2(9) . . ?
N1 Co1 N9 88.0(9) . 4_565 ?
N9 Co1 N6 172.9(9) 4_565 . ?
O7 Cr1 O11 81.4(8) . . ?
O7 Cr1 O19 176.7(8) . . ?
O15 Cr1 O7 97.6(8) . . ?
O15 Cr1 O11 80.7(7) . . ?
O15 Cr1 O19 81.4(8) . . ?
O19 Cr1 O11 95.3(8) . . ?
O23 Cr1 O7 98.8(7) . . ?
O23 Cr1 O11 179.5(9) . . ?
O23 Cr1 O15 98.8(7) . . ?
O23 Cr1 O19 84.5(7) . . ?
O27 Cr1 O7 81.4(7) . . ?
O27 Cr1 O11 97.0(8) . . ?
O27 Cr1 O15 177.7(8) . . ?
O27 Cr1 O19 99.4(8) . . ?
O27 Cr1 O23 83.4(7) . . ?
O34 Cr2 O30 82.9(7) . . ?
O34 Cr2 O37 84.2(7) . . ?
O34 Cr2 O42 97.1(8) . . ?
O34 Cr2 O48 176.4(8) . . ?
O34 Cr2 O49 95.2(7) . . ?
O37 Cr2 O30 96.4(7) . . ?
O37 Cr2 O42 84.4(7) . . ?
O37 Cr2 O49 178.3(8) . . ?
O42 Cr2 O30 179.2(8) . . ?
O42 Cr2 O49 97.3(8) . . ?
O48 Cr2 O30 96.8(8) . . ?
O48 Cr2 O37 99.4(8) . . ?
O48 Cr2 O42 83.2(7) . . ?
O48 Cr2 O49 81.2(7) . . ?
O49 Cr2 O30 81.9(8) . . ?
C20 O1 C19 115(3) . . ?
Co1 O1W H1WA 137.0 . . ?
Co1 O1W H1WB 118.5 . . ?
H1WA O1W H1WB 104.5 . . ?
C12 O2 C13 114(3) . . ?
Mo12 O3 Co1 162.2(11) . . ?
Mo6 O4 Co1 150.8(11) . . ?
Mo5 O6 Mo6 120.3(10) . . ?
Mo5 O7 Mo6 91.3(6) . . ?
Mo5 O7 H7 122.1 . . ?
Mo6 O7 H7 120.8 . . ?
Cr1 O7 Mo5 103.6(8) . . ?
Cr1 O7 Mo6 104.5(8) . . ?
Cr1 O7 H7 111.3 . . ?
Mo4 O10 Mo5 116.4(10) . . ?
Mo4 O11 H11 116.4 . . ?
Mo5 O11 Mo4 100.1(8) . . ?
Mo5 O11 H11 116.2 . . ?
Cr1 O11 Mo4 105.5(8) . . ?
Cr1 O11 Mo5 105.2(8) . . ?
Cr1 O11 H11 112.0 . . ?
Mo4 O14 Mo3 117.8(10) . . ?
Mo3 O15 Mo4 92.7(7) . . ?
Mo3 O15 H15 120.1 . . ?
Mo4 O15 H15 120.9 . . ?
Cr1 O15 Mo3 105.6(8) . . ?
Cr1 O15 Mo4 105.1(8) . . ?
Cr1 O15 H15 110.0 . . ?
Mo2 O18 Mo3 116.6(10) . . ?
Mo2 O19 H19 124.7 . . ?
Mo3 O19 Mo2 91.9(7) . . ?
Mo3 O19 H19 119.1 . . ?
Cr1 O19 Mo2 96.1(7) . . ?
Cr1 O19 Mo3 103.8(8) . . ?
Cr1 O19 H19 116.1 . . ?
Mo2 O22 Mo1 107.0(8) . . ?
Mo2 O23 Mo1 104.2(7) . . ?
Cr1 O23 Mo1 105.1(8) . . ?
Cr1 O23 Mo2 105.9(8) . . ?
Mo1 O26 Mo6 118.6(9) . . ?
Mo1 O27 H27 123.7 . . ?
Mo6 O27 Mo1 91.8(6) . . ?
Mo6 O27 H27 118.9 . . ?
Cr1 O27 Mo1 99.6(8) . . ?
Cr1 O27 Mo6 106.5(8) . . ?
Cr1 O27 H27 112.8 . . ?
Mo12 O29 Mo7 120.0(10) . . ?
Mo7 O30 Mo12 94.5(7) . . ?
Mo7 O30 H30 119.5 . . ?
Mo12 O30 H30 120.0 . . ?
Cr2 O30 Mo7 103.8(8) . . ?
Cr2 O30 Mo12 102.9(8) . . ?
Cr2 O30 H30 113.1 . . ?
Mo8 O33 Mo7 118.7(10) . . ?
Mo7 O34 H34 121.3 . . ?
Mo8 O34 Mo7 90.8(7) . . ?
Mo8 O34 H34 122.3 . . ?
Cr2 O34 Mo7 104.1(8) . . ?
Cr2 O34 Mo8 103.5(8) . . ?
Cr2 O34 H34 111.5 . . ?
Mo8 O37 Mo9 91.1(6) . . ?
Mo8 O37 H37 120.7 . . ?
Mo9 O37 H37 124.2 . . ?
Cr2 O37 Mo8 102.0(8) . . ?
Cr2 O37 Mo9 97.4(7) . . ?
Cr2 O37 H37 116.0 . . ?
Mo9 O38 Mo8 120.8(9) . . ?
Mo10 O41 Mo9 109.2(8) . . ?
Mo10 O42 Mo9 104.9(8) . . ?
Cr2 O42 Mo9 104.9(8) . . ?
Cr2 O42 Mo10 104.1(8) . . ?
Mo10 O45 Mo11 118.3(9) . . ?
Mo10 O48 Mo11 93.6(7) . . ?
Mo10 O48 H48 123.0 . . ?
Mo11 O48 H48 118.1 . . ?
Cr2 O48 Mo10 98.9(7) . . ?
Cr2 O48 Mo11 104.8(8) . . ?
Cr2 O48 H48 114.6 . . ?
Mo11 O49 Mo12 93.7(7) . . ?
Mo11 O49 H49 119.9 . . ?
Mo12 O49 H49 120.0 . . ?
Cr2 O49 Mo11 105.1(8) . . ?
Cr2 O49 Mo12 104.6(8) . . ?
Cr2 O49 H49 111.1 . . ?
Mo11 O50 Mo12 117.8(10) . . ?
N2 N1 Co1 119.0(17) . . ?
C7 N1 Co1 131.4(19) . . ?
C7 N1 N2 108(2) . . ?
N1 N2 H2 127.0 . . ?
C6 N2 N1 106(2) . . ?
C6 N2 H2 127.0 . . ?
C6 N3 C7 104(2) . . ?
C6 N3 C8 128(2) . . ?
C7 N3 C8 128(2) . . ?
C1 N4 H4 119.5 . . ?
C2 N4 H4 119.5 . . ?
C2 N4 C1 121(3) . . ?
C9 N5 H5 104.3 . . ?
C10 N5 H5 104.3 . . ?
C10 N5 C9 114(2) . . ?
C11 N5 H5 104.3 . . ?
C11 N5 C9 116(3) . . ?
C11 N5 C10 112(3) . . ?
N7 N6 Co1 121.1(17) . . ?
C14 N6 Co1 130.9(18) . . ?
C14 N6 N7 107(2) . . ?
N6 N7 H7A 125.7 . . ?
C15 N7 N6 109(2) . . ?
C15 N7 H7A 125.7 . . ?
C14 N8 C15 106(2) . . ?
C14 N8 C16 126(2) . . ?
C15 N8 C16 129(2) . . ?
C25 N9 Co1 118.2(18) . 4_464 ?
C26 N9 Co1 122.8(18) . 4_464 ?
C26 N9 C25 119(2) . . ?
C17 N10 H10 107.9 . . ?
C17 N10 C18 108(2) . . ?
C18 N10 H10 107.9 . . ?
C21 N10 H10 107.9 . . ?
C21 N10 C17 114(2) . . ?
C21 N10 C18 111(2) . . ?
N4 C1 H1 120.2 . . ?
C3 C1 N4 120(3) . . ?
C3 C1 H1 120.2 . . ?
N4 C2 H2A 120.8 . . ?
N4 C2 C4 118(3) . . ?
C4 C2 H2A 120.8 . . ?
C1 C3 H3 119.7 . . ?
C1 C3 C5 121(3) . . ?
C5 C3 H3 119.7 . . ?
C2 C4 H4A 118.7 . . ?
C2 C4 C5 123(3) . . ?
C5 C4 H4A 118.7 . . ?
C3 C5 C4 117(3) . . ?
C3 C5 C6 121(3) . . ?
C4 C5 C6 121(3) . . ?
N2 C6 N3 112(2) . . ?
N2 C6 C5 120(2) . . ?
N3 C6 C5 127(2) . . ?
N1 C7 N3 110(2) . . ?
N1 C7 H7B 125.1 . . ?
N3 C7 H7B 125.1 . . ?
N3 C8 H8A 108.7 . . ?
N3 C8 H8B 108.7 . . ?
N3 C8 C9 114(2) . . ?
H8A C8 H8B 107.6 . . ?
C9 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
N5 C9 H9A 108.0 . . ?
N5 C9 H9B 108.0 . . ?
C8 C9 N5 117(2) . . ?
C8 C9 H9A 108.0 . . ?
C8 C9 H9B 108.0 . . ?
H9A C9 H9B 107.3 . . ?
N5 C10 H10A 109.9 . . ?
N5 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C13 C10 N5 109(3) . . ?
C13 C10 H10A 109.9 . . ?
C13 C10 H10B 109.9 . . ?
N5 C11 H11A 109.4 . . ?
N5 C11 H11B 109.4 . . ?
N5 C11 C12 111(3) . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
O2 C12 C11 111(3) . . ?
O2 C12 H12A 109.5 . . ?
O2 C12 H12B 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
O2 C13 C10 113(3) . . ?
O2 C13 H13A 109.0 . . ?
O2 C13 H13B 109.0 . . ?
C10 C13 H13A 109.0 . . ?
C10 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
N6 C14 N8 111(2) . . ?
N6 C14 H14 124.6 . . ?
N8 C14 H14 124.6 . . ?
N7 C15 N8 108(2) . . ?
N7 C15 C23 124(2) . . ?
N8 C15 C23 128(2) . . ?
N8 C16 H16A 109.1 . . ?
N8 C16 H16B 109.1 . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 N8 112(2) . . ?
C17 C16 H16A 109.1 . . ?
C17 C16 H16B 109.1 . . ?
N10 C17 H17A 108.7 . . ?
N10 C17 H17B 108.7 . . ?
C16 C17 N10 114(2) . . ?
C16 C17 H17A 108.7 . . ?
C16 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
N10 C18 H18A 109.3 . . ?
N10 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 N10 112(3) . . ?
C19 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
O1 C19 C18 109(3) . . ?
O1 C19 H19A 109.9 . . ?
O1 C19 H19B 109.9 . . ?
C18 C19 H19A 109.9 . . ?
C18 C19 H19B 109.9 . . ?
H19A C19 H19B 108.3 . . ?
O1 C20 H20A 109.0 . . ?
O1 C20 H20B 109.0 . . ?
O1 C20 C21 113(3) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
N10 C21 C20 110(3) . . ?
N10 C21 H21A 109.7 . . ?
N10 C21 H21B 109.7 . . ?
C20 C21 H21A 109.7 . . ?
C20 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
C23 C22 H22 120.3 . . ?
C23 C22 C26 119(3) . . ?
C26 C22 H22 120.3 . . ?
C22 C23 C15 126(3) . . ?
C22 C23 C24 117(3) . . ?
C24 C23 C15 117(2) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 120(3) . . ?
C25 C24 H24 120.2 . . ?
N9 C25 C24 122(3) . . ?
N9 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
N9 C26 C22 123(3) . . ?
N9 C26 H26 118.7 . . ?
C22 C26 H26 118.7 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 98.5 . . ?

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 N2 C6 -166.7(17) . . . . ?
Co1 N1 C7 N3 167.1(19) . . . . ?
Co1 N6 N7 C15 -168.5(17) . . . . ?
Co1 N6 C14 N8 166.2(18) . . . . ?
Co1 N9 C25 C24 -178(2) 4_464 . . . ?
Co1 N9 C26 C22 173(2) 4_464 . . . ?
O1 C20 C21 N10 53(4) . . . . ?
O5 Mo6 O4 Co1 -34(2) . . . . ?
O6 Mo6 O4 Co1 67(2) . . . . ?
O7 Mo5 O6 Mo6 -18.7(10) . . . . ?
O7 Mo6 O4 Co1 121(2) . . . . ?
O8 Mo5 O6 Mo6 72.2(14) . . . . ?
O9 Mo5 O6 Mo6 -175.7(12) . . . . ?
O10 Mo4 O14 Mo3 47(2) . . . . ?
O10 Mo5 O6 Mo6 -48(2) . . . . ?
O11 Mo4 O14 Mo3 85.3(11) . . . . ?
O11 Mo5 O6 Mo6 -87.5(12) . . . . ?
O12 Mo4 O14 Mo3 177.9(12) . . . . ?
O13 Mo4 O14 Mo3 -72.7(13) . . . . ?
O15 Mo4 O14 Mo3 17.3(9) . . . . ?
O22 Mo1 O26 Mo6 -39(2) . . . . ?
O23 Mo1 O26 Mo6 -86.9(10) . . . . ?
O24 Mo1 O26 Mo6 179.0(10) . . . . ?
O25 Mo1 O26 Mo6 71.1(12) . . . . ?
O26 Mo6 O4 Co1 -137(2) . . . . ?
O27 Mo1 O26 Mo6 -17.1(9) . . . . ?
O27 Mo6 O4 Co1 151(2) . . . . ?
O28 Mo12 O3 Co1 -40(4) . . . . ?
O29 Mo12 O3 Co1 -140(4) . . . . ?
O30 Mo12 O3 Co1 149(4) . . . . ?
O34 Mo8 O33 Mo7 20.8(9) . . . . ?
O35 Mo8 O33 Mo7 -70.1(12) . . . . ?
O36 Mo8 O33 Mo7 -179.3(11) . . . . ?
O37 Mo8 O33 Mo7 91.2(11) . . . . ?
O37 Mo9 O38 Mo8 -16.9(9) . . . . ?
O38 Mo8 O33 Mo7 48(2) . . . . ?
O39 Mo9 O38 Mo8 66.7(12) . . . . ?
O40 Mo9 O38 Mo8 176.4(11) . . . . ?
O41 Mo9 O38 Mo8 -42(2) . . . . ?
O41 Mo10 O45 Mo11 55(2) . . . . ?
O42 Mo9 O38 Mo8 -88.1(11) . . . . ?
O42 Mo10 O45 Mo11 90.2(10) . . . . ?
O43 Mo10 O45 Mo11 -169.7(10) . . . . ?
O44 Mo10 O45 Mo11 -62.8(12) . . . . ?
O48 Mo10 O45 Mo11 17.0(9) . . . . ?
O49 Mo12 O3 Co1 112(4) . . . . ?
O50 Mo12 O3 Co1 63(4) . . . . ?
N1 N2 C6 N3 -2(3) . . . . ?
N1 N2 C6 C5 177(2) . . . . ?
N2 N1 C7 N3 4(3) . . . . ?
N3 C8 C9 N5 77(3) . . . . ?
N4 C1 C3 C5 -3(5) . . . . ?
N4 C2 C4 C5 -2(5) . . . . ?
N5 C10 C13 O2 -52(4) . . . . ?
N5 C11 C12 O2 54(5) . . . . ?
N6 N7 C15 N8 1(3) . . . . ?
N6 N7 C15 C23 177(2) . . . . ?
N7 N6 C14 N8 0(3) . . . . ?
N7 C15 C23 C22 143(3) . . . . ?
N7 C15 C23 C24 -38(4) . . . . ?
N8 C15 C23 C22 -41(4) . . . . ?
N8 C15 C23 C24 138(3) . . . . ?
N8 C16 C17 N10 85(3) . . . . ?
N10 C18 C19 O1 -54(4) . . . . ?
C1 N4 C2 C4 6(4) . . . . ?
C1 C3 C5 C4 7(5) . . . . ?
C1 C3 C5 C6 178(3) . . . . ?
C2 N4 C1 C3 -4(4) . . . . ?
C2 C4 C5 C3 -5(5) . . . . ?
C2 C4 C5 C6 -175(3) . . . . ?
C3 C5 C6 N2 -118(3) . . . . ?
C3 C5 C6 N3 62(4) . . . . ?
C4 C5 C6 N2 53(4) . . . . ?
C4 C5 C6 N3 -127(3) . . . . ?
C6 N3 C7 N1 -5(3) . . . . ?
C6 N3 C8 C9 80(3) . . . . ?
C7 N1 N2 C6 -1(3) . . . . ?
C7 N3 C6 N2 4(3) . . . . ?
C7 N3 C6 C5 -175(2) . . . . ?
C7 N3 C8 C9 -93(3) . . . . ?
C8 N3 C6 N2 -170(2) . . . . ?
C8 N3 C6 C5 10(4) . . . . ?
C8 N3 C7 N1 169(2) . . . . ?
C9 N5 C10 C13 -173(3) . . . . ?
C9 N5 C11 C12 173(3) . . . . ?
C10 N5 C9 C8 -82(4) . . . . ?
C10 N5 C11 C12 -53(4) . . . . ?
C11 N5 C9 C8 51(4) . . . . ?
C11 N5 C10 C13 52(4) . . . . ?
C12 O2 C13 C10 57(5) . . . . ?
C13 O2 C12 C11 -56(5) . . . . ?
C14 N6 N7 C15 0(3) . . . . ?
C14 N8 C15 N7 -1(3) . . . . ?
C14 N8 C15 C23 -177(3) . . . . ?
C14 N8 C16 C17 47(4) . . . . ?
C15 N8 C14 N6 1(3) . . . . ?
C15 N8 C16 C17 -133(3) . . . . ?
C15 C23 C24 C25 178(3) . . . . ?
C16 N8 C14 N6 -179(2) . . . . ?
C16 N8 C15 N7 179(2) . . . . ?
C16 N8 C15 C23 3(4) . . . . ?
C17 N10 C18 C19 179(3) . . . . ?
C17 N10 C21 C20 -174(3) . . . . ?
C18 N10 C17 C16 179(3) . . . . ?
C18 N10 C21 C20 -52(3) . . . . ?
C19 O1 C20 C21 -57(4) . . . . ?
C20 O1 C19 C18 56(4) . . . . ?
C21 N10 C17 C16 -57(3) . . . . ?
C21 N10 C18 C19 54(4) . . . . ?
C22 C23 C24 C25 -3(5) . . . . ?
C23 C22 C26 N9 7(4) . . . . ?
C23 C24 C25 N9 3(5) . . . . ?
C25 N9 C26 C22 -6(4) . . . . ?
C26 N9 C25 C24 1(4) . . . . ?
C26 C22 C23 C15 177(3) . . . . ?
C26 C22 C23 C24 -2(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_4
_audit_block_doi                 10.5517/ccdc.csd.cc28wgtg
_database_code_depnum_ccdc_archive 'CCDC 2111776'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-25 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H26 Cr Mo6 N5 Ni O26, 4.5(H2 O)'
_chemical_formula_sum            'C13 H35 Cr Mo6 N5 Ni O30.50'
_chemical_formula_weight         1435.81
_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'
Cr Cr 0.3209 0.6236 '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'
Ni Ni 0.3393 1.1124 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5532(5)
_cell_length_b                   13.0752(5)
_cell_length_c                   13.5524(6)
_cell_angle_alpha                104.7480(10)
_cell_angle_beta                 117.5640(10)
_cell_angle_gamma                92.4810(10)
_cell_volume                     1873.01(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4695
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      28.277
_cell_measurement_theta_min      2.328
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.820
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0485 before and 0.0283 after correction.
The Ratio of minimum to maximum transmission is 0.8835.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.546
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13874
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.281
_diffrn_reflns_theta_min         1.842
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7070
_reflns_number_total             9216
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.469
_refine_diff_density_min         -1.114
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         9216
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0351
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0373P)²+2.0840P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0844
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O6W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O5W(0.5) H5WA(0.5) H5WB(0.5) O6W(0.5) H6WA(0.5) H6WB(0.5) O7W(0.5)
 H7WA(0.5) H7WB(0.5)
4.a Riding coordinates:
 O1W(H1WA,H1WB), O6(H6), O7(H7), O8(H8), O21(H21), O22(H22), O23(H23),
 O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB), O6W(H6WA,H6WB),
  O7W(H7WA,H7WB)
4.b Ternary CH refined with riding coordinates:
 N5(H5)
4.c Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
4.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7A)
;
_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
Mo1 Mo 0.42756(4) 1.19350(3) 1.15685(3) 0.01768(9) Uani 1 1 d . . . . .
Mo2 Mo 0.22808(4) 1.07570(3) 0.87159(4) 0.01981(9) Uani 1 1 d . . . . .
Mo3 Mo 0.30777(3) 0.89007(3) 0.71297(3) 0.01695(9) Uani 1 1 d . . . . .
Mo4 Mo 0.23915(3) 0.53392(3) 0.79922(3) 0.01874(9) Uani 1 1 d . . . . .
Mo5 Mo 0.36700(4) 0.33379(3) 0.72325(3) 0.01970(9) Uani 1 1 d . . . . .
Mo6 Mo 0.36152(4) 0.69271(3) 1.07439(4) 0.01784(9) Uani 1 1 d . . . . .
Ni1 Ni 0.13915(5) 0.60890(4) 0.52986(5) 0.01541(12) Uani 1 1 d . . . . .
Cr1 Cr 0.500000 1.000000 1.000000 0.0141(2) Uani 1 2 d S . P . .
Cr2 Cr 0.500000 0.500000 1.000000 0.0140(2) Uani 1 2 d S . P . .
O1 O 0.1688(3) 1.1357(3) 0.7664(3) 0.0355(9) Uani 1 1 d . . . . .
O1W O 0.0516(3) 0.6746(3) 0.3924(3) 0.0353(9) Uani 1 1 d . . . . .
H1WA H 0.033811 0.735913 0.417904 0.053 Uiso 1 1 d R U . . .
H1WB H -0.020079 0.635803 0.339294 0.053 Uiso 1 1 d R U . . .
O2 O 0.1184(3) 1.0626(3) 0.9111(3) 0.0336(9) Uani 1 1 d . . . . .
O3 O 0.3432(3) 1.2018(2) 0.9974(3) 0.0213(7) Uani 1 1 d . . . . .
O4 O 0.3075(3) 1.1816(3) 1.1822(3) 0.0312(8) Uani 1 1 d . . . . .
O5 O 0.4962(3) 1.3262(3) 1.2238(3) 0.0275(8) Uani 1 1 d . . . . .
O6 O 0.5758(3) 1.1475(2) 1.1112(3) 0.0159(6) Uani 1 1 d . . . . .
H6 H 0.607318 1.188659 1.088386 0.024 Uiso 1 1 d R U . . .
O7 O 0.3622(3) 1.0208(2) 1.0300(3) 0.0173(6) Uani 1 1 d . . . . .
H7 H 0.337912 0.969007 1.046300 0.026 Uiso 1 1 d R U . . .
O8 O 0.4019(3) 1.0440(2) 0.8600(3) 0.0166(6) Uani 1 1 d . . . . .
H8 H 0.444060 1.092055 0.853560 0.025 Uiso 1 1 d R U . . .
O9 O 0.2027(3) 0.9285(2) 0.7803(3) 0.0211(7) Uani 1 1 d . . . . .
O10 O 0.2637(3) 0.9549(3) 0.6116(3) 0.0315(8) Uani 1 1 d . . . . .
O11 O 0.4677(3) 0.8757(2) 0.7330(3) 0.0191(7) Uani 1 1 d . . . . .
O12 O 0.3182(3) 0.6762(2) 0.9113(3) 0.0204(7) Uani 1 1 d . . . . .
O13 O 0.1000(3) 0.5268(3) 0.7923(3) 0.0332(9) Uani 1 1 d . . . . .
O14 O 0.3391(3) 0.3682(3) 0.6019(3) 0.0332(9) Uani 1 1 d . . . . .
O15 O 0.2219(3) 0.5639(3) 0.6769(3) 0.0240(7) Uani 1 1 d . . . . .
O16 O 0.2347(3) 0.3813(3) 0.7486(3) 0.0236(7) Uani 1 1 d . . . . .
O17 O 0.3200(3) 0.1983(3) 0.6740(3) 0.0368(9) Uani 1 1 d . . . . .
O18 O 0.5436(3) 0.3424(3) 0.7885(3) 0.0218(7) Uani 1 1 d . . . . .
O19 O 0.4097(3) 0.8302(3) 1.1193(3) 0.0272(8) Uani 1 1 d . . . . .
O20 O 0.2206(3) 0.6737(3) 1.0631(3) 0.0299(8) Uani 1 1 d . . . . .
O21 O 0.4324(3) 0.5122(2) 0.8421(3) 0.0164(6) Uani 1 1 d . . . . .
H21 H 0.479230 0.555795 0.835718 0.025 Uiso 1 1 d R U . . .
O22 O 0.5458(3) 0.6573(2) 1.0809(3) 0.0177(6) Uani 1 1 d . . . . .
H22 H 0.582907 0.692338 1.057294 0.027 Uiso 1 1 d R U . . .
O23 O 0.3369(3) 0.5168(2) 0.9808(3) 0.0169(6) Uani 1 1 d . . . . .
H23 H 0.306107 0.469851 0.998477 0.025 Uiso 1 1 d R U . . .
O24 O 0.3751(5) -0.1178(4) 0.3794(4) 0.0578(13) Uani 1 1 d . . . . .
O25 O 0.2309(3) 0.7592(3) 0.6348(3) 0.0231(7) Uani 1 1 d . . . . .
N1 N 0.2651(4) 0.5753(3) 0.4720(4) 0.0228(9) Uani 1 1 d . . . . .
N2 N 0.0767(3) 0.4488(3) 0.4377(3) 0.0174(8) Uani 1 1 d . . . . .
N3 N -0.0040(3) 0.3681(3) 0.4280(3) 0.0201(8) Uani 1 1 d . . . . .
N4 N 0.1100(4) 0.2962(3) 0.3583(4) 0.0229(9) Uani 1 1 d . . . . .
N5 N 0.2155(4) 0.0310(3) 0.3154(4) 0.0316(10) Uani 1 1 d . . . . .
H5 H 0.188729 0.014960 0.231807 0.038 Uiso 1 1 calc R U . . .
C1 C 0.3513(5) 0.6482(4) 0.4831(5) 0.0303(12) Uani 1 1 d . . . . .
H1 H 0.367596 0.717876 0.532213 0.036 Uiso 1 1 calc R U . . .
C2 C 0.4166(5) 0.6248(5) 0.4254(6) 0.0406(15) Uani 1 1 d . . . . .
H2 H 0.474754 0.677935 0.434092 0.049 Uiso 1 1 calc R U . . .
C3 C 0.3951(6) 0.5215(5) 0.3545(6) 0.0463(16) Uani 1 1 d . . . . .
H3 H 0.439340 0.503523 0.315388 0.056 Uiso 1 1 calc R U . . .
C4 C 0.3073(5) 0.4451(4) 0.3422(5) 0.0318(12) Uani 1 1 d . . . . .
H4 H 0.290470 0.374815 0.294021 0.038 Uiso 1 1 calc R U . . .
C5 C 0.2449(4) 0.4744(4) 0.4023(4) 0.0202(9) Uani 1 1 d . . . . .
C6 C 0.1451(4) 0.4045(3) 0.3966(4) 0.0173(9) Uani 1 1 d . . . . .
C7 C 0.0172(5) 0.2780(4) 0.3794(5) 0.0288(12) Uani 1 1 d . . . . .
H7A H -0.025841 0.210245 0.361605 0.035 Uiso 1 1 calc R U . . .
C8 C 0.1683(6) 0.2143(4) 0.3174(6) 0.0375(14) Uani 1 1 d . . . . .
H8A H 0.255226 0.241803 0.354182 0.045 Uiso 1 1 calc R U . . .
H8B H 0.133985 0.197286 0.233383 0.045 Uiso 1 1 calc R U . . .
C9 C 0.1487(5) 0.1139(4) 0.3468(6) 0.0378(14) Uani 1 1 d . . . . .
H9A H 0.176426 0.132615 0.429970 0.045 Uiso 1 1 calc R U . . .
H9B H 0.061888 0.083776 0.304991 0.045 Uiso 1 1 calc R U . . .
C10 C 0.3500(5) 0.0638(5) 0.3812(5) 0.0391(14) Uani 1 1 d . . . . .
H10A H 0.377903 0.086114 0.464550 0.047 Uiso 1 1 calc R U . . .
H10B H 0.373905 0.124703 0.362424 0.047 Uiso 1 1 calc R U . . .
C11 C 0.4091(6) -0.0275(5) 0.3513(6) 0.0492(17) Uani 1 1 d . . . . .
H11A H 0.383548 -0.048267 0.268425 0.059 Uiso 1 1 calc R U . . .
H11B H 0.497374 -0.004705 0.394838 0.059 Uiso 1 1 calc R U . . .
C12 C 0.2499(6) -0.1551(5) 0.3128(7) 0.0518(17) Uani 1 1 d . . . . .
H12A H 0.228834 -0.217444 0.331147 0.062 Uiso 1 1 calc R U . . .
H12B H 0.226796 -0.177737 0.230508 0.062 Uiso 1 1 calc R U . . .
C13 C 0.1778(6) -0.0694(5) 0.3349(6) 0.0453(15) Uani 1 1 d . . . . .
H13A H 0.090936 -0.096584 0.282426 0.054 Uiso 1 1 calc R U . . .
H13B H 0.192721 -0.052874 0.414691 0.054 Uiso 1 1 calc R U . . .
O2W O 0.0312(5) 1.1222(7) 0.5267(5) 0.124(3) Uani 1 1 d . . . . .
H2WA H 0.093916 1.109754 0.581001 0.186 Uiso 1 1 d R U . . .
H2WB H -0.028014 1.077345 0.514531 0.186 Uiso 1 1 d R U . . .
O3W O 0.7950(6) 0.6266(4) 0.9912(7) 0.108(3) Uani 1 1 d . . . . .
H3WA H 0.872692 0.637047 1.026977 0.162 Uiso 1 1 d R U . . .
H3WB H 0.775122 0.687377 1.017617 0.162 Uiso 1 1 d R U . . .
O4W O 0.1380(5) 0.9610(4) 1.0816(4) 0.0820(18) Uani 1 1 d . . . . .
H4WA H 0.056996 0.943115 1.051870 0.123 Uiso 1 1 d R U . . .
H4WB H 0.141476 1.002074 1.043121 0.123 Uiso 1 1 d R U . . .
O5W O 0.1098(11) 0.8072(9) 0.8851(10) 0.084(4) Uani 0.5 1 d . . P . .
H5WA H 0.151106 0.757234 0.895503 0.126 Uiso 0.5 1 d R U P . .
H5WB H 0.149216 0.850794 0.871133 0.126 Uiso 0.5 1 d R U P . .
O6W O -0.0209(12) 0.7193(16) 0.9311(14) 0.156(6) Uani 0.5 1 d . U P . .
H6WA H 0.047248 0.706157 0.937173 0.234 Uiso 0.5 1 d R U P . .
H6WB H 0.003878 0.772737 0.994983 0.234 Uiso 0.5 1 d R U P . .
O7W O 0.0606(9) -0.4000(10) 0.1613(11) 0.098(4) Uani 0.5 1 d . . P . .
H7WA H 0.066832 -0.464061 0.166315 0.146 Uiso 0.5 1 d R U P . .
H7WB H 0.095572 -0.386311 0.123265 0.146 Uiso 0.5 1 d R U P . .


_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
Mo1 O3 1.953(3) . ?
Mo1 O4 1.703(3) . ?
Mo1 O5 1.710(3) . ?
Mo1 O6 2.275(3) . ?
Mo1 O7 2.299(3) . ?
Mo1 O11 1.937(3) 2_677 ?
Mo2 O1 1.685(4) . ?
Mo2 O2 1.710(3) . ?
Mo2 O3 1.948(3) . ?
Mo2 O7 2.346(3) . ?
Mo2 O8 2.307(3) . ?
Mo2 O9 1.925(3) . ?
Mo3 O6 2.343(3) 2_677 ?
Mo3 O8 2.234(3) . ?
Mo3 O9 1.939(3) . ?
Mo3 O10 1.686(3) . ?
Mo3 O11 1.922(3) . ?
Mo3 O25 1.723(3) . ?
Mo4 O12 1.939(3) . ?
Mo4 O13 1.702(3) . ?
Mo4 O15 1.719(3) . ?
Mo4 O16 1.927(3) . ?
Mo4 O21 2.267(3) . ?
Mo4 O23 2.263(3) . ?
Mo5 O14 1.699(4) . ?
Mo5 O16 1.941(3) . ?
Mo5 O17 1.695(4) . ?
Mo5 O18 1.955(3) . ?
Mo5 O21 2.325(3) . ?
Mo5 O22 2.324(3) 2_667 ?
Mo6 O12 1.965(3) . ?
Mo6 O18 1.875(3) 2_667 ?
Mo6 O19 1.725(3) . ?
Mo6 O20 1.704(3) . ?
Mo6 O22 2.345(3) . ?
Mo6 O23 2.255(3) . ?
Ni1 O1W 2.103(4) . ?
Ni1 O15 2.032(3) . ?
Ni1 O25 2.019(3) . ?
Ni1 N1 2.083(4) . ?
Ni1 N2 2.044(4) . ?
Ni1 N3 2.037(4) 2_566 ?
Cr1 O6 1.982(3) . ?
Cr1 O6 1.982(3) 2_677 ?
Cr1 O7 1.966(3) . ?
Cr1 O7 1.966(3) 2_677 ?
Cr1 O8 1.976(3) . ?
Cr1 O8 1.976(3) 2_677 ?
Cr2 O21 1.956(3) 2_667 ?
Cr2 O21 1.956(3) . ?
Cr2 O22 1.982(3) 2_667 ?
Cr2 O22 1.982(3) . ?
Cr2 O23 1.971(3) 2_667 ?
Cr2 O23 1.971(3) . ?
O1W H1WA 0.8705 . ?
O1W H1WB 0.8721 . ?
O6 H6 0.8502 . ?
O7 H7 0.8499 . ?
O8 H8 0.8503 . ?
O21 H21 0.8501 . ?
O22 H22 0.8499 . ?
O23 H23 0.8500 . ?
O24 C11 1.435(8) . ?
O24 C12 1.385(8) . ?
N1 C1 1.338(6) . ?
N1 C5 1.345(6) . ?
N2 N3 1.367(5) . ?
N2 C6 1.305(6) . ?
N3 C7 1.298(6) . ?
N4 C6 1.353(6) . ?
N4 C7 1.347(6) . ?
N4 C8 1.459(6) . ?
N5 H5 0.9800 . ?
N5 C9 1.495(6) . ?
N5 C10 1.476(7) . ?
N5 C13 1.502(7) . ?
C1 H1 0.9300 . ?
C1 C2 1.367(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.376(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.371(7) . ?
C5 C6 1.480(6) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.507(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.500(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.527(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8502 . ?
O3W H3WA 0.8498 . ?
O3W H3WB 0.8815 . ?
O4W H4WA 0.8967 . ?
O4W H4WB 0.8504 . ?
O5W H5WA 0.8504 . ?
O5W H5WB 0.8504 . ?
O6W H6WA 0.8501 . ?
O6W H6WB 0.8712 . ?
O7W H7WA 0.8610 . ?
O7W H7WB 0.8596 . ?

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
O3 Mo1 O6 83.44(12) . . ?
O3 Mo1 O7 72.07(12) . . ?
O4 Mo1 O3 100.33(16) . . ?
O4 Mo1 O5 105.10(17) . . ?
O4 Mo1 O6 160.30(14) . . ?
O4 Mo1 O7 91.39(15) . . ?
O4 Mo1 O11 97.10(15) . 2_677 ?
O5 Mo1 O3 96.42(15) . . ?
O5 Mo1 O6 93.57(14) . . ?
O5 Mo1 O7 161.55(14) . . ?
O5 Mo1 O11 103.03(15) . 2_677 ?
O6 Mo1 O7 71.23(10) . . ?
O11 Mo1 O3 149.44(13) 2_677 . ?
O11 Mo1 O6 72.13(12) 2_677 . ?
O11 Mo1 O7 82.65(12) 2_677 . ?
O1 Mo2 O2 104.62(18) . . ?
O1 Mo2 O3 97.18(17) . . ?
O1 Mo2 O7 163.78(15) . . ?
O1 Mo2 O8 98.04(15) . . ?
O1 Mo2 O9 101.51(17) . . ?
O2 Mo2 O3 101.66(16) . . ?
O2 Mo2 O7 89.05(14) . . ?
O2 Mo2 O8 156.58(15) . . ?
O2 Mo2 O9 98.95(16) . . ?
O3 Mo2 O7 71.08(12) . . ?
O3 Mo2 O8 81.02(12) . . ?
O8 Mo2 O7 69.62(10) . . ?
O9 Mo2 O3 147.58(13) . . ?
O9 Mo2 O7 84.59(12) . . ?
O9 Mo2 O8 70.37(11) . . ?
O8 Mo3 O6 70.34(10) . 2_677 ?
O9 Mo3 O6 82.59(12) . 2_677 ?
O9 Mo3 O8 71.79(12) . . ?
O10 Mo3 O6 159.93(14) . 2_677 ?
O10 Mo3 O8 92.18(15) . . ?
O10 Mo3 O9 101.71(16) . . ?
O10 Mo3 O11 98.87(16) . . ?
O10 Mo3 O25 104.37(17) . . ?
O11 Mo3 O6 70.82(12) . 2_677 ?
O11 Mo3 O8 85.62(12) . . ?
O11 Mo3 O9 149.79(13) . . ?
O25 Mo3 O6 94.57(13) . 2_677 ?
O25 Mo3 O8 161.21(14) . . ?
O25 Mo3 O9 95.78(14) . . ?
O25 Mo3 O11 100.27(14) . . ?
O12 Mo4 O21 84.26(12) . . ?
O12 Mo4 O23 71.68(12) . . ?
O13 Mo4 O12 99.63(16) . . ?
O13 Mo4 O15 106.93(17) . . ?
O13 Mo4 O16 97.45(16) . . ?
O13 Mo4 O21 163.16(15) . . ?
O13 Mo4 O23 94.03(14) . . ?
O15 Mo4 O12 97.88(14) . . ?
O15 Mo4 O16 99.31(15) . . ?
O15 Mo4 O21 88.59(13) . . ?
O15 Mo4 O23 158.07(13) . . ?
O16 Mo4 O12 151.02(13) . . ?
O16 Mo4 O21 73.06(12) . . ?
O16 Mo4 O23 83.95(13) . . ?
O23 Mo4 O21 71.50(11) . . ?
O14 Mo5 O16 101.34(16) . . ?
O14 Mo5 O18 97.71(15) . . ?
O14 Mo5 O21 92.78(15) . . ?
O14 Mo5 O22 159.92(15) . 2_667 ?
O16 Mo5 O18 146.94(14) . . ?
O16 Mo5 O21 71.48(12) . . ?
O16 Mo5 O22 82.61(12) . 2_667 ?
O17 Mo5 O14 104.68(19) . . ?
O17 Mo5 O16 100.87(16) . . ?
O17 Mo5 O18 100.09(16) . . ?
O17 Mo5 O21 162.14(15) . . ?
O17 Mo5 O22 93.73(16) . 2_667 ?
O18 Mo5 O21 80.89(12) . . ?
O18 Mo5 O22 70.76(12) . 2_667 ?
O22 Mo5 O21 69.60(10) 2_667 . ?
O12 Mo6 O22 80.13(12) . . ?
O12 Mo6 O23 71.42(12) . . ?
O18 Mo6 O12 148.02(14) 2_667 . ?
O18 Mo6 O22 71.53(12) 2_667 . ?
O18 Mo6 O23 85.26(13) 2_667 . ?
O19 Mo6 O12 93.38(15) . . ?
O19 Mo6 O18 102.31(16) . 2_667 ?
O19 Mo6 O22 92.72(14) . . ?
O19 Mo6 O23 158.98(14) . . ?
O20 Mo6 O12 101.43(16) . . ?
O20 Mo6 O18 100.70(16) . 2_667 ?
O20 Mo6 O19 106.12(17) . . ?
O20 Mo6 O22 160.89(14) . . ?
O20 Mo6 O23 91.42(14) . . ?
O23 Mo6 O22 70.87(10) . . ?
O15 Ni1 O1W 172.17(15) . . ?
O15 Ni1 N1 97.84(15) . . ?
O15 Ni1 N2 87.23(14) . . ?
O15 Ni1 N3 84.94(15) . 2_566 ?
O25 Ni1 O1W 87.81(14) . . ?
O25 Ni1 O15 86.01(13) . . ?
O25 Ni1 N1 94.67(14) . . ?
O25 Ni1 N2 169.53(14) . . ?
O25 Ni1 N3 90.06(14) . 2_566 ?
N1 Ni1 O1W 87.46(16) . . ?
N2 Ni1 O1W 99.54(15) . . ?
N2 Ni1 N1 78.34(15) . . ?
N3 Ni1 O1W 90.26(15) 2_566 . ?
N3 Ni1 N1 174.66(16) 2_566 . ?
N3 Ni1 N2 97.30(14) 2_566 . ?
O6 Cr1 O6 180.00(19) 2_677 . ?
O7 Cr1 O6 84.85(12) 2_677 2_677 ?
O7 Cr1 O6 95.15(12) . 2_677 ?
O7 Cr1 O6 95.15(12) 2_677 . ?
O7 Cr1 O6 84.85(12) . . ?
O7 Cr1 O7 180.0 2_677 . ?
O7 Cr1 O8 84.72(12) 2_677 2_677 ?
O7 Cr1 O8 95.27(12) 2_677 . ?
O7 Cr1 O8 95.28(12) . 2_677 ?
O7 Cr1 O8 84.73(12) . . ?
O8 Cr1 O6 96.42(12) 2_677 2_677 ?
O8 Cr1 O6 83.57(12) 2_677 . ?
O8 Cr1 O6 83.58(12) . 2_677 ?
O8 Cr1 O6 96.43(12) . . ?
O8 Cr1 O8 180.0 . 2_677 ?
O21 Cr2 O21 180.0 2_667 . ?
O21 Cr2 O22 95.31(12) . . ?
O21 Cr2 O22 95.31(12) 2_667 2_667 ?
O21 Cr2 O22 84.69(12) 2_667 . ?
O21 Cr2 O22 84.70(12) . 2_667 ?
O21 Cr2 O23 95.25(12) 2_667 . ?
O21 Cr2 O23 84.75(12) 2_667 2_667 ?
O21 Cr2 O23 84.75(12) . . ?
O21 Cr2 O23 95.25(12) . 2_667 ?
O22 Cr2 O22 180.0 . 2_667 ?
O23 Cr2 O22 84.89(12) 2_667 2_667 ?
O23 Cr2 O22 84.89(12) . . ?
O23 Cr2 O22 95.11(12) . 2_667 ?
O23 Cr2 O22 95.11(12) 2_667 . ?
O23 Cr2 O23 180.00(19) . 2_667 ?
Ni1 O1W H1WA 109.9 . . ?
Ni1 O1W H1WB 111.7 . . ?
H1WA O1W H1WB 102.7 . . ?
Mo2 O3 Mo1 118.69(16) . . ?
Mo1 O6 Mo3 92.96(11) . 2_677 ?
Mo1 O6 H6 120.7 . . ?
Mo3 O6 H6 121.5 2_677 . ?
Cr1 O6 Mo1 102.09(12) . . ?
Cr1 O6 Mo3 100.98(12) . 2_677 ?
Cr1 O6 H6 114.5 . . ?
Mo1 O7 Mo2 92.54(11) . . ?
Mo1 O7 H7 121.4 . . ?
Mo2 O7 H7 121.0 . . ?
Cr1 O7 Mo1 101.80(12) . . ?
Cr1 O7 Mo2 102.30(13) . . ?
Cr1 O7 H7 113.8 . . ?
Mo2 O8 H8 120.7 . . ?
Mo3 O8 Mo2 94.14(11) . . ?
Mo3 O8 H8 119.1 . . ?
Cr1 O8 Mo2 103.35(13) . . ?
Cr1 O8 Mo3 105.04(13) . . ?
Cr1 O8 H8 111.9 . . ?
Mo2 O9 Mo3 118.72(15) . . ?
Mo3 O11 Mo1 120.44(16) . 2_677 ?
Mo4 O12 Mo6 116.85(15) . . ?
Mo4 O15 Ni1 157.7(2) . . ?
Mo4 O16 Mo5 118.07(15) . . ?
Mo6 O18 Mo5 121.70(16) 2_667 . ?
Mo4 O21 Mo5 92.48(10) . . ?
Mo4 O21 H21 121.6 . . ?
Mo5 O21 H21 120.6 . . ?
Cr2 O21 Mo4 102.04(13) . . ?
Cr2 O21 Mo5 103.24(12) . . ?
Cr2 O21 H21 113.3 . . ?
Mo5 O22 Mo6 91.54(11) 2_667 . ?
Mo5 O22 H22 121.1 2_667 . ?
Mo6 O22 H22 122.7 . . ?
Cr2 O22 Mo5 102.46(12) . 2_667 ?
Cr2 O22 Mo6 100.32(12) . . ?
Cr2 O22 H22 114.3 . . ?
Mo4 O23 H23 120.7 . . ?
Mo6 O23 Mo4 94.77(11) . . ?
Mo6 O23 H23 119.0 . . ?
Cr2 O23 Mo4 101.71(13) . . ?
Cr2 O23 Mo6 103.83(12) . . ?
Cr2 O23 H23 113.6 . . ?
C12 O24 C11 110.3(5) . . ?
Mo3 O25 Ni1 174.7(2) . . ?
C1 N1 Ni1 125.5(3) . . ?
C1 N1 C5 117.5(4) . . ?
C5 N1 Ni1 116.2(3) . . ?
N3 N2 Ni1 135.7(3) . . ?
C6 N2 Ni1 114.5(3) . . ?
C6 N2 N3 107.9(4) . . ?
N2 N3 Ni1 124.8(3) . 2_566 ?
C7 N3 Ni1 128.2(3) . 2_566 ?
C7 N3 N2 106.7(4) . . ?
C6 N4 C8 128.5(4) . . ?
C7 N4 C6 105.1(4) . . ?
C7 N4 C8 126.0(4) . . ?
C9 N5 H5 108.2 . . ?
C9 N5 C13 107.4(4) . . ?
C10 N5 H5 108.2 . . ?
C10 N5 C9 114.5(5) . . ?
C10 N5 C13 110.2(4) . . ?
C13 N5 H5 108.2 . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 122.9(5) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.5 . . ?
C1 C2 C3 119.0(5) . . ?
C3 C2 H2 120.5 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 119.1(5) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.7(5) . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 122.8(4) . . ?
N1 C5 C6 110.9(4) . . ?
C4 C5 C6 126.2(4) . . ?
N2 C6 N4 109.5(4) . . ?
N2 C6 C5 118.9(4) . . ?
N4 C6 C5 131.6(4) . . ?
N3 C7 N4 110.8(4) . . ?
N3 C7 H7A 124.6 . . ?
N4 C7 H7A 124.6 . . ?
N4 C8 H8A 109.6 . . ?
N4 C8 H8B 109.6 . . ?
N4 C8 C9 110.2(4) . . ?
H8A C8 H8B 108.1 . . ?
C9 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
N5 C9 C8 112.1(4) . . ?
N5 C9 H9A 109.2 . . ?
N5 C9 H9B 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
N5 C10 H10A 109.5 . . ?
N5 C10 H10B 109.5 . . ?
N5 C10 C11 110.6(5) . . ?
H10A C10 H10B 108.1 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
O24 C11 C10 110.0(5) . . ?
O24 C11 H11A 109.7 . . ?
O24 C11 H11B 109.7 . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
O24 C12 H12A 109.2 . . ?
O24 C12 H12B 109.2 . . ?
O24 C12 C13 112.1(6) . . ?
H12A C12 H12B 107.9 . . ?
C13 C12 H12A 109.2 . . ?
C13 C12 H12B 109.2 . . ?
N5 C13 C12 110.2(5) . . ?
N5 C13 H13A 109.6 . . ?
N5 C13 H13B 109.6 . . ?
C12 C13 H13A 109.6 . . ?
C12 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 106.2 . . ?
H4WA O4W H4WB 101.3 . . ?
H5WA O5W H5WB 104.4 . . ?
H6WA O6W H6WB 100.7 . . ?
H7WA O7W H7WB 109.3 . . ?

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
Ni1 N1 C1 C2 -167.7(5) . . . . ?
Ni1 N1 C5 C4 169.0(4) . . . . ?
Ni1 N1 C5 C6 -8.4(5) . . . . ?
Ni1 N2 N3 Ni1 20.8(6) . . . 2_566 ?
Ni1 N2 N3 C7 -164.0(4) . . . . ?
Ni1 N2 C6 N4 167.9(3) . . . . ?
Ni1 N2 C6 C5 -10.1(5) . . . . ?
Ni1 N3 C7 N4 175.8(3) 2_566 . . . ?
O12 Mo4 O15 Ni1 -91.7(5) . . . . ?
O13 Mo4 O15 Ni1 10.9(6) . . . . ?
O16 Mo4 O15 Ni1 111.7(5) . . . . ?
O21 Mo4 O15 Ni1 -175.7(5) . . . . ?
O23 Mo4 O15 Ni1 -151.4(4) . . . . ?
O24 C12 C13 N5 54.8(7) . . . . ?
N1 C1 C2 C3 -1.3(9) . . . . ?
N1 C5 C6 N2 12.3(6) . . . . ?
N1 C5 C6 N4 -165.1(5) . . . . ?
N2 N3 C7 N4 0.9(6) . . . . ?
N3 N2 C6 N4 0.9(5) . . . . ?
N3 N2 C6 C5 -177.0(4) . . . . ?
N4 C8 C9 N5 -175.3(5) . . . . ?
N5 C10 C11 O24 -59.6(7) . . . . ?
C1 N1 C5 C4 -1.0(7) . . . . ?
C1 N1 C5 C6 -178.5(4) . . . . ?
C1 C2 C3 C4 1.0(10) . . . . ?
C2 C3 C4 C5 -0.7(9) . . . . ?
C3 C4 C5 N1 0.7(8) . . . . ?
C3 C4 C5 C6 177.8(5) . . . . ?
C4 C5 C6 N2 -165.0(5) . . . . ?
C4 C5 C6 N4 17.5(8) . . . . ?
C5 N1 C1 C2 1.3(8) . . . . ?
C6 N2 N3 Ni1 -176.3(3) . . . 2_566 ?
C6 N2 N3 C7 -1.1(5) . . . . ?
C6 N4 C7 N3 -0.3(6) . . . . ?
C6 N4 C8 C9 148.3(5) . . . . ?
C7 N4 C6 N2 -0.4(5) . . . . ?
C7 N4 C6 C5 177.2(5) . . . . ?
C7 N4 C8 C9 -22.7(8) . . . . ?
C8 N4 C6 N2 -172.8(5) . . . . ?
C8 N4 C6 C5 4.8(9) . . . . ?
C8 N4 C7 N3 172.3(5) . . . . ?
C9 N5 C10 C11 175.2(5) . . . . ?
C9 N5 C13 C12 -175.9(5) . . . . ?
C10 N5 C9 C8 63.9(6) . . . . ?
C10 N5 C13 C12 -50.6(7) . . . . ?
C11 O24 C12 C13 -60.6(7) . . . . ?
C12 O24 C11 C10 62.7(7) . . . . ?
C13 N5 C9 C8 -173.4(5) . . . . ?
C13 N5 C10 C11 54.0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_7
_audit_block_doi                 10.5517/ccdc.csd.cc28zcm8
_database_code_depnum_ccdc_archive 'CCDC 2114560'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-22 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Mo8 O26, C24 H38 Co N12 O4'
_chemical_formula_sum            'C24 H38 Co Mo8 N12 O30'
_chemical_formula_weight         1801.11
_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.6073(3)
_cell_length_b                   15.5933(5)
_cell_length_c                   17.3050(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.3220(10)
_cell_angle_gamma                90
_cell_volume                     2291.94(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9162
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.291
_cell_measurement_theta_min      2.385
_shelx_estimated_absorpt_T_max   0.731
_shelx_estimated_absorpt_T_min   0.699
_exptl_absorpt_coefficient_mu    2.576
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0361 before and 0.0224 after correction.
The Ratio of minimum to maximum transmission is 0.8643.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.610
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1738
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16697
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.290
_diffrn_reflns_theta_min         1.769
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5055
_reflns_number_total             5695
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5695
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0208
_refine_ls_restrained_S_all      1.062
_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)+(0.0172P)²+2.7076P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0466
_refine_ls_wR_factor_ref         0.0483
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Riding coordinates:
 O1W(H1WA,H1WB)
2.b Ternary CH refined with riding coordinates:
 N1(H1)
2.c Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B),
 C12(H12A,H12B)
2.d Aromatic/amide H refined with riding coordinates:
 C1(H1A), C5(H5), C6(H6), C7(H7)
;
_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
Mo1 Mo 0.95407(3) 0.56463(2) 0.29776(2) 0.02183(5) Uani 1 1 d . . . . .
Mo2 Mo 0.96782(2) 0.37472(2) 0.37731(2) 0.01895(5) Uani 1 1 d . . . . .
Mo3 Mo 0.81756(2) 0.45658(2) 0.52006(2) 0.01819(5) Uani 1 1 d . . . . .
Mo4 Mo 0.80989(3) 0.64597(2) 0.44302(2) 0.02098(5) Uani 1 1 d . . . . .
O2 O 0.6357(2) 0.43794(13) 0.47070(11) 0.0300(4) Uani 1 1 d . . . . .
O3 O 0.9317(2) 0.35892(11) 0.48691(10) 0.0211(4) Uani 1 1 d . . . . .
O4 O 0.8130(2) 0.42209(12) 0.61569(10) 0.0248(4) Uani 1 1 d . . . . .
O5 O 0.80901(19) 0.57977(11) 0.54146(10) 0.0203(3) Uani 1 1 d . . . . .
O6 O 0.7995(2) 0.74912(12) 0.47548(11) 0.0320(4) Uani 1 1 d . . . . .
O7 O 0.9124(2) 0.66479(11) 0.35490(10) 0.0246(4) Uani 1 1 d . . . . .
O8 O 0.6258(2) 0.62119(14) 0.39960(12) 0.0347(5) Uani 1 1 d . . . . .
O9 O 0.91831(19) 0.51226(11) 0.42409(10) 0.0203(3) Uani 1 1 d . . . . .
O10 O 1.0424(2) 0.60629(13) 0.22415(11) 0.0332(4) Uani 1 1 d . . . . .
O11 O 0.7681(2) 0.54059(14) 0.25477(12) 0.0351(5) Uani 1 1 d . . . . .
O12 O 1.0374(2) 0.44890(11) 0.30330(10) 0.0219(4) Uani 1 1 d . . . . .
O13 O 1.0630(2) 0.28268(12) 0.36173(11) 0.0292(4) Uani 1 1 d . . . . .
O14 O 0.7767(2) 0.35768(13) 0.33497(11) 0.0314(4) Uani 1 1 d . . . . .
Co1 Co 0.000000 0.500000 0.000000 0.01963(10) Uani 1 2 d S . P . .
O1 O 0.5421(4) 0.11814(16) 0.34993(18) 0.0709(9) Uani 1 1 d . . . . .
O1W O 0.0301(3) 0.38843(13) -0.06029(11) 0.0348(5) Uani 1 1 d . . . . .
H1WA H 0.009226 0.380267 -0.109459 0.052 Uiso 1 1 d R U . . .
H1WB H 0.077806 0.343076 -0.042479 0.052 Uiso 1 1 d R U . . .
N1 N 0.4805(3) 0.29596(15) 0.33108(14) 0.0286(5) Uani 1 1 d . . . . .
H1 H 0.590002 0.313144 0.330978 0.034 Uiso 1 1 calc R U . . .
N2 N 0.3735(2) 0.43878(14) 0.18874(13) 0.0242(5) Uani 1 1 d . . . . .
N3 N 0.2068(2) 0.46399(14) 0.08159(12) 0.0229(4) Uani 1 1 d . . . . .
N4 N 0.6605(3) 0.33085(17) 0.15846(17) 0.0383(6) Uani 1 1 d . . . . .
N5 N 0.8567(2) 0.42879(14) 0.07716(13) 0.0243(5) Uani 1 1 d . . . . .
N6 N 0.3530(3) 0.44559(15) 0.06060(13) 0.0264(5) Uani 1 1 d . . . . .
C1 C 0.2245(3) 0.45961(18) 0.15760(16) 0.0268(6) Uani 1 1 d . . . . .
H1A H 0.144554 0.469582 0.186738 0.032 Uiso 1 1 calc R U . . .
C2 C 0.4494(3) 0.43150(17) 0.12572(15) 0.0228(5) Uani 1 1 d . . . . .
C3 C 0.6158(3) 0.40623(17) 0.12649(15) 0.0244(5) Uani 1 1 d . . . . .
C4 C 0.4369(3) 0.44384(19) 0.27333(16) 0.0305(6) Uani 1 1 d . . . . .
H4A H 0.409305 0.499335 0.292512 0.037 Uiso 1 1 calc R U . . .
H4B H 0.550816 0.441062 0.279739 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7139(3) 0.45655(18) 0.08907(15) 0.0254(5) Uani 1 1 d . . . . .
H5 H 0.680374 0.510942 0.071713 0.030 Uiso 1 1 calc R U . . .
C6 C 0.8986(3) 0.35110(19) 0.10693(18) 0.0339(7) Uani 1 1 d . . . . .
H6 H 0.994089 0.327843 0.098788 0.041 Uiso 1 1 calc R U . . .
C7 C 0.8048(4) 0.3046(2) 0.1492(2) 0.0440(8) Uani 1 1 d . . . . .
H7 H 0.842920 0.253175 0.172073 0.053 Uiso 1 1 calc R U . . .
C8 C 0.3814(3) 0.3761(2) 0.32329(17) 0.0324(6) Uani 1 1 d . . . . .
H8A H 0.274087 0.360782 0.301332 0.039 Uiso 1 1 calc R U . . .
H8B H 0.380209 0.399537 0.375106 0.039 Uiso 1 1 calc R U . . .
C9 C 0.4363(4) 0.2351(2) 0.26599(19) 0.0438(8) Uani 1 1 d . . . . .
H9A H 0.443087 0.262776 0.216441 0.053 Uiso 1 1 calc R U . . .
H9B H 0.328940 0.215586 0.264912 0.053 Uiso 1 1 calc R U . . .
C10 C 0.4730(4) 0.2527(2) 0.40792(18) 0.0457(8) Uani 1 1 d . . . . .
H10A H 0.366027 0.234583 0.410268 0.055 Uiso 1 1 calc R U . . .
H10B H 0.506328 0.291991 0.450890 0.055 Uiso 1 1 calc R U . . .
C11 C 0.5478(6) 0.1606(2) 0.2786(3) 0.0657(12) Uani 1 1 d . . . . .
H11A H 0.521772 0.120298 0.235829 0.079 Uiso 1 1 calc R U . . .
H11B H 0.654096 0.180977 0.278166 0.079 Uiso 1 1 calc R U . . .
C12 C 0.5838(5) 0.1742(3) 0.4140(3) 0.0673(13) Uani 1 1 d . . . . .
H12A H 0.691365 0.193478 0.415351 0.081 Uiso 1 1 calc R U . . .
H12B H 0.578470 0.143658 0.462296 0.081 Uiso 1 1 calc R U . . .


_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
Mo1 O4 2.3091(18) 3_766 ?
Mo1 O7 1.9134(18) . ?
Mo1 O9 2.3999(17) . ?
Mo1 O10 1.7135(19) . ?
Mo1 O11 1.694(2) . ?
Mo1 O12 1.9385(17) . ?
Mo2 O3 1.9864(17) . ?
Mo2 O5 2.3010(17) 3_766 ?
Mo2 O9 2.3555(17) . ?
Mo2 O12 1.8935(17) . ?
Mo2 O13 1.6959(18) . ?
Mo2 O14 1.7095(18) . ?
Mo3 O2 1.6828(18) . ?
Mo3 O3 1.9481(17) . ?
Mo3 O4 1.7466(17) . ?
Mo3 O5 1.9600(17) . ?
Mo3 O9 2.1749(17) . ?
Mo3 O9 2.3721(17) 3_766 ?
Mo4 O3 2.3560(17) 3_766 ?
Mo4 O5 1.9929(17) . ?
Mo4 O6 1.7109(19) . ?
Mo4 O7 1.9041(18) . ?
Mo4 O8 1.6852(19) . ?
Mo4 O9 2.3289(17) . ?
Co1 O1W 2.0664(19) . ?
Co1 O1W 2.0664(19) 3_565 ?
Co1 N3 2.160(2) . ?
Co1 N3 2.160(2) 3_565 ?
Co1 N5 2.252(2) 3_665 ?
Co1 N5 2.252(2) 1_455 ?
O1 C11 1.408(5) . ?
O1 C12 1.411(5) . ?
O1W H1WA 0.8503 . ?
O1W H1WB 0.8501 . ?
N1 H1 0.9800 . ?
N1 C8 1.506(4) . ?
N1 C9 1.475(4) . ?
N1 C10 1.502(4) . ?
N2 C1 1.347(3) . ?
N2 C2 1.364(3) . ?
N2 C4 1.479(3) . ?
N3 N6 1.395(3) . ?
N3 C1 1.301(3) . ?
N4 C3 1.329(3) . ?
N4 C7 1.342(4) . ?
N5 C5 1.350(3) . ?
N5 C6 1.343(4) . ?
N6 C2 1.305(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.484(3) . ?
C3 C5 1.388(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C8 1.492(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C6 C7 1.380(4) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C11 1.500(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C12 1.546(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?

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 Mo1 O9 70.46(6) 3_766 . ?
O7 Mo1 O4 78.89(7) . 3_766 ?
O7 Mo1 O9 75.20(7) . . ?
O7 Mo1 O12 146.42(7) . . ?
O10 Mo1 O4 90.29(8) . 3_766 ?
O10 Mo1 O7 102.57(9) . . ?
O10 Mo1 O9 160.74(8) . . ?
O10 Mo1 O12 100.64(8) . . ?
O11 Mo1 O4 164.55(9) . 3_766 ?
O11 Mo1 O7 99.48(9) . . ?
O11 Mo1 O9 94.20(8) . . ?
O11 Mo1 O10 105.00(10) . . ?
O11 Mo1 O12 97.55(9) . . ?
O12 Mo1 O4 77.06(7) . 3_766 ?
O12 Mo1 O9 74.88(6) . . ?
O3 Mo2 O5 72.50(6) . 3_766 ?
O3 Mo2 O9 73.73(6) . . ?
O5 Mo2 O9 71.87(6) 3_766 . ?
O12 Mo2 O3 146.85(7) . . ?
O12 Mo2 O5 84.30(7) . 3_766 ?
O12 Mo2 O9 76.76(6) . . ?
O13 Mo2 O3 101.62(8) . . ?
O13 Mo2 O5 88.91(8) . 3_766 ?
O13 Mo2 O9 160.77(8) . . ?
O13 Mo2 O12 101.27(8) . . ?
O13 Mo2 O14 104.86(10) . . ?
O14 Mo2 O3 95.81(8) . . ?
O14 Mo2 O5 163.70(8) . 3_766 ?
O14 Mo2 O9 94.23(8) . . ?
O14 Mo2 O12 101.12(9) . . ?
O2 Mo3 O3 100.81(8) . . ?
O2 Mo3 O4 105.43(9) . . ?
O2 Mo3 O5 101.82(8) . . ?
O2 Mo3 O9 97.73(8) . . ?
O2 Mo3 O9 173.52(8) . 3_766 ?
O3 Mo3 O5 149.09(7) . . ?
O3 Mo3 O9 78.75(7) . . ?
O3 Mo3 O9 77.56(6) . 3_766 ?
O4 Mo3 O3 97.36(8) . . ?
O4 Mo3 O5 96.63(8) . . ?
O4 Mo3 O9 81.03(7) . 3_766 ?
O4 Mo3 O9 156.82(7) . . ?
O5 Mo3 O9 77.57(7) . . ?
O5 Mo3 O9 77.59(6) . 3_766 ?
O9 Mo3 O9 75.82(7) . 3_766 ?
O5 Mo4 O3 71.17(6) . 3_766 ?
O5 Mo4 O9 73.36(6) . . ?
O6 Mo4 O3 87.52(8) . 3_766 ?
O6 Mo4 O5 101.45(8) . . ?
O6 Mo4 O7 100.01(9) . . ?
O6 Mo4 O9 158.64(8) . . ?
O7 Mo4 O3 84.02(7) . 3_766 ?
O7 Mo4 O5 146.18(7) . . ?
O7 Mo4 O9 77.13(7) . . ?
O8 Mo4 O3 164.46(8) . 3_766 ?
O8 Mo4 O5 97.40(9) . . ?
O8 Mo4 O6 105.45(10) . . ?
O8 Mo4 O7 101.69(9) . . ?
O8 Mo4 O9 95.82(8) . . ?
O9 Mo4 O3 71.16(6) . 3_766 ?
Mo2 O3 Mo4 102.39(7) . 3_766 ?
Mo3 O3 Mo2 110.40(8) . . ?
Mo3 O3 Mo4 110.65(7) . 3_766 ?
Mo3 O4 Mo1 115.89(8) . 3_766 ?
Mo3 O5 Mo2 111.38(8) . 3_766 ?
Mo3 O5 Mo4 109.92(8) . . ?
Mo4 O5 Mo2 104.12(7) . 3_766 ?
Mo4 O7 Mo1 115.98(9) . . ?
Mo2 O9 Mo1 86.54(5) . . ?
Mo2 O9 Mo3 96.42(6) . 3_766 ?
Mo3 O9 Mo1 92.61(6) 3_766 . ?
Mo3 O9 Mo1 163.19(8) . . ?
Mo3 O9 Mo2 90.89(6) . . ?
Mo3 O9 Mo3 104.18(7) . 3_766 ?
Mo3 O9 Mo4 91.81(6) . . ?
Mo4 O9 Mo1 86.38(6) . . ?
Mo4 O9 Mo2 164.23(8) . . ?
Mo4 O9 Mo3 97.97(6) . 3_766 ?
Mo2 O12 Mo1 116.56(8) . . ?
O1W Co1 O1W 180.0 . 3_565 ?
O1W Co1 N3 87.34(8) 3_565 3_565 ?
O1W Co1 N3 87.35(8) . . ?
O1W Co1 N3 92.66(8) . 3_565 ?
O1W Co1 N3 92.66(8) 3_565 . ?
O1W Co1 N5 89.44(8) . 3_665 ?
O1W Co1 N5 90.56(8) . 1_455 ?
O1W Co1 N5 89.44(8) 3_565 1_455 ?
O1W Co1 N5 90.56(8) 3_565 3_665 ?
N3 Co1 N3 180.0 3_565 . ?
N3 Co1 N5 87.53(8) 3_565 3_665 ?
N3 Co1 N5 92.47(8) . 3_665 ?
N3 Co1 N5 92.47(8) 3_565 1_455 ?
N3 Co1 N5 87.53(8) . 1_455 ?
N5 Co1 N5 180.0 3_665 1_455 ?
C11 O1 C12 110.9(3) . . ?
Co1 O1W H1WA 127.4 . . ?
Co1 O1W H1WB 127.6 . . ?
H1WA O1W H1WB 104.5 . . ?
C8 N1 H1 107.7 . . ?
C9 N1 H1 107.7 . . ?
C9 N1 C8 113.1(2) . . ?
C9 N1 C10 110.2(2) . . ?
C10 N1 H1 107.7 . . ?
C10 N1 C8 110.3(2) . . ?
C1 N2 C2 104.4(2) . . ?
C1 N2 C4 123.9(2) . . ?
C2 N2 C4 130.4(2) . . ?
N6 N3 Co1 124.48(16) . . ?
C1 N3 Co1 128.59(17) . . ?
C1 N3 N6 106.8(2) . . ?
C3 N4 C7 115.5(2) . . ?
C5 N5 Co1 122.15(18) . 1_655 ?
C6 N5 Co1 122.24(17) . 1_655 ?
C6 N5 C5 115.2(2) . . ?
C2 N6 N3 106.5(2) . . ?
N2 C1 H1A 124.3 . . ?
N3 C1 N2 111.4(2) . . ?
N3 C1 H1A 124.3 . . ?
N2 C2 C3 127.0(2) . . ?
N6 C2 N2 110.9(2) . . ?
N6 C2 C3 122.0(2) . . ?
N4 C3 C2 116.9(2) . . ?
N4 C3 C5 122.5(2) . . ?
C5 C3 C2 120.4(2) . . ?
N2 C4 H4A 108.3 . . ?
N2 C4 H4B 108.3 . . ?
N2 C4 C8 115.8(2) . . ?
H4A C4 H4B 107.4 . . ?
C8 C4 H4A 108.3 . . ?
C8 C4 H4B 108.3 . . ?
N5 C5 C3 121.9(2) . . ?
N5 C5 H5 119.1 . . ?
C3 C5 H5 119.1 . . ?
N5 C6 H6 118.9 . . ?
N5 C6 C7 122.3(3) . . ?
C7 C6 H6 118.9 . . ?
N4 C7 C6 122.3(3) . . ?
N4 C7 H7 118.8 . . ?
C6 C7 H7 118.8 . . ?
N1 C8 H8A 108.7 . . ?
N1 C8 H8B 108.7 . . ?
C4 C8 N1 114.2(2) . . ?
C4 C8 H8A 108.7 . . ?
C4 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
N1 C9 H9A 110.1 . . ?
N1 C9 H9B 110.1 . . ?
N1 C9 C11 107.9(3) . . ?
H9A C9 H9B 108.4 . . ?
C11 C9 H9A 110.1 . . ?
C11 C9 H9B 110.1 . . ?
N1 C10 H10A 110.2 . . ?
N1 C10 H10B 110.2 . . ?
N1 C10 C12 107.5(3) . . ?
H10A C10 H10B 108.5 . . ?
C12 C10 H10A 110.2 . . ?
C12 C10 H10B 110.2 . . ?
O1 C11 C9 112.4(4) . . ?
O1 C11 H11A 109.1 . . ?
O1 C11 H11B 109.1 . . ?
C9 C11 H11A 109.1 . . ?
C9 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
O1 C12 C10 111.2(3) . . ?
O1 C12 H12A 109.4 . . ?
O1 C12 H12B 109.4 . . ?
C10 C12 H12A 109.4 . . ?
C10 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?

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
O2 Mo3 O4 Mo1 179.07(9) . . . 3_766 ?
O3 Mo2 O12 Mo1 -48.29(18) . . . . ?
O3 Mo3 O4 Mo1 75.67(10) . . . 3_766 ?
O5 Mo2 O12 Mo1 -93.43(9) 3_766 . . . ?
O5 Mo3 O4 Mo1 -76.69(9) . . . 3_766 ?
O9 Mo2 O12 Mo1 -20.75(8) . . . . ?
O9 Mo3 O4 Mo1 -2.9(2) . . . 3_766 ?
O9 Mo3 O4 Mo1 -0.43(8) 3_766 . . 3_766 ?
O13 Mo2 O12 Mo1 178.83(10) . . . . ?
O14 Mo2 O12 Mo1 71.03(11) . . . . ?
Co1 N3 N6 C2 176.48(17) . . . . ?
Co1 N3 C1 N2 -176.88(17) . . . . ?
Co1 N5 C5 C3 169.89(19) 1_655 . . . ?
Co1 N5 C6 C7 -174.9(3) 1_655 . . . ?
N1 C9 C11 O1 59.9(4) . . . . ?
N1 C10 C12 O1 -57.0(4) . . . . ?
N2 C2 C3 N4 57.0(4) . . . . ?
N2 C2 C3 C5 -128.5(3) . . . . ?
N2 C4 C8 N1 88.5(3) . . . . ?
N3 N6 C2 N2 0.7(3) . . . . ?
N3 N6 C2 C3 177.4(2) . . . . ?
N4 C3 C5 N5 5.6(4) . . . . ?
N5 C6 C7 N4 5.1(6) . . . . ?
N6 N3 C1 N2 -0.4(3) . . . . ?
N6 C2 C3 N4 -119.2(3) . . . . ?
N6 C2 C3 C5 55.3(4) . . . . ?
C1 N2 C2 N6 -0.9(3) . . . . ?
C1 N2 C2 C3 -177.5(3) . . . . ?
C1 N2 C4 C8 73.5(3) . . . . ?
C1 N3 N6 C2 -0.1(3) . . . . ?
C2 N2 C1 N3 0.8(3) . . . . ?
C2 N2 C4 C8 -121.9(3) . . . . ?
C2 C3 C5 N5 -168.6(2) . . . . ?
C3 N4 C7 C6 -2.2(5) . . . . ?
C4 N2 C1 N3 168.8(2) . . . . ?
C4 N2 C2 N6 -167.8(3) . . . . ?
C4 N2 C2 C3 15.7(4) . . . . ?
C5 N5 C6 C7 -2.3(4) . . . . ?
C6 N5 C5 C3 -2.7(4) . . . . ?
C7 N4 C3 C2 171.6(3) . . . . ?
C7 N4 C3 C5 -2.8(4) . . . . ?
C8 N1 C9 C11 177.4(3) . . . . ?
C8 N1 C10 C12 -177.0(3) . . . . ?
C9 N1 C8 C4 -84.5(3) . . . . ?
C9 N1 C10 C12 57.5(3) . . . . ?
C10 N1 C8 C4 151.6(3) . . . . ?
C10 N1 C9 C11 -58.7(4) . . . . ?
C11 O1 C12 C10 58.7(5) . . . . ?
C12 O1 C11 C9 -60.5(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
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data_2
_audit_block_doi                 10.5517/ccdc.csd.cc28kzsm
_database_code_depnum_ccdc_archive 'CCDC 2102661'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-22 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C6 H22 Ag Cr Mo6 N2 O25, 4(H2 O)'
_chemical_formula_sum            'C6 H30 Ag Cr Mo6 N2 O29'
_chemical_formula_weight         1329.83
_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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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                   12.0987(5)
_cell_length_b                   21.2376(9)
_cell_length_c                   12.9431(5)
_cell_angle_alpha                90
_cell_angle_beta                 116.5940(10)
_cell_angle_gamma                90
_cell_volume                     2973.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9378
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.267
_cell_measurement_theta_min      2.712
_shelx_estimated_absorpt_T_max   0.740
_shelx_estimated_absorpt_T_min   0.696
_exptl_absorpt_coefficient_mu    3.552
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0567 before and 0.0252 after correction.
The Ratio of minimum to maximum transmission is 0.8019.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    2.970
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2540
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16967
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.023
_diffrn_reflns_theta_max         25.023
_diffrn_reflns_theta_min         1.918
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4446
_reflns_number_total             5254
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.882
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         5254
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0237
_refine_ls_restrained_S_all      1.070
_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)+(0.0264P)²+6.9483P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0616
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H) groups, All N(H,H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O3W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Riding coordinates:
 O6(H6), O7(H7), O12(H12), O14(H14), O19(H19), O22(H22), O3W(H3WA,H3WB)
3.b Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O4W(H4WA,H4WB)
3.c Ternary CH refined with riding coordinates:
 N1(H1)
3.d Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2D,H2E), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
3.e Idealised Me refined as rotating group:
 N2(H2A,H2B,H2C)
;
_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
Ag1 Ag 0.64016(3) 0.25322(2) 0.98106(3) 0.02469(9) Uani 1 1 d . . . . .
Mo1 Mo -0.05236(3) 0.50733(2) 0.69282(3) 0.01975(9) Uani 1 1 d . . . . .
Mo2 Mo 0.12435(3) 0.63592(2) 0.77427(3) 0.01792(9) Uani 1 1 d . . . . .
Mo3 Mo 0.41998(3) 0.62773(2) 0.82068(3) 0.01757(8) Uani 1 1 d . . . . .
Mo4 Mo 0.53940(3) 0.49041(2) 0.80413(3) 0.01729(8) Uani 1 1 d . . . . .
Mo5 Mo 0.36048(3) 0.36111(2) 0.72590(3) 0.01774(8) Uani 1 1 d . . . . .
Mo6 Mo 0.06675(3) 0.36978(2) 0.67745(3) 0.02059(9) Uani 1 1 d . . . . .
Cr1 Cr 0.24401(5) 0.49894(2) 0.75018(5) 0.01322(13) Uani 1 1 d . . . . .
O1 O 0.1715(3) 0.67746(13) 0.9002(2) 0.0309(7) Uani 1 1 d . . . . .
O2 O 0.0072(3) 0.67888(13) 0.6729(2) 0.0314(7) Uani 1 1 d . . . . .
O3 O 0.2516(2) 0.65719(12) 0.7279(2) 0.0210(6) Uani 1 1 d . . . . .
O4 O 0.4637(3) 0.67708(14) 0.9368(2) 0.0318(7) Uani 1 1 d . . . . .
O5 O 0.4835(3) 0.65903(13) 0.7389(2) 0.0297(6) Uani 1 1 d . . . . .
O6 O 0.2851(2) 0.56845(11) 0.8624(2) 0.0165(5) Uani 1 1 d . . . . .
H6 H 0.305138 0.556277 0.931088 0.025 Uiso 1 1 d R U . . .
O7 O 0.0994(2) 0.55101(11) 0.6524(2) 0.0169(5) Uani 1 1 d . . . . .
H7 H 0.088831 0.556049 0.583396 0.025 Uiso 1 1 d R U . . .
O8 O 0.0290(2) 0.57211(12) 0.8048(2) 0.0225(6) Uani 1 1 d . . . . .
O9 O -0.1652(2) 0.54820(14) 0.5814(2) 0.0305(7) Uani 1 1 d . . . . .
O10 O -0.1259(3) 0.46928(15) 0.7599(3) 0.0358(7) Uani 1 1 d . . . . .
O11 O -0.0419(2) 0.43817(12) 0.5966(2) 0.0245(6) Uani 1 1 d . . . . .
O12 O 0.1277(2) 0.45594(12) 0.7955(2) 0.0193(5) Uani 1 1 d . . . . .
H12 H 0.156491 0.451818 0.868242 0.029 Uiso 1 1 d R U . . .
O13 O -0.0046(3) 0.33825(14) 0.7534(3) 0.0365(7) Uani 1 1 d . . . . .
O14 O 0.3584(2) 0.54182(11) 0.7038(2) 0.0165(5) Uani 1 1 d . . . . .
H14 H 0.328607 0.545945 0.630893 0.025 Uiso 1 1 d R U . . .
O15 O 0.5330(2) 0.55968(12) 0.9008(2) 0.0205(6) Uani 1 1 d . . . . .
O16 O 0.6087(3) 0.52629(14) 0.7312(2) 0.0301(7) Uani 1 1 d . . . . .
O17 O 0.6546(2) 0.44898(13) 0.9128(2) 0.0279(6) Uani 1 1 d . . . . .
O18 O 0.4554(2) 0.42450(12) 0.6938(2) 0.0206(6) Uani 1 1 d . . . . .
O19 O 0.3898(2) 0.44736(11) 0.8478(2) 0.0163(5) Uani 1 1 d . . . . .
H19 H 0.402286 0.442829 0.917443 0.024 Uiso 1 1 d R U . . .
O20 O 0.0303(3) 0.32074(14) 0.5620(3) 0.0355(7) Uani 1 1 d . . . . .
O21 O 0.2338(2) 0.34167(12) 0.7747(2) 0.0218(6) Uani 1 1 d . . . . .
O22 O 0.2029(2) 0.42935(11) 0.6384(2) 0.0182(5) Uani 1 1 d . . . . .
H22 H 0.183706 0.441952 0.570090 0.027 Uiso 1 1 d R U . . .
O23 O 0.3106(3) 0.31887(13) 0.6008(2) 0.0296(6) Uani 1 1 d . . . . .
O24 O 0.4761(3) 0.31770(13) 0.8276(2) 0.0309(7) Uani 1 1 d . . . . .
O25 O 0.7467(3) 0.26960(16) 0.8535(3) 0.0367(7) Uani 1 1 d . . . . .
N1 N 0.6680(3) 0.20712(17) 0.6349(3) 0.0285(8) Uani 1 1 d . . . . .
H1 H 0.602437 0.180013 0.580020 0.034 Uiso 1 1 calc R U . . .
N2 N 0.8016(3) 0.25368(14) 0.4328(3) 0.0239(7) Uani 1 1 d . . . . .
H2A H 0.785217 0.284601 0.381583 0.029 Uiso 1 1 calc R U . . .
H2B H 0.796581 0.216803 0.398281 0.029 Uiso 1 1 calc R U . . .
H2C H 0.877567 0.258630 0.489756 0.029 Uiso 1 1 calc R U . . .
C1 C 0.6960(4) 0.3051(2) 0.7483(4) 0.0369(11) Uani 1 1 d . . . . .
H1A H 0.762119 0.319308 0.731074 0.044 Uiso 1 1 calc R U . . .
H1B H 0.653632 0.341940 0.757264 0.044 Uiso 1 1 calc R U . . .
C2 C 0.6067(4) 0.2654(2) 0.6502(4) 0.0325(10) Uani 1 1 d . . . . .
H2D H 0.537898 0.253536 0.665371 0.039 Uiso 1 1 calc R U . . .
H2E H 0.574202 0.289825 0.579384 0.039 Uiso 1 1 calc R U . . .
C3 C 0.8110(4) 0.2152(2) 0.8442(4) 0.0355(10) Uani 1 1 d . . . . .
H3A H 0.844938 0.192448 0.916837 0.043 Uiso 1 1 calc R U . . .
H3B H 0.879130 0.228178 0.828926 0.043 Uiso 1 1 calc R U . . .
C4 C 0.7265(4) 0.1723(2) 0.7487(4) 0.0337(10) Uani 1 1 d . . . . .
H4A H 0.662361 0.156232 0.767124 0.040 Uiso 1 1 calc R U . . .
H4B H 0.773313 0.136703 0.742198 0.040 Uiso 1 1 calc R U . . .
C5 C 0.7595(4) 0.2169(2) 0.5880(4) 0.0345(10) Uani 1 1 d . . . . .
H5A H 0.832110 0.237460 0.646600 0.041 Uiso 1 1 calc R U . . .
H5B H 0.784909 0.176140 0.572435 0.041 Uiso 1 1 calc R U . . .
C6 C 0.7114(4) 0.2553(2) 0.4804(4) 0.0319(10) Uani 1 1 d . . . . .
H6A H 0.632727 0.238577 0.424368 0.038 Uiso 1 1 calc R U . . .
H6B H 0.698646 0.298452 0.497469 0.038 Uiso 1 1 calc R U . . .
O1W O 0.9671(3) 0.3554(2) 0.9711(3) 0.0571(10) Uani 1 1 d G . . . .
H1WA H 0.898893 0.351229 0.974398 0.086 Uiso 1 1 d G U . . .
H1WB H 0.953151 0.360771 0.901188 0.086 Uiso 1 1 d G U . . .
O2W O 0.4589(4) 0.4104(2) 0.4846(4) 0.0676(12) Uani 1 1 d G . . . .
H2WA H 0.440548 0.424277 0.536722 0.101 Uiso 1 1 d G U . . .
H2WB H 0.409913 0.429685 0.423634 0.101 Uiso 1 1 d G U . . .
O3W O 0.1590(5) 0.4433(3) 1.0152(4) 0.130(3) Uani 1 1 d . U . A 1
H3WA H 0.184038 0.478138 1.050305 0.195 Uiso 1 1 d R U . A 1
H3WB H 0.083898 0.440828 1.002655 0.195 Uiso 1 1 d R U . A 1
O4W O 0.3160(4) 0.5876(2) 0.4995(3) 0.0639(12) Uani 1 1 d G . . . .
H4WA H 0.389539 0.592227 0.508374 0.096 Uiso 1 1 d G U . . .
H4WB H 0.273868 0.579760 0.428014 0.096 Uiso 1 1 d G U . . .


_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
Ag1 O1 2.566(3) 3_667 ?
Ag1 O2 2.542(3) 2_546 ?
Ag1 O4 2.470(3) 3_667 ?
Ag1 O20 2.565(3) 4_666 ?
Ag1 O23 2.477(3) 4_666 ?
Ag1 O24 2.496(3) . ?
Ag1 O25 2.533(3) . ?
Mo1 O7 2.317(2) . ?
Mo1 O8 1.920(3) . ?
Mo1 O9 1.713(3) . ?
Mo1 O10 1.700(3) . ?
Mo1 O11 1.966(3) . ?
Mo1 O12 2.261(2) . ?
Mo2 O1 1.711(3) . ?
Mo2 O2 1.703(3) . ?
Mo2 O3 1.940(3) . ?
Mo2 O6 2.270(2) . ?
Mo2 O7 2.325(2) . ?
Mo2 O8 1.931(3) . ?
Mo3 O3 1.947(3) . ?
Mo3 O4 1.710(3) . ?
Mo3 O5 1.697(3) . ?
Mo3 O6 2.308(2) . ?
Mo3 O14 2.273(2) . ?
Mo3 O15 1.940(2) . ?
Mo4 O14 2.265(2) . ?
Mo4 O15 1.955(3) . ?
Mo4 O16 1.698(3) . ?
Mo4 O17 1.715(3) . ?
Mo4 O18 1.932(3) . ?
Mo4 O19 2.312(2) . ?
Mo5 O18 1.931(3) . ?
Mo5 O19 2.338(2) . ?
Mo5 O21 1.946(3) . ?
Mo5 O22 2.255(2) . ?
Mo5 O23 1.708(3) . ?
Mo5 O24 1.701(3) . ?
Mo6 O11 1.923(3) . ?
Mo6 O12 2.284(3) . ?
Mo6 O13 1.709(3) . ?
Mo6 O20 1.709(3) . ?
Mo6 O21 1.936(3) . ?
Mo6 O22 2.306(2) . ?
Cr1 O6 1.972(2) . ?
Cr1 O7 1.975(2) . ?
Cr1 O12 1.974(2) . ?
Cr1 O14 1.962(2) . ?
Cr1 O19 1.978(2) . ?
Cr1 O22 1.970(2) . ?
O6 H6 0.8503 . ?
O7 H7 0.8500 . ?
O12 H12 0.8501 . ?
O14 H14 0.8500 . ?
O19 H19 0.8504 . ?
O22 H22 0.8500 . ?
O25 C1 1.432(5) . ?
O25 C3 1.428(5) . ?
N1 H1 0.9800 . ?
N1 C2 1.501(5) . ?
N1 C4 1.511(5) . ?
N1 C5 1.496(5) . ?
N2 H2A 0.8900 . ?
N2 H2B 0.8900 . ?
N2 H2C 0.8900 . ?
N2 C6 1.476(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.504(6) . ?
C2 H2D 0.9700 . ?
C2 H2E 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.507(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.490(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8501 . ?
O2W H2WA 0.8509 . ?
O2W H2WB 0.8498 . ?
O3W H3WA 0.8506 . ?
O3W H3WB 0.8497 . ?
O4W H4WA 0.8499 . ?
O4W H4WB 0.8496 . ?

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
O2 Ag1 O1 161.61(9) 2_546 3_667 ?
O2 Ag1 O20 68.29(10) 2_546 4_666 ?
O4 Ag1 O1 83.38(9) 3_667 3_667 ?
O4 Ag1 O2 113.36(9) 3_667 2_546 ?
O4 Ag1 O20 74.59(11) 3_667 4_666 ?
O4 Ag1 O23 122.86(10) 3_667 4_666 ?
O4 Ag1 O24 68.72(9) 3_667 . ?
O4 Ag1 O25 134.76(10) 3_667 . ?
O20 Ag1 O1 126.15(9) 4_666 3_667 ?
O23 Ag1 O1 73.30(10) 4_666 3_667 ?
O23 Ag1 O2 101.64(10) 4_666 2_546 ?
O23 Ag1 O20 78.72(9) 4_666 4_666 ?
O23 Ag1 O24 168.41(10) 4_666 . ?
O23 Ag1 O25 88.21(10) 4_666 . ?
O24 Ag1 O1 109.78(10) . 3_667 ?
O24 Ag1 O2 71.84(10) . 2_546 ?
O24 Ag1 O20 106.75(9) . 4_666 ?
O24 Ag1 O25 82.03(10) . . ?
O25 Ag1 O1 74.77(10) . 3_667 ?
O25 Ag1 O2 87.54(10) . 2_546 ?
O25 Ag1 O20 149.16(10) . 4_666 ?
O8 Mo1 O7 72.11(10) . . ?
O8 Mo1 O11 148.95(11) . . ?
O8 Mo1 O12 82.45(10) . . ?
O9 Mo1 O7 91.18(12) . . ?
O9 Mo1 O8 102.62(13) . . ?
O9 Mo1 O11 95.66(12) . . ?
O9 Mo1 O12 159.16(12) . . ?
O10 Mo1 O7 162.71(12) . . ?
O10 Mo1 O8 99.46(13) . . ?
O10 Mo1 O9 105.57(14) . . ?
O10 Mo1 O11 99.51(13) . . ?
O10 Mo1 O12 93.31(12) . . ?
O11 Mo1 O7 82.74(10) . . ?
O11 Mo1 O12 72.12(10) . . ?
O12 Mo1 O7 70.93(9) . . ?
O1 Mo2 O3 101.64(12) . . ?
O1 Mo2 O6 90.08(12) . . ?
O1 Mo2 O7 158.89(12) . . ?
O1 Mo2 O8 98.19(12) . . ?
O2 Mo2 O1 105.39(14) . . ?
O2 Mo2 O3 98.02(12) . . ?
O2 Mo2 O6 163.00(12) . . ?
O2 Mo2 O7 94.73(12) . . ?
O2 Mo2 O8 99.56(13) . . ?
O3 Mo2 O6 71.46(9) . . ?
O3 Mo2 O7 81.40(10) . . ?
O6 Mo2 O7 70.91(8) . . ?
O8 Mo2 O3 148.87(11) . . ?
O8 Mo2 O6 84.84(10) . . ?
O8 Mo2 O7 71.73(10) . . ?
O3 Mo3 O6 70.46(9) . . ?
O3 Mo3 O14 84.65(10) . . ?
O4 Mo3 O3 99.89(12) . . ?
O4 Mo3 O6 95.86(12) . . ?
O4 Mo3 O14 163.22(12) . . ?
O4 Mo3 O15 96.90(12) . . ?
O5 Mo3 O3 97.47(12) . . ?
O5 Mo3 O4 105.04(14) . . ?
O5 Mo3 O6 157.55(11) . . ?
O5 Mo3 O14 90.23(11) . . ?
O5 Mo3 O15 102.57(12) . . ?
O14 Mo3 O6 70.28(8) . . ?
O15 Mo3 O3 149.45(10) . . ?
O15 Mo3 O6 82.62(10) . . ?
O15 Mo3 O14 72.56(9) . . ?
O14 Mo4 O19 70.68(8) . . ?
O15 Mo4 O14 72.48(9) . . ?
O15 Mo4 O19 83.20(9) . . ?
O16 Mo4 O14 93.20(11) . . ?
O16 Mo4 O15 100.90(13) . . ?
O16 Mo4 O17 105.31(14) . . ?
O16 Mo4 O18 98.13(13) . . ?
O16 Mo4 O19 161.53(11) . . ?
O17 Mo4 O14 160.10(11) . . ?
O17 Mo4 O15 96.42(12) . . ?
O17 Mo4 O18 101.55(12) . . ?
O17 Mo4 O19 91.98(11) . . ?
O18 Mo4 O14 82.61(10) . . ?
O18 Mo4 O15 149.28(10) . . ?
O18 Mo4 O19 71.56(9) . . ?
O18 Mo5 O19 70.96(9) . . ?
O18 Mo5 O21 148.03(11) . . ?
O18 Mo5 O22 83.92(10) . . ?
O21 Mo5 O19 81.43(10) . . ?
O21 Mo5 O22 71.82(10) . . ?
O22 Mo5 O19 71.00(8) . . ?
O23 Mo5 O18 98.85(12) . . ?
O23 Mo5 O19 159.01(11) . . ?
O23 Mo5 O21 101.60(12) . . ?
O23 Mo5 O22 90.04(11) . . ?
O24 Mo5 O18 100.50(13) . . ?
O24 Mo5 O19 94.50(11) . . ?
O24 Mo5 O21 97.36(12) . . ?
O24 Mo5 O22 162.74(12) . . ?
O24 Mo5 O23 105.58(14) . . ?
O11 Mo6 O12 72.31(10) . . ?
O11 Mo6 O21 147.85(11) . . ?
O11 Mo6 O22 81.24(10) . . ?
O12 Mo6 O22 70.04(9) . . ?
O13 Mo6 O11 102.15(13) . . ?
O13 Mo6 O12 91.38(12) . . ?
O13 Mo6 O21 98.89(13) . . ?
O13 Mo6 O22 159.36(13) . . ?
O20 Mo6 O11 97.97(13) . . ?
O20 Mo6 O12 162.27(12) . . ?
O20 Mo6 O13 105.36(15) . . ?
O20 Mo6 O21 99.58(13) . . ?
O20 Mo6 O22 94.18(12) . . ?
O21 Mo6 O12 83.20(10) . . ?
O21 Mo6 O22 70.82(9) . . ?
O6 Cr1 O7 84.95(10) . . ?
O6 Cr1 O12 96.08(11) . . ?
O6 Cr1 O19 94.90(10) . . ?
O7 Cr1 O19 179.44(10) . . ?
O12 Cr1 O7 84.54(10) . . ?
O12 Cr1 O19 96.01(10) . . ?
O14 Cr1 O6 84.16(10) . . ?
O14 Cr1 O7 95.02(10) . . ?
O14 Cr1 O12 179.48(10) . . ?
O14 Cr1 O19 84.43(10) . . ?
O14 Cr1 O22 95.96(10) . . ?
O22 Cr1 O6 179.86(10) . . ?
O22 Cr1 O7 95.12(10) . . ?
O22 Cr1 O12 83.80(11) . . ?
O22 Cr1 O19 85.03(10) . . ?
Mo2 O1 Ag1 134.01(14) . 3_667 ?
Mo2 O2 Ag1 170.69(16) . 2_556 ?
Mo2 O3 Mo3 119.39(13) . . ?
Mo3 O4 Ag1 136.77(15) . 3_667 ?
Mo2 O6 Mo3 94.28(9) . . ?
Mo2 O6 H6 119.8 . . ?
Mo3 O6 H6 120.7 . . ?
Cr1 O6 Mo2 103.04(10) . . ?
Cr1 O6 Mo3 101.98(10) . . ?
Cr1 O6 H6 113.7 . . ?
Mo1 O7 Mo2 91.85(9) . . ?
Mo1 O7 H7 121.7 . . ?
Mo2 O7 H7 121.9 . . ?
Cr1 O7 Mo1 101.25(10) . . ?
Cr1 O7 Mo2 100.99(10) . . ?
Cr1 O7 H7 114.7 . . ?
Mo1 O8 Mo2 120.02(13) . . ?
Mo6 O11 Mo1 116.23(13) . . ?
Mo1 O12 Mo6 93.21(9) . . ?
Mo1 O12 H12 120.7 . . ?
Mo6 O12 H12 120.5 . . ?
Cr1 O12 Mo1 103.28(10) . . ?
Cr1 O12 Mo6 103.40(11) . . ?
Cr1 O12 H12 112.6 . . ?
Mo3 O14 H14 120.4 . . ?
Mo4 O14 Mo3 93.47(9) . . ?
Mo4 O14 H14 120.5 . . ?
Cr1 O14 Mo3 103.57(10) . . ?
Cr1 O14 Mo4 103.53(10) . . ?
Cr1 O14 H14 112.4 . . ?
Mo3 O15 Mo4 116.04(12) . . ?
Mo5 O18 Mo4 120.84(13) . . ?
Mo4 O19 Mo5 92.52(9) . . ?
Mo4 O19 H19 121.2 . . ?
Mo5 O19 H19 121.9 . . ?
Cr1 O19 Mo4 101.35(10) . . ?
Cr1 O19 Mo5 100.38(10) . . ?
Cr1 O19 H19 115.1 . . ?
Mo6 O20 Ag1 138.76(15) . 4_565 ?
Mo6 O21 Mo5 117.91(13) . . ?
Mo5 O22 Mo6 93.64(9) . . ?
Mo5 O22 H22 120.1 . . ?
Mo6 O22 H22 120.7 . . ?
Cr1 O22 Mo5 103.56(10) . . ?
Cr1 O22 Mo6 102.74(11) . . ?
Cr1 O22 H22 112.9 . . ?
Mo5 O23 Ag1 139.45(15) . 4_565 ?
Mo5 O24 Ag1 177.57(17) . . ?
C1 O25 Ag1 124.4(2) . . ?
C3 O25 Ag1 113.5(3) . . ?
C3 O25 C1 111.3(3) . . ?
C2 N1 H1 107.0 . . ?
C2 N1 C4 108.6(3) . . ?
C4 N1 H1 107.0 . . ?
C5 N1 H1 107.0 . . ?
C5 N1 C2 116.0(3) . . ?
C5 N1 C4 110.7(3) . . ?
H2A N2 H2B 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C6 N2 H2A 109.5 . . ?
C6 N2 H2B 109.5 . . ?
C6 N2 H2C 109.5 . . ?
O25 C1 H1A 109.6 . . ?
O25 C1 H1B 109.6 . . ?
O25 C1 C2 110.3(4) . . ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
N1 C2 C1 111.3(3) . . ?
N1 C2 H2D 109.4 . . ?
N1 C2 H2E 109.4 . . ?
C1 C2 H2D 109.4 . . ?
C1 C2 H2E 109.4 . . ?
H2D C2 H2E 108.0 . . ?
O25 C3 H3A 109.4 . . ?
O25 C3 H3B 109.4 . . ?
O25 C3 C4 111.3(3) . . ?
H3A C3 H3B 108.0 . . ?
C4 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
C3 C4 N1 110.7(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
N1 C5 H5A 108.8 . . ?
N1 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 N1 113.9(3) . . ?
C6 C5 H5A 108.8 . . ?
C6 C5 H5B 108.8 . . ?
N2 C6 C5 109.0(3) . . ?
N2 C6 H6A 109.9 . . ?
N2 C6 H6B 109.9 . . ?
C5 C6 H6A 109.9 . . ?
C5 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
H1WA O1W H1WB 109.5 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 104.5 . . ?
H4WA O4W H4WB 104.6 . . ?

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
Ag1 O25 C1 C2 -82.1(4) . . . . ?
Ag1 O25 C3 C4 86.7(3) . . . . ?
O2 Mo2 O1 Ag1 -105.0(2) . . . 3_667 ?
O3 Mo2 O1 Ag1 -3.2(2) . . . 3_667 ?
O3 Mo3 O4 Ag1 16.8(2) . . . 3_667 ?
O5 Mo3 O4 Ag1 117.4(2) . . . 3_667 ?
O6 Mo2 O1 Ag1 67.9(2) . . . 3_667 ?
O6 Mo3 O4 Ag1 -54.3(2) . . . 3_667 ?
O7 Mo2 O1 Ag1 93.1(3) . . . 3_667 ?
O8 Mo2 O1 Ag1 152.65(19) . . . 3_667 ?
O11 Mo6 O20 Ag1 138.5(2) . . . 4_565 ?
O12 Mo6 O20 Ag1 83.2(4) . . . 4_565 ?
O13 Mo6 O20 Ag1 -116.5(2) . . . 4_565 ?
O14 Mo3 O4 Ag1 -87.7(4) . . . 3_667 ?
O15 Mo3 O4 Ag1 -137.5(2) . . . 3_667 ?
O18 Mo5 O23 Ag1 -156.2(2) . . . 4_565 ?
O19 Mo5 O23 Ag1 -97.2(4) . . . 4_565 ?
O21 Mo5 O23 Ag1 -0.9(2) . . . 4_565 ?
O21 Mo6 O20 Ag1 -14.5(3) . . . 4_565 ?
O22 Mo5 O23 Ag1 -72.3(2) . . . 4_565 ?
O22 Mo6 O20 Ag1 56.8(2) . . . 4_565 ?
O24 Mo5 O23 Ag1 100.2(2) . . . 4_565 ?
O25 C1 C2 N1 -58.1(5) . . . . ?
O25 C3 C4 N1 56.8(5) . . . . ?
N1 C5 C6 N2 -171.4(4) . . . . ?
C1 O25 C3 C4 -59.7(5) . . . . ?
C2 N1 C4 C3 -53.6(4) . . . . ?
C2 N1 C5 C6 -51.2(5) . . . . ?
C3 O25 C1 C2 59.8(4) . . . . ?
C4 N1 C2 C1 54.7(5) . . . . ?
C4 N1 C5 C6 -175.5(4) . . . . ?
C5 N1 C2 C1 -70.7(5) . . . . ?
C5 N1 C4 C3 74.8(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_5
_audit_block_doi                 10.5517/ccdc.csd.cc293hmk
_database_code_depnum_ccdc_archive 'CCDC 2118528'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-25 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H26 Co Cr Mo6 N5 O26, 4.5(H2 O)'
_chemical_formula_sum            'C13 H35 Co Cr Mo6 N5 O30.50'
_chemical_formula_weight         1436.03
_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'
Cr Cr 0.3209 0.6236 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5467(8)
_cell_length_b                   13.0814(8)
_cell_length_c                   13.5348(8)
_cell_angle_alpha                73.0310(10)
_cell_angle_beta                 62.7140(10)
_cell_angle_gamma                87.4610(10)
_cell_volume                     1877.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3317
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.286
_cell_measurement_theta_min      2.328
_shelx_estimated_absorpt_T_max   0.810
_shelx_estimated_absorpt_T_min   0.770
_exptl_absorpt_coefficient_mu    2.753
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6981
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0424 before and 0.0326 after correction.
The Ratio of minimum to maximum transmission is 0.9362.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.540
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1390
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0654
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14022
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.343
_diffrn_reflns_theta_min         1.837
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6740
_reflns_number_total             9305
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.590
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         9305
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0406
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0341P)²+1.7613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0911
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O7W) \\sim Ueq, Uanis(O3W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O5W) \\sim Ueq, Uanis(O2W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O4W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O2W(0.5) H2WA(0.5) H2WB(0.5) O4W(0.5) H4WA(0.5) H4WB(0.5)
 O4WA(0.5) H4WC(0.5) H4WD(0.5) O5W(0.5) H5WA(0.5) H5WB(0.5) O6W(0.5) H6WA(0.5)
 H6WB(0.5)
4.a Riding coordinates:
 O1W(H1WA,H1WB), O5(H5), O6(H6), O11(H11), O22(H22), O23(H23), O24(H24),
 C10(H10A,H10B), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O4WA(H4WC,
 H4WD), O5W(H5WA,H5WB), O6W(H6WA,H6WB), O7W(H7WA,H7WB)
4.b Ternary CH refined with riding coordinates:
 N5(H5A)
4.c Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B)
4.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7)
;
_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
Mo1 Mo 0.35646(4) -0.07540(4) 0.87058(4) 0.01889(11) Uani 1 1 d . . . . .
Mo2 Mo 0.59456(4) 0.10865(4) 0.71352(4) 0.01620(10) Uani 1 1 d . . . . .
Mo3 Mo 0.72812(4) 0.19272(4) 0.84474(4) 0.01683(11) Uani 1 1 d . . . . .
Mo4 Mo 0.35870(4) 0.33403(4) 1.27520(4) 0.01882(11) Uani 1 1 d . . . . .
Mo5 Mo 0.28731(4) 0.30838(4) 1.07315(4) 0.01682(10) Uani 1 1 d . . . . .
Mo6 Mo 0.43695(4) 0.46757(4) 0.79976(4) 0.01774(11) Uani 1 1 d . . . . .
Co1 Co 0.61002(6) 0.39016(6) 0.52891(6) 0.01570(15) Uani 1 1 d . . . . .
Cr1 Cr 0.500000 0.000000 1.000000 0.0133(2) Uani 1 2 d S . P . .
Cr2 Cr 0.500000 0.500000 1.000000 0.0138(2) Uani 1 2 d S . P . .
O1 O 0.4018(4) -0.1355(3) 0.7652(3) 0.0351(11) Uani 1 1 d . . . . .
O1W O 0.6603(4) 0.3221(3) 0.3913(3) 0.0359(11) Uani 1 1 d . . . . .
H1WA H 0.674440 0.371620 0.328598 0.054 Uiso 1 1 d R U . . .
H1WB H 0.624640 0.268100 0.393908 0.054 Uiso 1 1 d R U . . .
O2 O 0.2078(4) -0.0614(4) 0.9090(4) 0.0326(10) Uani 1 1 d . . . . .
O3 O 0.3467(3) -0.2010(3) 0.9962(3) 0.0208(8) Uani 1 1 d . . . . .
O4 O 0.4224(3) 0.0708(3) 0.7794(3) 0.0212(8) Uani 1 1 d . . . . .
O5 O 0.4654(3) -0.1466(3) 1.1104(3) 0.0156(8) Uani 1 1 d . . . . .
H5 H 0.520025 -0.187649 1.087632 0.023 Uiso 1 1 d R U . . .
O6 O 0.6670(3) 0.0206(3) 0.9712(3) 0.0164(8) Uani 1 1 d . . . . .
H6 H 0.707664 -0.031327 0.954975 0.025 Uiso 1 1 d R U . . .
O7 O 0.8735(3) 0.1810(3) 0.8195(3) 0.0285(9) Uani 1 1 d . . . . .
O8 O 0.7250(4) 0.3242(3) 0.7782(3) 0.0276(9) Uani 1 1 d . . . . .
O9 O 0.6517(4) 0.0443(3) 0.6112(3) 0.0290(10) Uani 1 1 d . . . . .
O10 O 0.7334(3) 0.1230(3) 0.7350(3) 0.0193(8) Uani 1 1 d . . . . .
O11 O 0.5420(3) -0.0446(3) 0.8601(3) 0.0151(7) Uani 1 1 d . . . . .
H11 H 0.590349 -0.092802 0.854102 0.023 Uiso 1 1 d R U . . .
O12 O 0.5958(3) 0.2396(3) 0.6368(3) 0.0236(9) Uani 1 1 d . . . . .
O13 O 0.5403(4) 0.4376(3) 0.6770(3) 0.0252(9) Uani 1 1 d . . . . .
O14 O 0.4054(3) 0.3257(3) 0.9101(3) 0.0189(8) Uani 1 1 d . . . . .
O15 O 0.3049(4) 0.4752(3) 0.7932(3) 0.0308(10) Uani 1 1 d . . . . .
O16 O 0.4840(3) 0.6198(3) 0.7501(3) 0.0207(8) Uani 1 1 d . . . . .
O17 O 0.2907(4) 0.1711(3) 1.1175(3) 0.0261(9) Uani 1 1 d . . . . .
O18 O 0.1572(4) 0.3277(3) 1.0618(3) 0.0275(9) Uani 1 1 d . . . . .
O19 O 0.3563(4) 0.1993(3) 1.3234(4) 0.0387(11) Uani 1 1 d . . . . .
O20 O 0.2660(4) 0.3691(4) 1.3964(3) 0.0316(10) Uani 1 1 d . . . . .
O21 O 0.2463(3) 0.3437(3) 1.2106(3) 0.0202(8) Uani 1 1 d . . . . .
O22 O 0.3559(3) 0.4844(3) 0.9802(3) 0.0157(7) Uani 1 1 d . . . . .
H22 H 0.307936 0.531661 0.997864 0.024 Uiso 1 1 d R U . . .
O23 O 0.5348(3) 0.6569(3) 0.9201(3) 0.0153(7) Uani 1 1 d . . . . .
H23 H 0.474197 0.692016 0.943860 0.023 Uiso 1 1 d R U . . .
O24 O 0.5877(3) 0.4874(3) 0.8425(3) 0.0148(7) Uani 1 1 d . . . . .
H24 H 0.640495 0.443214 0.835684 0.022 Uiso 1 1 d R U . . .
O25 O 0.9997(5) 1.1192(4) 0.3788(5) 0.0533(14) Uani 1 1 d . . . . .
N1 N 0.5705(4) 0.6334(3) 0.4289(4) 0.0202(10) Uani 1 1 d . . . . .
N2 N 0.6408(4) 0.5535(3) 0.4376(4) 0.0147(9) Uani 1 1 d . . . . .
N3 N 0.7987(4) 0.4260(4) 0.4685(4) 0.0203(10) Uani 1 1 d . . . . .
N4 N 0.7549(4) 0.7057(3) 0.3592(4) 0.0218(10) Uani 1 1 d . . . . .
N5 N 0.9020(5) 0.9710(4) 0.3142(4) 0.0306(12) Uani 1 1 d . . . . .
H5A H 0.957692 0.986431 0.230787 0.037 Uiso 1 1 calc R U . . .
C1 C 0.8729(5) 0.3532(5) 0.4792(5) 0.0300(14) Uani 1 1 d . . . . .
H1 H 0.840308 0.283464 0.527004 0.036 Uiso 1 1 calc R U . . .
C2 C 0.9962(6) 0.3768(5) 0.4224(6) 0.0395(17) Uani 1 1 d . . . . .
H2 H 1.046145 0.324085 0.431340 0.047 Uiso 1 1 calc R U . . .
C3 C 1.0438(6) 0.4800(5) 0.3523(6) 0.0414(18) Uani 1 1 d . . . . .
H3 H 1.126902 0.497787 0.313049 0.050 Uiso 1 1 calc R U . . .
C4 C 0.9686(5) 0.5575(5) 0.3399(6) 0.0326(15) Uani 1 1 d . . . . .
H4 H 0.999661 0.627562 0.292181 0.039 Uiso 1 1 calc R U . . .
C5 C 0.8465(5) 0.5275(4) 0.4002(5) 0.0200(11) Uani 1 1 d . . . . .
C6 C 0.7531(5) 0.5970(4) 0.3957(4) 0.0169(11) Uani 1 1 d . . . . .
C7 C 0.6406(5) 0.7238(5) 0.3810(5) 0.0277(13) Uani 1 1 d . . . . .
H7 H 0.615059 0.791560 0.364317 0.033 Uiso 1 1 calc R U . . .
C8 C 0.8548(6) 0.7869(5) 0.3179(6) 0.0363(16) Uani 1 1 d . . . . .
H8A H 0.904361 0.802890 0.234177 0.044 Uiso 1 1 calc R U . . .
H8B H 0.904696 0.759863 0.355286 0.044 Uiso 1 1 calc R U . . .
C9 C 0.8047(6) 0.8880(5) 0.3464(6) 0.0354(15) Uani 1 1 d . . . . .
H9A H 0.759216 0.917009 0.304631 0.043 Uiso 1 1 calc R U . . .
H9B H 0.749969 0.870140 0.429337 0.043 Uiso 1 1 calc R U . . .
C10 C 0.9728(6) 0.9370(5) 0.3798(6) 0.0363(16) Uani 1 1 d . . . . .
H10A H 1.029704 0.896596 0.345865 0.044 Uiso 1 1 d R U . . .
H10B H 0.919124 0.913646 0.463165 0.044 Uiso 1 1 d R U . . .
C11 C 0.8468(6) 1.0720(5) 0.3336(6) 0.0390(16) Uani 1 1 d . . . . .
H11A H 0.783200 1.056241 0.413446 0.047 Uiso 1 1 calc R U . . .
H11B H 0.811139 1.099140 0.282015 0.047 Uiso 1 1 calc R U . . .
C12 C 0.9404(7) 1.1564(6) 0.3106(7) 0.049(2) Uani 1 1 d . . . . .
H12A H 0.999256 1.177429 0.228599 0.059 Uiso 1 1 calc R U . . .
H12B H 0.901756 1.219494 0.327521 0.059 Uiso 1 1 calc R U . . .
C13 C 1.0609(7) 1.0302(6) 0.3493(6) 0.049(2) Uani 1 1 d . . . . .
H13A H 1.107680 1.007923 0.390947 0.059 Uiso 1 1 calc R U . . .
H13B H 1.116157 1.051551 0.266251 0.059 Uiso 1 1 calc R U . . .
O2W O 0.8993(10) 0.3962(10) 0.1614(11) 0.074(4) Uani 0.5 1 d . U P . .
H2WA H 0.971676 0.421538 0.121958 0.111 Uiso 0.5 1 d R U P . .
H2WB H 0.845596 0.437048 0.162438 0.111 Uiso 0.5 1 d R U P . .
O3W O 1.0560(6) 1.0390(5) 0.0807(4) 0.081(2) Uani 1 1 d . U . . .
H3WA H 1.091090 1.001635 0.035093 0.121 Uiso 1 1 d R U . . .
H3WB H 1.089270 1.102745 0.035413 0.121 Uiso 1 1 d R U . . .
O4W O 0.4945(14) 0.8544(9) 0.5361(12) 0.049(4) Uani 0.5 1 d . U P A 1
H4WA H 0.440238 0.882232 0.519075 0.073 Uiso 0.5 1 d R U P A 1
H4WB H 0.479158 0.866972 0.599285 0.073 Uiso 0.5 1 d R U P A 1
O4WA O 0.5225(13) 0.9121(11) 0.5128(12) 0.058(4) Uani 0.5 1 d . . P B 2
H4WC H 0.506159 0.895575 0.586000 0.087 Uiso 0.5 1 d R U P B 2
H4WD H 0.471069 0.932505 0.492330 0.087 Uiso 0.5 1 d R U P B 2
O5W O 0.9507(15) 0.7163(19) 0.0703(14) 0.157(7) Uani 0.5 1 d . U P . .
H5WA H 0.914117 0.690365 0.043224 0.235 Uiso 0.5 1 d R U P . .
H5WB H 0.951907 0.784294 0.048074 0.235 Uiso 0.5 1 d R U P . .
O6W O 1.2226(12) 1.1929(10) -0.1147(10) 0.077(4) Uani 0.5 1 d . . P . .
H6WA H 1.252558 1.243926 -0.102921 0.115 Uiso 0.5 1 d R U P . .
H6WB H 1.278648 1.158936 -0.149851 0.115 Uiso 0.5 1 d R U P . .
O7W O 0.8026(6) 0.3711(5) 0.9963(7) 0.098(3) Uani 1 1 d . U . . .
H7WA H 0.765228 0.317043 0.998651 0.148 Uiso 1 1 d R U . . .
H7WB H 0.872579 0.355083 0.982571 0.148 Uiso 1 1 d R U . . .


_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
Mo1 O1 1.688(4) . ?
Mo1 O2 1.709(4) . ?
Mo1 O3 1.949(4) . ?
Mo1 O4 1.921(4) . ?
Mo1 O6 2.343(3) 2_657 ?
Mo1 O11 2.314(3) . ?
Mo2 O4 1.944(4) . ?
Mo2 O5 2.346(3) 2_657 ?
Mo2 O9 1.689(4) . ?
Mo2 O10 1.919(4) . ?
Mo2 O11 2.233(3) . ?
Mo2 O12 1.721(4) . ?
Mo3 O3 1.950(4) 2_657 ?
Mo3 O5 2.279(3) 2_657 ?
Mo3 O6 2.300(3) . ?
Mo3 O7 1.704(4) . ?
Mo3 O8 1.701(4) . ?
Mo3 O10 1.933(4) . ?
Mo4 O16 1.935(4) 2_667 ?
Mo4 O19 1.688(4) . ?
Mo4 O20 1.701(4) . ?
Mo4 O21 1.954(4) . ?
Mo4 O23 2.319(3) 2_667 ?
Mo4 O24 2.331(3) 2_667 ?
Mo5 O14 1.964(3) . ?
Mo5 O17 1.725(4) . ?
Mo5 O18 1.709(4) . ?
Mo5 O21 1.882(4) . ?
Mo5 O22 2.263(3) . ?
Mo5 O23 2.345(3) 2_667 ?
Mo6 O13 1.719(4) . ?
Mo6 O14 1.933(4) . ?
Mo6 O15 1.696(4) . ?
Mo6 O16 1.929(4) . ?
Mo6 O22 2.250(3) . ?
Mo6 O24 2.261(3) . ?
Co1 O1W 2.122(4) . ?
Co1 O12 2.039(4) . ?
Co1 O13 2.059(4) . ?
Co1 N1 2.080(5) 2_666 ?
Co1 N2 2.083(4) . ?
Co1 N3 2.144(4) . ?
Cr1 O5 1.977(3) 2_657 ?
Cr1 O5 1.977(3) . ?
Cr1 O6 1.963(3) . ?
Cr1 O6 1.963(3) 2_657 ?
Cr1 O11 1.976(3) 2_657 ?
Cr1 O11 1.976(3) . ?
Cr2 O22 1.972(3) 2_667 ?
Cr2 O22 1.972(3) . ?
Cr2 O23 1.981(3) 2_667 ?
Cr2 O23 1.981(3) . ?
Cr2 O24 1.955(3) . ?
Cr2 O24 1.955(3) 2_667 ?
O1W H1WA 0.8497 . ?
O1W H1WB 0.8361 . ?
O5 H5 0.8500 . ?
O6 H6 0.8502 . ?
O11 H11 0.8499 . ?
O22 H22 0.8501 . ?
O23 H23 0.8501 . ?
O24 H24 0.8496 . ?
O25 C12 1.407(9) . ?
O25 C13 1.420(9) . ?
N1 N2 1.351(6) . ?
N1 C7 1.309(7) . ?
N2 C6 1.334(6) . ?
N3 C1 1.326(7) . ?
N3 C5 1.350(7) . ?
N4 C6 1.360(7) . ?
N4 C7 1.349(7) . ?
N4 C8 1.463(7) . ?
N5 H5A 0.9800 . ?
N5 C9 1.488(7) . ?
N5 C10 1.494(8) . ?
N5 C11 1.500(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.376(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.380(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.374(8) . ?
C5 C6 1.463(7) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.515(9) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.8982 . ?
C10 H10B 0.9699 . ?
C10 C13 1.512(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.508(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
O2W H2WA 0.8360 . ?
O2W H2WB 0.8384 . ?
O3W H3WA 0.8497 . ?
O3W H3WB 0.8620 . ?
O4W H4WA 0.8501 . ?
O4W H4WB 0.8506 . ?
O4WA H4WC 0.8736 . ?
O4WA H4WD 0.8188 . ?
O5W H5WA 0.8372 . ?
O5W H5WB 0.8500 . ?
O6W H6WA 0.8661 . ?
O6W H6WB 0.8412 . ?
O7W H7WA 0.8509 . ?
O7W H7WB 0.8396 . ?

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 Mo1 O2 104.4(2) . . ?
O1 Mo1 O3 97.37(18) . . ?
O1 Mo1 O4 101.20(18) . . ?
O1 Mo1 O6 163.83(18) . 2_657 ?
O1 Mo1 O11 98.19(18) . . ?
O2 Mo1 O3 102.03(18) . . ?
O2 Mo1 O4 98.92(18) . . ?
O2 Mo1 O6 89.25(17) . 2_657 ?
O2 Mo1 O11 156.63(17) . . ?
O3 Mo1 O6 70.89(13) . 2_657 ?
O3 Mo1 O11 80.69(13) . . ?
O4 Mo1 O3 147.46(15) . . ?
O4 Mo1 O6 84.86(14) . 2_657 ?
O4 Mo1 O11 70.44(14) . . ?
O11 Mo1 O6 69.50(12) . 2_657 ?
O4 Mo2 O5 82.54(14) . 2_657 ?
O4 Mo2 O11 71.90(14) . . ?
O9 Mo2 O4 101.55(18) . . ?
O9 Mo2 O5 160.53(16) . 2_657 ?
O9 Mo2 O10 99.37(19) . . ?
O9 Mo2 O11 92.71(16) . . ?
O9 Mo2 O12 104.48(19) . . ?
O10 Mo2 O4 149.78(14) . . ?
O10 Mo2 O5 70.77(14) . 2_657 ?
O10 Mo2 O11 85.61(13) . . ?
O11 Mo2 O5 70.26(12) . 2_657 ?
O12 Mo2 O4 95.86(17) . . ?
O12 Mo2 O5 93.92(15) . 2_657 ?
O12 Mo2 O10 99.75(17) . . ?
O12 Mo2 O11 160.77(16) . . ?
O3 Mo3 O5 83.35(14) 2_657 2_657 ?
O3 Mo3 O6 71.85(14) 2_657 . ?
O5 Mo3 O6 71.04(12) 2_657 . ?
O7 Mo3 O3 100.54(18) . 2_657 ?
O7 Mo3 O5 160.33(16) . 2_657 ?
O7 Mo3 O6 91.69(16) . . ?
O7 Mo3 O10 96.98(18) . . ?
O8 Mo3 O3 96.70(18) . 2_657 ?
O8 Mo3 O5 93.24(16) . 2_657 ?
O8 Mo3 O6 161.18(17) . . ?
O8 Mo3 O7 105.3(2) . . ?
O8 Mo3 O10 102.90(17) . . ?
O10 Mo3 O3 149.15(14) . 2_657 ?
O10 Mo3 O5 72.08(14) . 2_657 ?
O10 Mo3 O6 82.49(13) . . ?
O16 Mo4 O21 147.01(14) 2_667 . ?
O16 Mo4 O23 82.56(14) 2_667 2_667 ?
O16 Mo4 O24 71.30(13) 2_667 2_667 ?
O19 Mo4 O16 100.89(19) . 2_667 ?
O19 Mo4 O20 104.9(2) . . ?
O19 Mo4 O21 100.07(19) . . ?
O19 Mo4 O23 93.82(18) . 2_667 ?
O19 Mo4 O24 162.23(18) . 2_667 ?
O20 Mo4 O16 101.56(18) . 2_667 ?
O20 Mo4 O21 97.29(18) . . ?
O20 Mo4 O23 159.54(17) . 2_667 ?
O20 Mo4 O24 92.46(17) . 2_667 ?
O21 Mo4 O23 70.87(13) . 2_667 ?
O21 Mo4 O24 81.14(13) . 2_667 ?
O23 Mo4 O24 69.67(12) 2_667 2_667 ?
O14 Mo5 O22 71.07(14) . . ?
O14 Mo5 O23 80.26(13) . 2_667 ?
O17 Mo5 O14 93.80(17) . . ?
O17 Mo5 O21 102.31(17) . . ?
O17 Mo5 O22 159.00(16) . . ?
O17 Mo5 O23 92.74(16) . 2_667 ?
O18 Mo5 O14 101.16(17) . . ?
O18 Mo5 O17 106.00(19) . . ?
O18 Mo5 O21 100.88(18) . . ?
O18 Mo5 O22 91.52(16) . . ?
O18 Mo5 O23 161.00(16) . 2_667 ?
O21 Mo5 O14 147.82(15) . . ?
O21 Mo5 O22 85.20(14) . . ?
O21 Mo5 O23 71.40(14) . 2_667 ?
O22 Mo5 O23 70.86(12) . 2_667 ?
O13 Mo6 O14 97.73(17) . . ?
O13 Mo6 O16 99.24(17) . . ?
O13 Mo6 O22 158.19(16) . . ?
O13 Mo6 O24 88.75(16) . . ?
O14 Mo6 O22 71.86(13) . . ?
O14 Mo6 O24 83.88(13) . . ?
O15 Mo6 O13 106.65(19) . . ?
O15 Mo6 O14 99.76(18) . . ?
O15 Mo6 O16 97.84(18) . . ?
O15 Mo6 O22 94.18(16) . . ?
O15 Mo6 O24 163.39(17) . . ?
O16 Mo6 O14 150.86(15) . . ?
O16 Mo6 O22 83.88(14) . . ?
O16 Mo6 O24 73.01(14) . . ?
O22 Mo6 O24 71.41(12) . . ?
O1W Co1 N3 87.25(18) . . ?
O12 Co1 O1W 88.16(16) . . ?
O12 Co1 O13 85.96(16) . . ?
O12 Co1 N1 89.69(16) . 2_666 ?
O12 Co1 N2 167.93(16) . . ?
O12 Co1 N3 95.61(17) . . ?
O13 Co1 O1W 171.31(16) . . ?
O13 Co1 N1 83.33(17) . 2_666 ?
O13 Co1 N2 85.79(16) . . ?
O13 Co1 N3 99.69(17) . . ?
N1 Co1 O1W 90.25(18) 2_666 . ?
N1 Co1 N2 98.08(16) 2_666 . ?
N1 Co1 N3 174.06(17) 2_666 . ?
N2 Co1 O1W 100.96(16) . . ?
N2 Co1 N3 77.13(17) . . ?
O5 Cr1 O5 180.0 . 2_657 ?
O6 Cr1 O5 95.05(14) 2_657 2_657 ?
O6 Cr1 O5 84.95(14) . 2_657 ?
O6 Cr1 O5 95.05(14) . . ?
O6 Cr1 O5 84.95(14) 2_657 . ?
O6 Cr1 O6 180.0 2_657 . ?
O6 Cr1 O11 95.26(14) . . ?
O6 Cr1 O11 95.26(14) 2_657 2_657 ?
O6 Cr1 O11 84.74(14) 2_657 . ?
O6 Cr1 O11 84.74(14) . 2_657 ?
O11 Cr1 O5 96.32(14) 2_657 2_657 ?
O11 Cr1 O5 96.32(14) . . ?
O11 Cr1 O5 83.68(14) . 2_657 ?
O11 Cr1 O5 83.68(14) 2_657 . ?
O11 Cr1 O11 180.0 2_657 . ?
O22 Cr2 O22 180.0 2_667 . ?
O22 Cr2 O23 94.96(14) . . ?
O22 Cr2 O23 85.04(14) . 2_667 ?
O22 Cr2 O23 94.96(14) 2_667 2_667 ?
O22 Cr2 O23 85.04(14) 2_667 . ?
O23 Cr2 O23 180.0 2_667 . ?
O24 Cr2 O22 84.18(14) 2_667 2_667 ?
O24 Cr2 O22 84.18(14) . . ?
O24 Cr2 O22 95.82(14) . 2_667 ?
O24 Cr2 O22 95.82(14) 2_667 . ?
O24 Cr2 O23 95.14(14) 2_667 . ?
O24 Cr2 O23 84.86(14) 2_667 2_667 ?
O24 Cr2 O23 84.86(14) . . ?
O24 Cr2 O23 95.14(14) . 2_667 ?
O24 Cr2 O24 180.0 2_667 . ?
Co1 O1W H1WA 109.4 . . ?
Co1 O1W H1WB 126.1 . . ?
H1WA O1W H1WB 108.7 . . ?
Mo1 O3 Mo3 118.87(19) . 2_657 ?
Mo1 O4 Mo2 118.79(19) . . ?
Mo2 O5 H5 121.7 2_657 . ?
Mo3 O5 Mo2 92.71(12) 2_657 2_657 ?
Mo3 O5 H5 120.9 2_657 . ?
Cr1 O5 Mo2 100.98(15) . 2_657 ?
Cr1 O5 Mo3 102.13(15) . 2_657 ?
Cr1 O5 H5 114.3 . . ?
Mo1 O6 H6 120.8 2_657 . ?
Mo3 O6 Mo1 92.62(13) . 2_657 ?
Mo3 O6 H6 121.3 . . ?
Cr1 O6 Mo1 102.56(15) . 2_657 ?
Cr1 O6 Mo3 101.85(15) . . ?
Cr1 O6 H6 113.8 . . ?
Mo2 O10 Mo3 120.71(19) . . ?
Mo1 O11 H11 120.7 . . ?
Mo2 O11 Mo1 94.04(12) . . ?
Mo2 O11 H11 119.2 . . ?
Cr1 O11 Mo1 103.19(15) . . ?
Cr1 O11 Mo2 105.01(15) . . ?
Cr1 O11 H11 112.0 . . ?
Mo2 O12 Co1 173.4(2) . . ?
Mo6 O13 Co1 160.2(2) . . ?
Mo6 O14 Mo5 116.92(19) . . ?
Mo6 O16 Mo4 118.29(19) . 2_667 ?
Mo5 O21 Mo4 121.47(19) . . ?
Mo5 O22 H22 119.3 . . ?
Mo6 O22 Mo5 94.78(13) . . ?
Mo6 O22 H22 120.4 . . ?
Cr2 O22 Mo5 103.59(15) . . ?
Cr2 O22 Mo6 102.12(15) . . ?
Cr2 O22 H22 113.5 . . ?
Mo4 O23 Mo5 91.70(12) 2_667 2_667 ?
Mo4 O23 H23 121.0 2_667 . ?
Mo5 O23 H23 122.7 2_667 . ?
Cr2 O23 Mo4 102.53(15) . 2_667 ?
Cr2 O23 Mo5 100.42(14) . 2_667 ?
Cr2 O23 H23 114.2 . . ?
Mo4 O24 H24 120.7 2_667 . ?
Mo6 O24 Mo4 92.51(12) . 2_667 ?
Mo6 O24 H24 121.4 . . ?
Cr2 O24 Mo4 102.93(15) . 2_667 ?
Cr2 O24 Mo6 102.29(14) . . ?
Cr2 O24 H24 113.3 . . ?
C12 O25 C13 108.8(6) . . ?
N2 N1 Co1 124.5(3) . 2_666 ?
C7 N1 Co1 128.6(4) . 2_666 ?
C7 N1 N2 106.6(4) . . ?
N1 N2 Co1 135.3(3) . . ?
C6 N2 Co1 114.4(3) . . ?
C6 N2 N1 108.7(4) . . ?
C1 N3 Co1 124.6(4) . . ?
C1 N3 C5 118.4(5) . . ?
C5 N3 Co1 116.2(4) . . ?
C6 N4 C8 127.8(5) . . ?
C7 N4 C6 105.3(4) . . ?
C7 N4 C8 126.5(5) . . ?
C9 N5 H5A 108.1 . . ?
C9 N5 C10 113.6(5) . . ?
C9 N5 C11 108.6(5) . . ?
C10 N5 H5A 108.1 . . ?
C10 N5 C11 110.2(5) . . ?
C11 N5 H5A 108.1 . . ?
N3 C1 H1 118.7 . . ?
N3 C1 C2 122.7(6) . . ?
C2 C1 H1 118.7 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.4(6) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.2(6) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 121.1 . . ?
C5 C4 C3 117.8(6) . . ?
C5 C4 H4 121.1 . . ?
N3 C5 C4 122.5(5) . . ?
N3 C5 C6 111.6(5) . . ?
C4 C5 C6 125.8(5) . . ?
N2 C6 N4 108.2(5) . . ?
N2 C6 C5 119.7(5) . . ?
N4 C6 C5 132.0(5) . . ?
N1 C7 N4 111.1(5) . . ?
N1 C7 H7 124.4 . . ?
N4 C7 H7 124.4 . . ?
N4 C8 H8A 109.8 . . ?
N4 C8 H8B 109.8 . . ?
N4 C8 C9 109.3(5) . . ?
H8A C8 H8B 108.3 . . ?
C9 C8 H8A 109.8 . . ?
C9 C8 H8B 109.8 . . ?
N5 C9 C8 111.8(5) . . ?
N5 C9 H9A 109.2 . . ?
N5 C9 H9B 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
N5 C10 H10A 109.7 . . ?
N5 C10 H10B 110.2 . . ?
N5 C10 C13 109.3(5) . . ?
H10A C10 H10B 121.4 . . ?
C13 C10 H10A 95.1 . . ?
C13 C10 H10B 109.8 . . ?
N5 C11 H11A 109.5 . . ?
N5 C11 H11B 109.5 . . ?
N5 C11 C12 110.8(6) . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
O25 C12 C11 111.9(6) . . ?
O25 C12 H12A 109.2 . . ?
O25 C12 H12B 109.2 . . ?
C11 C12 H12A 109.2 . . ?
C11 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
O25 C13 C10 111.1(6) . . ?
O25 C13 H13A 109.4 . . ?
O25 C13 H13B 109.4 . . ?
C10 C13 H13A 109.4 . . ?
C10 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
H2WA O2W H2WB 119.2 . . ?
H3WA O3W H3WB 101.2 . . ?
H4WA O4W H4WB 104.5 . . ?
H4WC O4WA H4WD 121.0 . . ?
H5WA O5W H5WB 108.1 . . ?
H6WA O6W H6WB 109.2 . . ?
H7WA O7W H7WB 106.6 . . ?

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 N2 Co1 -20.4(7) 2_666 . . . ?
Co1 N1 N2 C6 175.6(3) 2_666 . . . ?
Co1 N1 C7 N4 -175.3(4) 2_666 . . . ?
Co1 N2 C6 N4 -168.1(3) . . . . ?
Co1 N2 C6 C5 9.3(6) . . . . ?
Co1 N3 C1 C2 168.7(5) . . . . ?
Co1 N3 C5 C4 -169.1(5) . . . . ?
Co1 N3 C5 C6 8.3(6) . . . . ?
O14 Mo5 O21 Mo4 -49.1(4) . . . . ?
O14 Mo6 O13 Co1 88.7(7) . . . . ?
O15 Mo6 O13 Co1 -14.0(7) . . . . ?
O16 Mo6 O13 Co1 -115.1(7) . . . . ?
O17 Mo5 O21 Mo4 69.2(2) . . . . ?
O18 Mo5 O21 Mo4 178.4(2) . . . . ?
O22 Mo5 O21 Mo4 -91.0(2) . . . . ?
O22 Mo6 O13 Co1 148.2(5) . . . . ?
O23 Mo5 O21 Mo4 -19.59(18) 2_667 . . . ?
O24 Mo6 O13 Co1 172.3(7) . . . . ?
N1 N2 C6 N4 -0.4(6) . . . . ?
N1 N2 C6 C5 177.1(4) . . . . ?
N2 N1 C7 N4 -0.7(6) . . . . ?
N3 C1 C2 C3 0.2(11) . . . . ?
N3 C5 C6 N2 -11.8(7) . . . . ?
N3 C5 C6 N4 165.0(5) . . . . ?
N4 C8 C9 N5 175.8(5) . . . . ?
N5 C10 C13 O25 59.9(7) . . . . ?
N5 C11 C12 O25 -56.0(8) . . . . ?
C1 N3 C5 C4 1.4(8) . . . . ?
C1 N3 C5 C6 178.8(5) . . . . ?
C1 C2 C3 C4 0.0(11) . . . . ?
C2 C3 C4 C5 0.5(11) . . . . ?
C3 C4 C5 N3 -1.2(10) . . . . ?
C3 C4 C5 C6 -178.2(6) . . . . ?
C4 C5 C6 N2 165.5(6) . . . . ?
C4 C5 C6 N4 -17.8(10) . . . . ?
C5 N3 C1 C2 -0.9(9) . . . . ?
C6 N4 C7 N1 0.4(6) . . . . ?
C6 N4 C8 C9 -150.4(6) . . . . ?
C7 N1 N2 Co1 164.7(4) . . . . ?
C7 N1 N2 C6 0.6(6) . . . . ?
C7 N4 C6 N2 0.0(6) . . . . ?
C7 N4 C6 C5 -177.1(6) . . . . ?
C7 N4 C8 C9 21.7(9) . . . . ?
C8 N4 C6 N2 173.4(5) . . . . ?
C8 N4 C6 C5 -3.6(10) . . . . ?
C8 N4 C7 N1 -173.1(5) . . . . ?
C9 N5 C10 C13 -174.7(5) . . . . ?
C9 N5 C11 C12 175.9(5) . . . . ?
C10 N5 C9 C8 -62.7(7) . . . . ?
C10 N5 C11 C12 50.8(7) . . . . ?
C11 N5 C9 C8 174.3(6) . . . . ?
C11 N5 C10 C13 -52.5(7) . . . . ?
C12 O25 C13 C10 -64.0(7) . . . . ?
C13 O25 C12 C11 61.8(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_1
_audit_block_doi                 10.5517/ccdc.csd.cc28l2rq
_database_code_depnum_ccdc_archive 'CCDC 2102753'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-25 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H24 Ag2 Cr Mo6 N5 O25, H2 O'
_chemical_formula_sum            'C13 H26 Ag2 Cr Mo6 N5 O26'
_chemical_formula_weight         1511.77
_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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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                   10.7940(3)
_cell_length_b                   12.5807(4)
_cell_length_c                   25.2421(7)
_cell_angle_alpha                90
_cell_angle_beta                 99.2840(10)
_cell_angle_gamma                90
_cell_volume                     3382.88(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.378
_cell_measurement_theta_min      2.729
_shelx_estimated_absorpt_T_max   0.709
_shelx_estimated_absorpt_T_min   0.646
_exptl_absorpt_coefficient_mu    3.690
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0774 before and 0.0272 after correction.
The Ratio of minimum to maximum transmission is 0.7915.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    2.968
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2868
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24895
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.448
_diffrn_reflns_theta_min         1.813
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7316
_reflns_number_total             8519
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         8519
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0191P)²+4.2237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0509
_refine_ls_wR_factor_ref         0.0534
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Riding coordinates:
 O6(H6), O8(H8), O9(H9), O16(H16), O17(H17), O18(H18)
2.b Free rotating group:
 O1W(H1WA,H1WB)
2.c Ternary CH refined with riding coordinates:
 N5(H5)
2.d Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
2.e Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7)
;
_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
Ag1 Ag 0.50766(2) 0.69893(2) 0.54029(2) 0.02870(7) Uani 1 1 d . . . . .
Ag2 Ag 0.97339(3) 0.62171(2) 0.93679(2) 0.03468(7) Uani 1 1 d . . . . .
Mo1 Mo -0.08647(3) 0.66772(2) 0.39835(2) 0.01789(6) Uani 1 1 d . . . . .
Mo2 Mo 0.21842(2) 0.61302(2) 0.43705(2) 0.01844(6) Uani 1 1 d . . . . .
Mo3 Mo 0.30251(2) 0.44427(2) 0.53865(2) 0.01881(6) Uani 1 1 d . . . . .
Mo4 Mo 1.23711(2) 0.55991(2) 1.04538(2) 0.01867(6) Uani 1 1 d . . . . .
Mo5 Mo 1.22987(2) 0.39992(2) 0.93907(2) 0.01840(6) Uani 1 1 d . . . . .
Mo6 Mo 1.49630(2) 0.32846(2) 0.89820(2) 0.01739(6) Uani 1 1 d . . . . .
Cr1 Cr 0.000000 0.500000 0.500000 0.01347(14) Uani 1 2 d S . P . .
Cr2 Cr 1.500000 0.500000 1.000000 0.01379(14) Uani 1 2 d S . P . .
O1 O 0.4211(2) 0.5263(2) 0.56719(11) 0.0327(6) Uani 1 1 d . . . . .
O2 O 0.3414(2) 0.69341(19) 0.46209(11) 0.0276(5) Uani 1 1 d . . . . .
O3 O 0.0798(2) 0.71283(16) 0.43328(10) 0.0205(5) Uani 1 1 d . . . . .
O4 O 0.2274(2) 0.59744(19) 0.37107(10) 0.0285(5) Uani 1 1 d . . . . .
O5 O 0.28580(19) 0.47843(17) 0.46364(10) 0.0215(5) Uani 1 1 d . . . . .
O6 O 0.15890(18) 0.57847(16) 0.52017(9) 0.0157(4) Uani 1 1 d . . . . .
H6 H 0.154265 0.628188 0.542560 0.024 Uiso 1 1 d R U . . .
O7 O 0.3704(2) 0.32219(19) 0.53660(11) 0.0292(6) Uani 1 1 d . . . . .
O8 O -0.10722(18) 0.62788(16) 0.48671(9) 0.0160(4) Uani 1 1 d . . . . .
H8 H -0.094157 0.674251 0.511495 0.024 Uiso 1 1 d R U . . .
O9 O 0.02755(18) 0.51988(16) 0.42540(9) 0.0163(4) Uani 1 1 d . . . . .
H9 H 0.017235 0.463204 0.406873 0.024 Uiso 1 1 d R U . . .
O10 O -0.22474(19) 0.57249(17) 0.39703(9) 0.0206(5) Uani 1 1 d . . . . .
O11 O -0.1579(2) 0.78863(18) 0.40231(10) 0.0287(6) Uani 1 1 d . . . . .
O12 O -0.0640(2) 0.65760(19) 0.33307(10) 0.0308(6) Uani 1 1 d . . . . .
O13 O 1.1078(2) 0.47240(19) 0.90549(11) 0.0297(6) Uani 1 1 d . . . . .
O14 O 1.0972(2) 0.61866(19) 1.01744(11) 0.0278(6) Uani 1 1 d . . . . .
O15 O 1.3415(2) 0.68563(17) 1.05696(9) 0.0208(5) Uani 1 1 d . . . . .
O16 O 1.44028(18) 0.50542(16) 1.06932(9) 0.0167(4) Uani 1 1 d . . . . .
H16 H 1.458789 0.450017 1.088220 0.025 Uiso 1 1 d R U . . .
O17 O 1.42968(18) 0.35763(15) 0.98068(9) 0.0153(4) Uani 1 1 d . . . . .
H17 H 1.442924 0.312348 1.005940 0.023 Uiso 1 1 d R U . . .
O18 O 1.33075(18) 0.55126(16) 0.97030(9) 0.0164(4) Uani 1 1 d . . . . .
H18 H 1.330316 0.604867 0.949777 0.025 Uiso 1 1 d R U . . .
O19 O 1.20815(19) 0.42105(17) 1.01287(10) 0.0216(5) Uani 1 1 d . . . . .
O20 O 1.33927(19) 0.40281(17) 0.88560(9) 0.0199(5) Uani 1 1 d . . . . .
O21 O 1.5391(2) 0.3510(2) 0.83734(10) 0.0287(5) Uani 1 1 d . . . . .
O22 O 1.4511(2) 0.19686(18) 0.89866(10) 0.0269(5) Uani 1 1 d . . . . .
O23 O 1.1860(2) 0.26942(18) 0.93098(11) 0.0285(6) Uani 1 1 d . . . . .
O24 O 1.2174(2) 0.5263(2) 1.10873(10) 0.0285(5) Uani 1 1 d . . . . .
O25 O 1.3174(4) 1.1917(3) 0.76395(17) 0.0714(12) Uani 1 1 d . . . . .
N1 N 0.6142(3) 0.7232(2) 0.62567(12) 0.0284(7) Uani 1 1 d . . . . .
N2 N 0.8455(3) 0.6673(2) 0.81363(13) 0.0337(7) Uani 1 1 d . . . . .
N3 N 0.9254(3) 0.6997(3) 0.85923(13) 0.0338(7) Uani 1 1 d . . . . .
N4 N 0.9125(3) 0.8287(2) 0.80090(12) 0.0254(6) Uani 1 1 d . . . . .
N5 N 1.1247(3) 1.0332(2) 0.75480(14) 0.0333(7) Uani 1 1 d . . . . .
H5 H 1.060659 1.061972 0.726510 0.040 Uiso 1 1 calc R U . . .
C1 C 0.7050(4) 0.6534(3) 0.64249(16) 0.0367(9) Uani 1 1 d . . . . .
H1 H 0.718301 0.598075 0.619623 0.044 Uiso 1 1 calc R U . . .
C2 C 0.5979(3) 0.8024(3) 0.65817(16) 0.0321(9) Uani 1 1 d . . . . .
H2 H 0.535502 0.852105 0.646748 0.038 Uiso 1 1 calc R U . . .
C3 C 0.7800(4) 0.6591(3) 0.69200(16) 0.0348(9) Uani 1 1 d . . . . .
H3 H 0.841272 0.607880 0.702475 0.042 Uiso 1 1 calc R U . . .
C4 C 0.6698(3) 0.8149(3) 0.70873(16) 0.0313(8) Uani 1 1 d . . . . .
H4 H 0.655365 0.871433 0.730652 0.038 Uiso 1 1 calc R U . . .
C5 C 0.7628(3) 0.7418(3) 0.72569(14) 0.0239(7) Uani 1 1 d . . . . .
C6 C 0.8399(3) 0.7464(3) 0.77926(14) 0.0249(7) Uani 1 1 d . . . . .
C7 C 0.9619(4) 0.7951(3) 0.85079(15) 0.0339(9) Uani 1 1 d . . . . .
H7 H 1.015146 0.835394 0.875690 0.041 Uiso 1 1 calc R U . . .
C8 C 0.9426(3) 0.9304(3) 0.77784(16) 0.0292(8) Uani 1 1 d . . . . .
H8A H 0.924914 0.988519 0.800736 0.035 Uiso 1 1 calc R U . . .
H8B H 0.892228 0.939923 0.742698 0.035 Uiso 1 1 calc R U . . .
C9 C 1.0809(3) 0.9290(3) 0.77323(16) 0.0303(8) Uani 1 1 d . . . . .
H9A H 1.129345 0.911604 0.807924 0.036 Uiso 1 1 calc R U . . .
H9B H 1.095810 0.874029 0.748093 0.036 Uiso 1 1 calc R U . . .
C10 C 1.1484(5) 1.1124(3) 0.80127(19) 0.0458(11) Uani 1 1 d . . . . .
H10A H 1.069954 1.128738 0.813595 0.055 Uiso 1 1 calc R U . . .
H10B H 1.205194 1.081462 0.830968 0.055 Uiso 1 1 calc R U . . .
C11 C 1.2042(5) 1.2116(4) 0.7830(2) 0.0649(16) Uani 1 1 d . . . . .
H11A H 1.144863 1.244111 0.754647 0.078 Uiso 1 1 calc R U . . .
H11B H 1.219523 1.261454 0.812661 0.078 Uiso 1 1 calc R U . . .
C12 C 1.2958(5) 1.1228(5) 0.7182(2) 0.0715(17) Uani 1 1 d . . . . .
H12A H 1.373881 1.111993 0.704563 0.086 Uiso 1 1 calc R U . . .
H12B H 1.236380 1.155778 0.690064 0.086 Uiso 1 1 calc R U . . .
C13 C 1.2452(4) 1.0172(4) 0.7327(2) 0.0460(11) Uani 1 1 d . . . . .
H13A H 1.306493 0.982102 0.759358 0.055 Uiso 1 1 calc R U . . .
H13B H 1.229685 0.972151 0.701149 0.055 Uiso 1 1 calc R U . . .
O1W O 1.4301(3) 0.3831(2) 1.17189(16) 0.0506(8) Uani 1 1 d G . . . .
H1WA H 1.350932 0.391653 1.166488 0.076 Uiso 1 1 d G U . . .
H1WB H 1.440312 0.316842 1.177427 0.076 Uiso 1 1 d G U . . .


_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
Ag1 O1 2.502(3) . ?
Ag1 O2 2.445(2) . ?
Ag1 O7 2.528(3) 3_666 ?
Ag1 O14 2.591(2) 4_575 ?
Ag1 O23 2.485(2) 2_656 ?
Ag1 N1 2.294(3) . ?
Ag2 O13 2.574(2) . ?
Ag2 O14 2.248(2) . ?
Ag2 O19 2.559(2) 3_767 ?
Ag2 N3 2.176(3) . ?
Mo1 O3 1.952(2) . ?
Mo1 O8 2.332(2) . ?
Mo1 O9 2.273(2) . ?
Mo1 O10 1.910(2) . ?
Mo1 O11 1.716(2) . ?
Mo1 O12 1.709(3) . ?
Mo2 O2 1.707(2) . ?
Mo2 O3 1.944(2) . ?
Mo2 O4 1.695(3) . ?
Mo2 O5 1.921(2) . ?
Mo2 O6 2.332(2) . ?
Mo2 O9 2.347(2) . ?
Mo3 O1 1.710(2) . ?
Mo3 O5 1.921(2) . ?
Mo3 O6 2.289(2) . ?
Mo3 O7 1.706(2) . ?
Mo3 O8 2.290(2) 3_566 ?
Mo3 O10 1.956(2) 3_566 ?
Mo4 O14 1.726(2) . ?
Mo4 O15 1.937(2) . ?
Mo4 O16 2.284(2) . ?
Mo4 O18 2.290(2) . ?
Mo4 O19 1.934(2) . ?
Mo4 O24 1.700(3) . ?
Mo5 O13 1.711(2) . ?
Mo5 O17 2.304(2) . ?
Mo5 O18 2.270(2) . ?
Mo5 O19 1.933(2) . ?
Mo5 O20 1.932(2) . ?
Mo5 O23 1.712(2) . ?
Mo6 O15 1.933(2) 3_867 ?
Mo6 O16 2.308(2) 3_867 ?
Mo6 O17 2.339(2) . ?
Mo6 O20 1.917(2) . ?
Mo6 O21 1.698(3) . ?
Mo6 O22 1.727(2) . ?
Cr1 O6 1.9732(19) . ?
Cr1 O6 1.9732(19) 3_566 ?
Cr1 O8 1.9787(19) 3_566 ?
Cr1 O8 1.9786(19) . ?
Cr1 O9 1.969(2) 3_566 ?
Cr1 O9 1.969(2) . ?
Cr2 O16 1.961(2) . ?
Cr2 O16 1.961(2) 3_867 ?
Cr2 O17 1.976(2) 3_867 ?
Cr2 O17 1.976(2) . ?
Cr2 O18 1.9682(19) . ?
Cr2 O18 1.9682(19) 3_867 ?
O6 H6 0.8499 . ?
O8 H8 0.8503 . ?
O9 H9 0.8502 . ?
O16 H16 0.8500 . ?
O17 H17 0.8498 . ?
O18 H18 0.8500 . ?
O25 C11 1.406(7) . ?
O25 C12 1.433(7) . ?
N1 C1 1.333(5) . ?
N1 C2 1.321(5) . ?
N2 N3 1.383(4) . ?
N2 C6 1.316(5) . ?
N3 C7 1.293(5) . ?
N4 C6 1.359(4) . ?
N4 C7 1.354(5) . ?
N4 C8 1.463(5) . ?
N5 H5 0.9800 . ?
N5 C9 1.493(5) . ?
N5 C10 1.529(5) . ?
N5 C13 1.508(5) . ?
C1 H1 0.9300 . ?
C1 C3 1.377(5) . ?
C2 H2 0.9300 . ?
C2 C4 1.392(5) . ?
C3 H3 0.9300 . ?
C3 C5 1.376(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.377(5) . ?
C5 C6 1.470(5) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.516(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.492(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.504(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8497 . ?

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 Ag1 O7 112.37(9) . 3_666 ?
O1 Ag1 O14 177.02(9) . 4_575 ?
O2 Ag1 O1 86.37(8) . . ?
O2 Ag1 O7 77.44(8) . 3_666 ?
O2 Ag1 O14 95.57(8) . 4_575 ?
O2 Ag1 O23 72.73(8) . 2_656 ?
O7 Ag1 O14 70.32(8) 3_666 4_575 ?
O23 Ag1 O1 82.06(8) 2_656 . ?
O23 Ag1 O7 145.93(8) 2_656 3_666 ?
O23 Ag1 O14 96.35(8) 2_656 4_575 ?
N1 Ag1 O1 90.74(10) . . ?
N1 Ag1 O2 162.50(10) . . ?
N1 Ag1 O7 119.41(10) . 3_666 ?
N1 Ag1 O14 86.73(9) . 4_575 ?
N1 Ag1 O23 89.78(10) . 2_656 ?
O14 Ag2 O13 89.05(8) . . ?
O14 Ag2 O19 86.43(8) . 3_767 ?
O19 Ag2 O13 120.90(8) 3_767 . ?
N3 Ag2 O13 96.72(11) . . ?
N3 Ag2 O14 147.44(11) . . ?
N3 Ag2 O19 116.81(10) . 3_767 ?
O3 Mo1 O8 81.58(9) . . ?
O3 Mo1 O9 71.85(8) . . ?
O9 Mo1 O8 70.60(7) . . ?
O10 Mo1 O3 148.13(9) . . ?
O10 Mo1 O8 71.73(8) . . ?
O10 Mo1 O9 82.86(8) . . ?
O11 Mo1 O3 96.03(10) . . ?
O11 Mo1 O8 91.23(10) . . ?
O11 Mo1 O9 159.14(10) . . ?
O11 Mo1 O10 101.53(11) . . ?
O12 Mo1 O3 101.20(11) . . ?
O12 Mo1 O8 163.13(10) . . ?
O12 Mo1 O9 94.28(10) . . ?
O12 Mo1 O10 99.69(11) . . ?
O12 Mo1 O11 104.91(12) . . ?
O2 Mo2 O3 100.48(10) . . ?
O2 Mo2 O5 99.50(10) . . ?
O2 Mo2 O6 95.05(10) . . ?
O2 Mo2 O9 163.07(10) . . ?
O3 Mo2 O6 80.96(9) . . ?
O3 Mo2 O9 70.31(8) . . ?
O4 Mo2 O2 105.54(12) . . ?
O4 Mo2 O3 101.08(11) . . ?
O4 Mo2 O5 99.37(11) . . ?
O4 Mo2 O6 158.44(10) . . ?
O4 Mo2 O9 90.43(10) . . ?
O5 Mo2 O3 146.27(10) . . ?
O5 Mo2 O6 70.43(9) . . ?
O5 Mo2 O9 83.04(8) . . ?
O6 Mo2 O9 69.88(7) . . ?
O1 Mo3 O5 103.01(12) . . ?
O1 Mo3 O6 94.43(10) . . ?
O1 Mo3 O8 161.77(10) . 3_566 ?
O1 Mo3 O10 96.18(12) . 3_566 ?
O5 Mo3 O6 71.42(8) . . ?
O5 Mo3 O8 82.95(9) . 3_566 ?
O5 Mo3 O10 149.04(9) . 3_566 ?
O6 Mo3 O8 70.89(7) . 3_566 ?
O7 Mo3 O1 105.06(12) . . ?
O7 Mo3 O5 98.27(11) . . ?
O7 Mo3 O6 159.72(10) . . ?
O7 Mo3 O8 90.87(10) . 3_566 ?
O7 Mo3 O10 99.92(11) . 3_566 ?
O10 Mo3 O6 83.19(8) 3_566 . ?
O10 Mo3 O8 71.96(8) 3_566 3_566 ?
O14 Mo4 O15 99.29(10) . . ?
O14 Mo4 O16 167.38(11) . . ?
O14 Mo4 O18 98.98(10) . . ?
O14 Mo4 O19 98.20(10) . . ?
O15 Mo4 O16 72.22(8) . . ?
O15 Mo4 O18 80.79(9) . . ?
O16 Mo4 O18 70.83(7) . . ?
O19 Mo4 O15 148.43(10) . . ?
O19 Mo4 O16 85.62(8) . . ?
O19 Mo4 O18 70.64(9) . . ?
O24 Mo4 O14 104.87(12) . . ?
O24 Mo4 O15 102.66(11) . . ?
O24 Mo4 O16 86.40(10) . . ?
O24 Mo4 O18 154.90(10) . . ?
O24 Mo4 O19 97.95(11) . . ?
O13 Mo5 O17 159.85(10) . . ?
O13 Mo5 O18 90.75(9) . . ?
O13 Mo5 O19 101.58(11) . . ?
O13 Mo5 O20 98.78(11) . . ?
O13 Mo5 O23 106.03(12) . . ?
O18 Mo5 O17 70.98(7) . . ?
O19 Mo5 O17 80.94(8) . . ?
O19 Mo5 O18 71.10(8) . . ?
O20 Mo5 O17 71.94(8) . . ?
O20 Mo5 O18 85.05(9) . . ?
O20 Mo5 O19 148.60(9) . . ?
O23 Mo5 O17 93.06(10) . . ?
O23 Mo5 O18 162.48(10) . . ?
O23 Mo5 O19 99.95(11) . . ?
O23 Mo5 O20 97.07(11) . . ?
O15 Mo6 O16 71.73(8) 3_867 3_867 ?
O15 Mo6 O17 82.67(9) 3_867 . ?
O16 Mo6 O17 69.99(7) 3_867 . ?
O20 Mo6 O15 146.58(10) . 3_867 ?
O20 Mo6 O16 79.68(8) . 3_867 ?
O20 Mo6 O17 71.37(8) . . ?
O21 Mo6 O15 101.07(11) . 3_867 ?
O21 Mo6 O16 93.56(10) . 3_867 ?
O21 Mo6 O17 161.27(10) . . ?
O21 Mo6 O20 97.54(11) . . ?
O21 Mo6 O22 106.52(12) . . ?
O22 Mo6 O15 97.93(10) . 3_867 ?
O22 Mo6 O16 159.03(10) . 3_867 ?
O22 Mo6 O17 90.96(10) . . ?
O22 Mo6 O20 103.06(10) . . ?
O6 Cr1 O6 180.0 3_566 . ?
O6 Cr1 O8 84.42(8) . 3_566 ?
O6 Cr1 O8 95.58(8) 3_566 3_566 ?
O6 Cr1 O8 95.58(8) . . ?
O6 Cr1 O8 84.42(8) 3_566 . ?
O8 Cr1 O8 180.0 . 3_566 ?
O9 Cr1 O6 85.65(9) . . ?
O9 Cr1 O6 94.35(9) . 3_566 ?
O9 Cr1 O6 94.35(9) 3_566 . ?
O9 Cr1 O6 85.65(9) 3_566 3_566 ?
O9 Cr1 O8 95.22(9) 3_566 . ?
O9 Cr1 O8 95.22(9) . 3_566 ?
O9 Cr1 O8 84.78(9) . . ?
O9 Cr1 O8 84.78(9) 3_566 3_566 ?
O9 Cr1 O9 180.0 . 3_566 ?
O16 Cr2 O16 180.0 . 3_867 ?
O16 Cr2 O17 94.78(9) . . ?
O16 Cr2 O17 85.22(9) 3_867 . ?
O16 Cr2 O17 85.23(9) . 3_867 ?
O16 Cr2 O17 94.77(9) 3_867 3_867 ?
O16 Cr2 O18 84.84(9) . . ?
O16 Cr2 O18 95.17(9) 3_867 . ?
O16 Cr2 O18 95.16(9) . 3_867 ?
O16 Cr2 O18 84.84(9) 3_867 3_867 ?
O17 Cr2 O17 180.0 . 3_867 ?
O18 Cr2 O17 84.66(8) . . ?
O18 Cr2 O17 95.34(8) . 3_867 ?
O18 Cr2 O17 84.66(8) 3_867 3_867 ?
O18 Cr2 O17 95.34(8) 3_867 . ?
O18 Cr2 O18 180.00(5) . 3_867 ?
Mo3 O1 Ag1 134.15(14) . . ?
Mo2 O2 Ag1 137.85(13) . . ?
Mo2 O3 Mo1 118.60(11) . . ?
Mo2 O5 Mo3 120.77(12) . . ?
Mo2 O6 H6 121.0 . . ?
Mo3 O6 Mo2 92.58(8) . . ?
Mo3 O6 H6 121.2 . . ?
Cr1 O6 Mo2 102.43(9) . . ?
Cr1 O6 Mo3 102.45(8) . . ?
Cr1 O6 H6 113.4 . . ?
Mo3 O7 Ag1 113.41(13) . 3_666 ?
Mo1 O8 H8 121.7 . . ?
Mo3 O8 Mo1 92.51(7) 3_566 . ?
Mo3 O8 H8 120.9 3_566 . ?
Cr1 O8 Mo1 101.13(9) . . ?
Cr1 O8 Mo3 102.24(8) . 3_566 ?
Cr1 O8 H8 114.2 . . ?
Mo1 O9 Mo2 92.92(7) . . ?
Mo1 O9 H9 120.3 . . ?
Mo2 O9 H9 121.5 . . ?
Cr1 O9 Mo1 103.49(9) . . ?
Cr1 O9 Mo2 102.04(8) . . ?
Cr1 O9 H9 113.1 . . ?
Mo1 O10 Mo3 119.47(11) . 3_566 ?
Mo5 O13 Ag2 131.61(13) . . ?
Ag2 O14 Ag1 89.88(8) . 4_676 ?
Mo4 O14 Ag1 128.42(12) . 4_676 ?
Mo4 O14 Ag2 136.91(14) . . ?
Mo6 O15 Mo4 117.60(11) 3_867 . ?
Mo4 O16 Mo6 92.25(7) . 3_867 ?
Mo4 O16 H16 121.6 . . ?
Mo6 O16 H16 120.9 3_867 . ?
Cr2 O16 Mo4 102.36(9) . . ?
Cr2 O16 Mo6 103.12(9) . 3_867 ?
Cr2 O16 H16 113.0 . . ?
Mo5 O17 Mo6 91.72(7) . . ?
Mo5 O17 H17 121.9 . . ?
Mo6 O17 H17 121.6 . . ?
Cr2 O17 Mo5 101.38(8) . . ?
Cr2 O17 Mo6 101.59(9) . . ?
Cr2 O17 H17 114.3 . . ?
Mo4 O18 H18 120.5 . . ?
Mo5 O18 Mo4 94.37(8) . . ?
Mo5 O18 H18 119.9 . . ?
Cr2 O18 Mo4 101.94(9) . . ?
Cr2 O18 Mo5 102.78(8) . . ?
Cr2 O18 H18 113.9 . . ?
Mo4 O19 Ag2 93.64(9) . 3_767 ?
Mo5 O19 Ag2 132.17(10) . 3_767 ?
Mo5 O19 Mo4 119.79(11) . . ?
Mo6 O20 Mo5 119.91(11) . . ?
Mo5 O23 Ag1 122.47(13) . 2_646 ?
C11 O25 C12 110.3(4) . . ?
C1 N1 Ag1 116.3(2) . . ?
C2 N1 Ag1 126.0(2) . . ?
C2 N1 C1 117.7(3) . . ?
C6 N2 N3 106.4(3) . . ?
N2 N3 Ag2 129.9(2) . . ?
C7 N3 Ag2 122.2(2) . . ?
C7 N3 N2 107.6(3) . . ?
C6 N4 C8 131.0(3) . . ?
C7 N4 C6 104.6(3) . . ?
C7 N4 C8 124.3(3) . . ?
C9 N5 H5 109.2 . . ?
C9 N5 C10 110.8(3) . . ?
C9 N5 C13 109.5(3) . . ?
C10 N5 H5 109.2 . . ?
C13 N5 H5 109.2 . . ?
C13 N5 C10 108.9(3) . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C3 123.3(4) . . ?
C3 C1 H1 118.3 . . ?
N1 C2 H2 118.5 . . ?
N1 C2 C4 123.0(3) . . ?
C4 C2 H2 118.5 . . ?
C1 C3 H3 120.6 . . ?
C5 C3 C1 118.8(3) . . ?
C5 C3 H3 120.6 . . ?
C2 C4 H4 120.6 . . ?
C5 C4 C2 118.7(3) . . ?
C5 C4 H4 120.6 . . ?
C3 C5 C4 118.5(3) . . ?
C3 C5 C6 119.0(3) . . ?
C4 C5 C6 122.4(3) . . ?
N2 C6 N4 110.4(3) . . ?
N2 C6 C5 122.4(3) . . ?
N4 C6 C5 127.2(3) . . ?
N3 C7 N4 111.0(3) . . ?
N3 C7 H7 124.5 . . ?
N4 C7 H7 124.5 . . ?
N4 C8 H8A 110.2 . . ?
N4 C8 H8B 110.2 . . ?
N4 C8 C9 107.8(3) . . ?
H8A C8 H8B 108.5 . . ?
C9 C8 H8A 110.2 . . ?
C9 C8 H8B 110.2 . . ?
N5 C9 C8 112.3(3) . . ?
N5 C9 H9A 109.1 . . ?
N5 C9 H9B 109.1 . . ?
C8 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
H9A C9 H9B 107.9 . . ?
N5 C10 H10A 109.8 . . ?
N5 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C11 C10 N5 109.5(4) . . ?
C11 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
O25 C11 C10 111.9(4) . . ?
O25 C11 H11A 109.2 . . ?
O25 C11 H11B 109.2 . . ?
C10 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
O25 C12 H12A 109.5 . . ?
O25 C12 H12B 109.5 . . ?
O25 C12 C13 110.9(5) . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
N5 C13 H13A 109.7 . . ?
N5 C13 H13B 109.7 . . ?
C12 C13 N5 109.9(4) . . ?
C12 C13 H13A 109.7 . . ?
C12 C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
H1WA O1W H1WB 104.5 . . ?

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
Ag1 N1 C1 C3 177.9(4) . . . . ?
Ag1 N1 C2 C4 -177.0(3) . . . . ?
Ag2 N3 C7 N4 -175.4(3) . . . . ?
O1 Mo3 O7 Ag1 -79.37(14) . . . 3_666 ?
O3 Mo2 O2 Ag1 121.55(19) . . . . ?
O4 Mo2 O2 Ag1 -133.71(19) . . . . ?
O5 Mo2 O2 Ag1 -31.1(2) . . . . ?
O5 Mo3 O1 Ag1 24.0(2) . . . . ?
O5 Mo3 O7 Ag1 26.57(12) . . . 3_666 ?
O6 Mo2 O2 Ag1 39.84(19) . . . . ?
O6 Mo3 O1 Ag1 -47.94(19) . . . . ?
O6 Mo3 O7 Ag1 84.2(3) . . . 3_666 ?
O7 Mo3 O1 Ag1 126.41(19) . . . . ?
O8 Mo3 O1 Ag1 -83.4(4) 3_566 . . . ?
O8 Mo3 O7 Ag1 109.58(11) 3_566 . . 3_666 ?
O9 Mo2 O2 Ag1 66.2(4) . . . . ?
O10 Mo3 O1 Ag1 -131.55(18) 3_566 . . . ?
O10 Mo3 O7 Ag1 -178.59(10) 3_566 . . 3_666 ?
O13 Mo5 O23 Ag1 -57.92(17) . . . 2_646 ?
O15 Mo4 O14 Ag1 -35.65(18) . . . 4_676 ?
O15 Mo4 O14 Ag2 111.89(19) . . . . ?
O16 Mo4 O14 Ag1 -82.4(5) . . . 4_676 ?
O16 Mo4 O14 Ag2 65.2(5) . . . . ?
O17 Mo5 O13 Ag2 -76.0(4) . . . . ?
O17 Mo5 O23 Ag1 128.63(13) . . . 2_646 ?
O18 Mo4 O14 Ag1 -117.70(15) . . . 4_676 ?
O18 Mo4 O14 Ag2 29.8(2) . . . . ?
O18 Mo5 O13 Ag2 -51.56(16) . . . . ?
O18 Mo5 O23 Ag1 104.8(3) . . . 2_646 ?
O19 Mo4 O14 Ag1 170.74(15) . . . 4_676 ?
O19 Mo4 O14 Ag2 -41.7(2) . . . . ?
O19 Mo5 O13 Ag2 19.29(18) . . . . ?
O19 Mo5 O23 Ag1 47.30(15) . . . 2_646 ?
O20 Mo5 O13 Ag2 -136.67(16) . . . . ?
O20 Mo5 O23 Ag1 -159.20(13) . . . 2_646 ?
O23 Mo5 O13 Ag2 123.31(17) . . . . ?
O24 Mo4 O14 Ag1 70.20(18) . . . 4_676 ?
O24 Mo4 O14 Ag2 -142.25(19) . . . . ?
O25 C12 C13 N5 58.2(6) . . . . ?
N1 C1 C3 C5 -1.3(7) . . . . ?
N1 C2 C4 C5 0.4(6) . . . . ?
N2 N3 C7 N4 -1.2(5) . . . . ?
N3 N2 C6 N4 -0.2(4) . . . . ?
N3 N2 C6 C5 -179.6(3) . . . . ?
N4 C8 C9 N5 -174.7(3) . . . . ?
N5 C10 C11 O25 -58.5(5) . . . . ?
C1 N1 C2 C4 -0.8(6) . . . . ?
C1 C3 C5 C4 0.9(6) . . . . ?
C1 C3 C5 C6 178.1(4) . . . . ?
C2 N1 C1 C3 1.2(6) . . . . ?
C2 C4 C5 C3 -0.4(6) . . . . ?
C2 C4 C5 C6 -177.6(4) . . . . ?
C3 C5 C6 N2 -55.2(5) . . . . ?
C3 C5 C6 N4 125.5(4) . . . . ?
C4 C5 C6 N2 121.9(4) . . . . ?
C4 C5 C6 N4 -57.4(6) . . . . ?
C6 N2 N3 Ag2 174.4(3) . . . . ?
C6 N2 N3 C7 0.9(4) . . . . ?
C6 N4 C7 N3 1.1(5) . . . . ?
C6 N4 C8 C9 -112.2(4) . . . . ?
C7 N4 C6 N2 -0.5(4) . . . . ?
C7 N4 C6 C5 178.9(4) . . . . ?
C7 N4 C8 C9 63.6(5) . . . . ?
C8 N4 C6 N2 176.0(4) . . . . ?
C8 N4 C6 C5 -4.7(6) . . . . ?
C8 N4 C7 N3 -175.7(3) . . . . ?
C9 N5 C10 C11 174.4(4) . . . . ?
C9 N5 C13 C12 -175.4(4) . . . . ?
C10 N5 C9 C8 79.6(4) . . . . ?
C10 N5 C13 C12 -54.2(5) . . . . ?
C11 O25 C12 C13 -61.4(6) . . . . ?
C12 O25 C11 C10 62.0(6) . . . . ?
C13 N5 C9 C8 -160.3(3) . . . . ?
C13 N5 C10 C11 53.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_6
_audit_block_doi                 10.5517/ccdc.csd.cc28l2qp
_database_code_depnum_ccdc_archive 'CCDC 2102752'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2022-03-25 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_audit_creation_date             2022-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H18 Ag Mo4 N5 O14, 2(H2 O)'
_chemical_formula_sum            'C13 H22 Ag Mo4 N5 O16'
_chemical_formula_weight         995.98
_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'
Ag Ag -0.8971 1.1015 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3442(7)
_cell_length_b                   11.1297(7)
_cell_length_c                   12.0308(8)
_cell_angle_alpha                76.0390(10)
_cell_angle_beta                 70.8390(10)
_cell_angle_gamma                79.7540(10)
_cell_volume                     1262.32(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3875
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.339
_cell_measurement_theta_min      2.361
_shelx_estimated_absorpt_T_max   0.769
_shelx_estimated_absorpt_T_min   0.714
_exptl_absorpt_coefficient_mu    2.779
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0586 before and 0.0254 after correction.
The Ratio of minimum to maximum transmission is 0.7963.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.620
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9296
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.383
_diffrn_reflns_theta_min         1.828
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5046
_reflns_number_total             6255
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.228
_refine_diff_density_min         -1.189
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         6255
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0319P)²+2.9425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0785
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O1W) \\sim Ueq, Uanis(O1WA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Others
 Sof(O1WA)=Sof(H1WC)=Sof(H1WD)=1-FVAR(1)
 Sof(O1W)=Sof(H1WA)=Sof(H1WB)=FVAR(1)
4.a Riding coordinates:
 O1W(H1WA,H1WB), O1WA(H1WC,H1WD)
4.b Free rotating group:
 O2W(H2WA,H2WB)
4.c Ternary CH refined with riding coordinates:
 N4(H4)
4.d Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
4.e Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4A), C7(H7)
;
_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
Ag1 Ag 1.14037(4) 0.55962(3) 0.04918(4) 0.03813(10) Uani 1 1 d . . . . .
Mo1 Mo 0.94988(4) 0.30203(4) 0.60583(4) 0.02848(10) Uani 1 1 d . . . . .
Mo2 Mo 1.10454(4) 0.24843(3) 0.30808(3) 0.02630(9) Uani 1 1 d . . . . .
Mo3 Mo 1.15440(4) -0.02020(3) 0.21763(3) 0.02357(9) Uani 1 1 d . . . . .
Mo4 Mo 0.84759(4) 0.03776(3) 0.45299(3) 0.02277(9) Uani 1 1 d . . . . .
O1 O 0.8568(4) 0.4377(3) 0.5680(4) 0.0547(11) Uani 1 1 d . . . . .
O2 O 1.0297(4) 0.3226(4) 0.7024(3) 0.0476(9) Uani 1 1 d . . . . .
O3 O 1.1764(3) -0.1882(3) 0.3160(3) 0.0296(7) Uani 1 1 d . . . . .
O4 O 1.0850(3) 0.2671(3) 0.4708(3) 0.0329(7) Uani 1 1 d . . . . .
O5 O 1.2779(4) 0.2535(3) 0.2551(3) 0.0433(9) Uani 1 1 d . . . . .
O6 O 1.0367(4) 0.3910(3) 0.2507(3) 0.0448(9) Uani 1 1 d . . . . .
O7 O 1.0831(3) 0.1516(3) 0.2037(3) 0.0284(7) Uani 1 1 d . . . . .
O8 O 0.8862(3) 0.1934(3) 0.4123(3) 0.0330(7) Uani 1 1 d . . . . .
O9 O 0.6776(3) 0.0422(4) 0.4710(4) 0.0460(9) Uani 1 1 d . . . . .
O10 O 1.1265(3) 0.0382(3) 0.4012(3) 0.0283(7) Uani 1 1 d . . . . .
O11 O 0.9353(3) -0.0468(3) 0.3371(3) 0.0294(7) Uani 1 1 d . . . . .
O12 O 1.1173(4) -0.0540(3) 0.1016(3) 0.0367(8) Uani 1 1 d . . . . .
O13 O 1.3259(3) -0.0047(3) 0.1654(3) 0.0370(8) Uani 1 1 d . . . . .
O14 O 0.4348(4) 0.6587(4) 0.5667(4) 0.0543(10) Uani 1 1 d . . . . .
N1 N 0.8307(3) 0.6181(3) 0.0270(3) 0.0238(7) Uani 1 1 d . . . . .
N2 N 0.3236(4) 0.6192(3) 0.0757(3) 0.0279(8) Uani 1 1 d . . . . .
N3 N 0.7534(3) 0.7958(3) 0.0847(3) 0.0230(7) Uani 1 1 d . . . . .
N4 N 0.6146(4) 0.7820(4) 0.3464(4) 0.0338(9) Uani 1 1 d . . . . .
H4 H 0.675212 0.710318 0.317916 0.041 Uiso 1 1 calc R U . . .
N7 N 0.9392(3) 0.6689(3) 0.0345(3) 0.0256(8) Uani 1 1 d . . . . .
C1 C 0.3999(5) 0.5408(4) 0.1377(4) 0.0319(10) Uani 1 1 d . . . . .
H1 H 0.364910 0.467735 0.185504 0.038 Uiso 1 1 calc R U . . .
C2 C 0.3740(5) 0.7254(4) 0.0100(4) 0.0316(10) Uani 1 1 d . . . . .
H2 H 0.321259 0.781402 -0.033215 0.038 Uiso 1 1 calc R U . . .
C3 C 0.5288(5) 0.5623(4) 0.1348(4) 0.0289(9) Uani 1 1 d . . . . .
H3 H 0.579903 0.504134 0.177922 0.035 Uiso 1 1 calc R U . . .
C4 C 0.5016(4) 0.7562(4) 0.0032(4) 0.0280(9) Uani 1 1 d . . . . .
H4A H 0.532742 0.831337 -0.042776 0.034 Uiso 1 1 calc R U . . .
C5 C 0.5804(4) 0.6729(4) 0.0659(4) 0.0215(8) Uani 1 1 d . . . . .
C6 C 0.7208(4) 0.6958(4) 0.0577(4) 0.0227(8) Uani 1 1 d . . . . .
C7 C 0.8909(4) 0.7745(4) 0.0680(4) 0.0266(9) Uani 1 1 d . . . . .
H7 H 0.943179 0.827946 0.079129 0.032 Uiso 1 1 calc R U . . .
C8 C 0.6626(5) 0.9010(4) 0.1326(4) 0.0300(10) Uani 1 1 d . . . . .
H8A H 0.569616 0.897237 0.132757 0.036 Uiso 1 1 calc R U . . .
H8B H 0.693393 0.978579 0.081246 0.036 Uiso 1 1 calc R U . . .
C9 C 0.6627(6) 0.8982(5) 0.2593(5) 0.0403(12) Uani 1 1 d . . . . .
H9A H 0.755313 0.905653 0.257796 0.048 Uiso 1 1 calc R U . . .
H9B H 0.603636 0.969692 0.287235 0.048 Uiso 1 1 calc R U . . .
C10 C 0.6236(6) 0.7841(5) 0.4670(5) 0.0436(12) Uani 1 1 d . . . . .
H10A H 0.568842 0.857787 0.493884 0.052 Uiso 1 1 calc R U . . .
H10B H 0.718454 0.789007 0.460955 0.052 Uiso 1 1 calc R U . . .
C11 C 0.4688(5) 0.7658(5) 0.3578(5) 0.0388(11) Uani 1 1 d . . . . .
H11A H 0.408094 0.839081 0.379415 0.047 Uiso 1 1 calc R U . . .
H11B H 0.463634 0.755684 0.281565 0.047 Uiso 1 1 calc R U . . .
C12 C 0.4243(6) 0.6528(5) 0.4528(5) 0.0467(13) Uani 1 1 d . . . . .
H12A H 0.329583 0.644294 0.461356 0.056 Uiso 1 1 calc R U . . .
H12B H 0.480713 0.579286 0.426827 0.056 Uiso 1 1 calc R U . . .
C13 C 0.5739(6) 0.6708(6) 0.5576(5) 0.0509(14) Uani 1 1 d . . . . .
H13A H 0.633022 0.597346 0.534288 0.061 Uiso 1 1 calc R U . . .
H13B H 0.578688 0.676777 0.635223 0.061 Uiso 1 1 calc R U . . .
O1W O 0.779(3) 0.223(5) 0.192(2) 0.095(10) Uani 0.36(4) 1 d . U P A 1
H1WA H 0.810315 0.210385 0.251000 0.142 Uiso 0.36(4) 1 d R U P A 1
H1WB H 0.848535 0.206895 0.133610 0.142 Uiso 0.36(4) 1 d R U P A 1
O1WA O 0.7649(12) 0.306(3) 0.2031(11) 0.094(6) Uani 0.64(4) 1 d . U P A 2
H1WC H 0.704579 0.259515 0.251039 0.141 Uiso 0.64(4) 1 d R U P A 2
H1WD H 0.841239 0.261435 0.201119 0.141 Uiso 0.64(4) 1 d R U P A 2
O2W O 0.7546(4) 0.5494(4) 0.3071(4) 0.0500(10) Uani 1 1 d G . . . .
H2WA H 0.735259 0.476785 0.312051 0.075 Uiso 1 1 d G U . . .
H2WB H 0.838956 0.538999 0.304290 0.075 Uiso 1 1 d G U . . .


_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
Ag1 O6 2.713(3) . ?
Ag1 N1 2.309(4) 2_765 ?
Ag1 N2 2.254(3) 1_655 ?
Ag1 N7 2.253(3) . ?
Mo1 O1 1.689(4) . ?
Mo1 O2 1.705(4) . ?
Mo1 O3 1.845(3) 2_756 ?
Mo1 O4 1.834(3) . ?
Mo2 O4 1.959(3) . ?
Mo2 O5 1.701(4) . ?
Mo2 O6 1.697(3) . ?
Mo2 O7 1.926(3) . ?
Mo2 O8 2.305(3) . ?
Mo2 O10 2.345(3) . ?
Mo3 O3 1.976(3) . ?
Mo3 O7 1.911(3) . ?
Mo3 O10 2.365(3) . ?
Mo3 O11 2.277(3) . ?
Mo3 O12 1.700(3) . ?
Mo3 O13 1.702(3) . ?
Mo4 O8 1.763(3) . ?
Mo4 O9 1.693(3) . ?
Mo4 O10 1.837(3) 2_756 ?
Mo4 O11 1.776(3) . ?
O14 C12 1.428(7) . ?
O14 C13 1.435(7) . ?
N1 N7 1.380(4) . ?
N1 C6 1.306(5) . ?
N2 C1 1.331(6) . ?
N2 C2 1.338(6) . ?
N3 C6 1.355(5) . ?
N3 C7 1.355(5) . ?
N3 C8 1.470(5) . ?
N4 H4 0.9800 . ?
N4 C9 1.500(6) . ?
N4 C10 1.490(6) . ?
N4 C11 1.509(6) . ?
N7 C7 1.296(6) . ?
C1 H1 0.9300 . ?
C1 C3 1.383(6) . ?
C2 H2 0.9300 . ?
C2 C4 1.394(6) . ?
C3 H3 0.9300 . ?
C3 C5 1.391(6) . ?
C4 H4A 0.9300 . ?
C4 C5 1.375(6) . ?
C5 C6 1.487(5) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.516(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C13 1.498(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.505(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8501 . ?
O1WA H1WC 0.8500 . ?
O1WA H1WD 0.8498 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8499 . ?

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
N1 Ag1 O6 78.35(12) 2_765 . ?
N2 Ag1 O6 105.41(13) 1_655 . ?
N2 Ag1 N1 118.82(13) 1_655 2_765 ?
N7 Ag1 O6 97.70(13) . . ?
N7 Ag1 N1 108.44(12) . 2_765 ?
N7 Ag1 N2 130.38(13) . 1_655 ?
O1 Mo1 O2 108.0(2) . . ?
O1 Mo1 O3 105.61(16) . 2_756 ?
O1 Mo1 O4 108.73(18) . . ?
O2 Mo1 O3 109.73(16) . 2_756 ?
O2 Mo1 O4 107.26(17) . . ?
O4 Mo1 O3 117.24(14) . 2_756 ?
O4 Mo2 O8 77.70(13) . . ?
O4 Mo2 O10 80.28(12) . . ?
O5 Mo2 O4 95.94(16) . . ?
O5 Mo2 O7 99.64(15) . . ?
O5 Mo2 O8 164.64(15) . . ?
O5 Mo2 O10 92.81(15) . . ?
O6 Mo2 O4 101.32(16) . . ?
O6 Mo2 O5 104.92(19) . . ?
O6 Mo2 O7 100.17(15) . . ?
O6 Mo2 O8 90.11(16) . . ?
O6 Mo2 O10 161.84(16) . . ?
O7 Mo2 O4 149.12(13) . . ?
O7 Mo2 O8 80.36(12) . . ?
O7 Mo2 O10 72.52(11) . . ?
O8 Mo2 O10 72.44(11) . . ?
O3 Mo3 O10 81.39(12) . . ?
O3 Mo3 O11 77.48(12) . . ?
O7 Mo3 O3 150.73(13) . . ?
O7 Mo3 O10 72.28(11) . . ?
O7 Mo3 O11 82.28(12) . . ?
O11 Mo3 O10 71.84(11) . . ?
O12 Mo3 O3 101.23(14) . . ?
O12 Mo3 O7 99.82(15) . . ?
O12 Mo3 O10 161.18(14) . . ?
O12 Mo3 O11 90.40(14) . . ?
O12 Mo3 O13 104.69(17) . . ?
O13 Mo3 O3 94.60(15) . . ?
O13 Mo3 O7 99.47(15) . . ?
O13 Mo3 O10 93.59(14) . . ?
O13 Mo3 O11 164.17(14) . . ?
O8 Mo4 O10 111.23(14) . 2_756 ?
O8 Mo4 O11 112.01(14) . . ?
O9 Mo4 O8 106.85(17) . . ?
O9 Mo4 O10 106.50(17) . 2_756 ?
O9 Mo4 O11 106.20(16) . . ?
O11 Mo4 O10 113.53(14) . 2_756 ?
Mo1 O3 Mo3 130.02(17) 2_756 . ?
Mo1 O4 Mo2 139.63(19) . . ?
Mo2 O6 Ag1 131.3(2) . . ?
Mo3 O7 Mo2 120.01(15) . . ?
Mo4 O8 Mo2 122.65(16) . . ?
Mo2 O10 Mo3 89.76(10) . . ?
Mo4 O10 Mo2 131.76(15) 2_756 . ?
Mo4 O10 Mo3 136.96(15) 2_756 . ?
Mo4 O11 Mo3 123.16(15) . . ?
C12 O14 C13 110.6(4) . . ?
N7 N1 Ag1 122.8(3) . 2_765 ?
C6 N1 Ag1 129.8(3) . 2_765 ?
C6 N1 N7 106.9(3) . . ?
C1 N2 Ag1 121.2(3) . 1_455 ?
C1 N2 C2 117.6(4) . . ?
C2 N2 Ag1 120.0(3) . 1_455 ?
C6 N3 C8 129.5(3) . . ?
C7 N3 C6 105.0(3) . . ?
C7 N3 C8 125.3(3) . . ?
C9 N4 H4 108.4 . . ?
C9 N4 C11 112.4(4) . . ?
C10 N4 H4 108.4 . . ?
C10 N4 C9 110.2(4) . . ?
C10 N4 C11 109.0(4) . . ?
C11 N4 H4 108.4 . . ?
N1 N7 Ag1 124.3(3) . . ?
C7 N7 Ag1 125.0(3) . . ?
C7 N7 N1 107.5(3) . . ?
N2 C1 H1 118.4 . . ?
N2 C1 C3 123.3(4) . . ?
C3 C1 H1 118.4 . . ?
N2 C2 H2 118.4 . . ?
N2 C2 C4 123.2(4) . . ?
C4 C2 H2 118.4 . . ?
C1 C3 H3 120.7 . . ?
C1 C3 C5 118.7(4) . . ?
C5 C3 H3 120.7 . . ?
C2 C4 H4A 120.8 . . ?
C5 C4 C2 118.5(4) . . ?
C5 C4 H4A 120.8 . . ?
C3 C5 C6 119.6(4) . . ?
C4 C5 C3 118.8(4) . . ?
C4 C5 C6 121.6(4) . . ?
N1 C6 N3 110.2(3) . . ?
N1 C6 C5 123.8(4) . . ?
N3 C6 C5 125.9(4) . . ?
N3 C7 H7 124.8 . . ?
N7 C7 N3 110.4(4) . . ?
N7 C7 H7 124.8 . . ?
N3 C8 H8A 109.4 . . ?
N3 C8 H8B 109.4 . . ?
N3 C8 C9 111.2(4) . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
N4 C9 C8 113.5(4) . . ?
N4 C9 H9A 108.9 . . ?
N4 C9 H9B 108.9 . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
N4 C10 H10A 109.2 . . ?
N4 C10 H10B 109.2 . . ?
N4 C10 C13 112.0(4) . . ?
H10A C10 H10B 107.9 . . ?
C13 C10 H10A 109.2 . . ?
C13 C10 H10B 109.2 . . ?
N4 C11 H11A 109.8 . . ?
N4 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
C12 C11 N4 109.4(4) . . ?
C12 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
O14 C12 C11 113.0(5) . . ?
O14 C12 H12A 109.0 . . ?
O14 C12 H12B 109.0 . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
O14 C13 C10 110.8(4) . . ?
O14 C13 H13A 109.5 . . ?
O14 C13 H13B 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
H1WA O1W H1WB 104.5 . . ?
H1WC O1WA H1WD 104.5 . . ?
H2WA O2W H2WB 104.5 . . ?

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
Ag1 N1 N7 Ag1 -26.3(4) 2_765 . . . ?
Ag1 N1 N7 C7 172.9(3) 2_765 . . . ?
Ag1 N1 C6 N3 -172.6(3) 2_765 . . . ?
Ag1 N1 C6 C5 9.6(6) 2_765 . . . ?
Ag1 N2 C1 C3 165.2(4) 1_455 . . . ?
Ag1 N2 C2 C4 -166.6(4) 1_455 . . . ?
Ag1 N7 C7 N3 -160.0(3) . . . . ?
O1 Mo1 O4 Mo2 -54.5(3) . . . . ?
O2 Mo1 O4 Mo2 -171.0(3) . . . . ?
O3 Mo1 O4 Mo2 65.1(3) 2_756 . . . ?
O4 Mo2 O6 Ag1 125.9(2) . . . . ?
O5 Mo2 O6 Ag1 26.6(3) . . . . ?
O7 Mo2 O6 Ag1 -76.4(2) . . . . ?
O8 Mo2 O6 Ag1 -156.6(2) . . . . ?
O8 Mo4 O11 Mo3 37.4(2) . . . . ?
O9 Mo4 O8 Mo2 -156.1(2) . . . . ?
O9 Mo4 O11 Mo3 153.7(2) . . . . ?
O10 Mo2 O6 Ag1 -140.8(3) . . . . ?
O10 Mo4 O8 Mo2 88.1(2) 2_756 . . . ?
O10 Mo4 O11 Mo3 -89.64(19) 2_756 . . . ?
O11 Mo4 O8 Mo2 -40.2(2) . . . . ?
N1 N7 C7 N3 0.6(5) . . . . ?
N2 C1 C3 C5 1.6(7) . . . . ?
N2 C2 C4 C5 0.7(7) . . . . ?
N3 C8 C9 N4 -59.9(5) . . . . ?
N4 C10 C13 O14 -57.4(6) . . . . ?
N4 C11 C12 O14 57.0(6) . . . . ?
N7 N1 C6 N3 0.2(5) . . . . ?
N7 N1 C6 C5 -177.5(4) . . . . ?
C1 N2 C2 C4 0.6(7) . . . . ?
C1 C3 C5 C4 -0.2(7) . . . . ?
C1 C3 C5 C6 -177.7(4) . . . . ?
C2 N2 C1 C3 -1.8(7) . . . . ?
C2 C4 C5 C3 -0.8(7) . . . . ?
C2 C4 C5 C6 176.5(4) . . . . ?
C3 C5 C6 N1 52.8(6) . . . . ?
C3 C5 C6 N3 -124.6(5) . . . . ?
C4 C5 C6 N1 -124.5(5) . . . . ?
C4 C5 C6 N3 58.1(6) . . . . ?
C6 N1 N7 Ag1 160.3(3) . . . . ?
C6 N1 N7 C7 -0.5(5) . . . . ?
C6 N3 C7 N7 -0.5(5) . . . . ?
C6 N3 C8 C9 112.3(5) . . . . ?
C7 N3 C6 N1 0.2(5) . . . . ?
C7 N3 C6 C5 177.9(4) . . . . ?
C7 N3 C8 C9 -61.4(6) . . . . ?
C8 N3 C6 N1 -174.5(4) . . . . ?
C8 N3 C6 C5 3.2(7) . . . . ?
C8 N3 C7 N7 174.4(4) . . . . ?
C9 N4 C10 C13 178.9(4) . . . . ?
C9 N4 C11 C12 -176.0(4) . . . . ?
C10 N4 C9 C8 177.5(4) . . . . ?
C10 N4 C11 C12 -53.6(5) . . . . ?
C11 N4 C9 C8 -60.8(5) . . . . ?
C11 N4 C10 C13 55.2(6) . . . . ?
C12 O14 C13 C10 57.7(6) . . . . ?
C13 O14 C12 C11 -58.9(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
