# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_210512e
_database_code_depnum_ccdc_archive 'CCDC 2086764'
loop_
_audit_author_name
_audit_author_address
'Jie Wang'
;University of Jinan
China
;
_audit_update_record             
;
2021-05-30 deposited with the CCDC.	2023-01-29 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT241_210512e             
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         Ag Check
RESPONSE: These issues of alert level Bpossibly result from high residual density caused by serious truncation effects of heavy metal atoms In. Some refined commands such as ISOR, DELU and SIMU were used to address such abnormal Ueq value of some In atoms, but failed.
;
# Added during the CSD deposition process: Sunday 30 May 2021 12:50 PM
# end Validation Reply Form

_audit_creation_date             2021-05-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag6 Mn Mo9 O36'
_chemical_formula_sum            'Ag6 Mn Mo9 O36'
_chemical_formula_weight         2141.62
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         AgCMo
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   10.9514(9)
_cell_length_b                   24.5879(17)
_cell_length_c                   15.3537(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4134.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3603
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.8110
_cell_measurement_theta_min      3.5770
_shelx_estimated_absorpt_T_max   0.089
_shelx_estimated_absorpt_T_min   0.025
_exptl_absorpt_coefficient_mu    47.035
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    3.441
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3892
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6758
_diffrn_reflns_point_group_measured_fraction_full 0.913
_diffrn_reflns_point_group_measured_fraction_max 0.913
_diffrn_reflns_theta_full        66.961
_diffrn_reflns_theta_max         66.961
_diffrn_reflns_theta_min         3.595
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     71.00 116.00   1.00    0.53    --   48.20  70.00 164.00   45
  2  ω    -27.00  15.00   1.00    0.53    --  -48.20  19.00  60.00   42
  3  ω    -26.00  26.00   1.00    0.53    --  -48.20  19.00 150.00   52
  4  ω    -62.00 -15.00   1.00    1.80    --  -86.25  55.00 -38.00   47
  5  ω    -39.00 -13.00   1.00    1.80    --  -86.25  38.00 -90.00   26
  6  ω    -42.00 -16.00   1.00    1.80    --  -86.25  38.00-120.00   26
  7  ω   -137.00 -84.00   1.00    1.80    --  -86.25-105.00 -52.00   53
  8  ω     95.00 177.00   1.00    1.80    --  106.49  70.00 164.00   82
  9  ω     36.00 104.00   1.00    1.80    --  106.49 -77.00 -30.00   68
 10  ω     48.00  75.00   1.00    1.80    --  106.49 -70.00  33.00   27
 11  ω     35.00  63.00   1.00    1.80    --  106.49 -55.00 178.00   28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0318132000
_diffrn_orient_matrix_UB_12      -0.0605437000
_diffrn_orient_matrix_UB_13      -0.0126989000
_diffrn_orient_matrix_UB_21      -0.0872102000
_diffrn_orient_matrix_UB_22      0.0026232000
_diffrn_orient_matrix_UB_23      0.0785838000
_diffrn_orient_matrix_UB_31      -0.1057091000
_diffrn_orient_matrix_UB_32      0.0159973000
_diffrn_orient_matrix_UB_33      -0.0610261000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.653
_reflns_Friedel_fraction_full    0.821
_reflns_Friedel_fraction_max     0.821
_reflns_number_gt                3269
_reflns_number_total             3374
_reflns_odcompleteness_completeness 98.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip  (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         3.970
_refine_diff_density_min         -3.052
_refine_diff_density_rms         0.551
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(5)
_refine_ls_extinction_coef       0.000077(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3374
_refine_ls_number_restraints     1139
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0871
_refine_ls_restrained_S_all      0.918
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1052P)²+869.0333P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2192
_refine_ls_wR_factor_ref         0.2209
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.51(5)
 0.49(5)
2. Uiso/Uaniso restraints and constraints
O7 \\sim O18 \\sim O21 \\sim O24 \\sim O30 \\sim O36 \\sim O39 \\sim O40 \\sim
O41 \\sim O93 \\sim O117 \\sim O149 \\sim O179 \\sim O1 \\sim O2 \\sim O3 \\sim
O5 \\sim O9: within 7.9A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 7.9A
Uanis(O41) \\sim Ueq, Uanis(O93) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O149)
\\sim Ueq, Uanis(O30) \\sim Ueq, Uanis(O39) \\sim Ueq, Uanis(O18) \\sim Ueq,
Uanis(O179) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O21) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O93) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O93) \\sim Ueq, Uanis(O18) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O5) \\sim Ueq, Uanis(O9) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O30) \\sim Ueq, Uanis(O39) \\sim Ueq, Uanis(O21) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O24) \\sim Ueq, Uanis(O117) \\sim Ueq, Uanis(O40) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O36) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag) \\sim Ueq, Uanis(Mo23) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Rigid body (RIGU) restrains
 O9, Ag, O5, Ag10
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O5, Ag10, O9, Ag, O21, O179, Mo6, O18, Mo7, O7, O30, Mn1, Mo11, O149, O39, O2,
  O93, Mo23, O36, O41, Mo22, Ag2, O1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O93, O18, Mo23, Mo6, Mo7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O36, Mo22, Mo23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_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
Ag2 Ag 1.000000 0.32315(16) 0.250000 0.0271(9) Uani 1 2 d S T P . .
Mo6 Mo 0.7005(3) 0.27792(12) 0.35961(17) 0.0179(7) Uani 1 1 d . . . . .
Mo7 Mo 0.3019(3) 0.26997(12) 0.34955(16) 0.0175(7) Uani 1 1 d . . . . .
Ag10 Ag 1.0097(3) 0.29788(12) 0.47056(16) 0.0304(7) Uani 1 1 d . . . . .
Mo11 Mo 0.5052(3) 0.34946(11) 0.04307(16) 0.0203(6) Uani 1 1 d . . . . .
Mo22 Mo 0.7239(3) 0.40619(12) 0.16536(18) 0.0226(7) Uani 1 1 d . . . . .
Mo23 Mo 0.500000 0.47155(17) 0.250000 0.0378(12) Uani 1 2 d S TU P . .
Ag25 Ag 0.5558(5) 0.500000 0.000000 0.0469(13) Uani 1 2 d S T P . .
Mn1 Mn 0.500000 0.3426(3) 0.250000 0.0145(14) Uani 1 2 d S T P . .
Ag Ag 0.7928(7) 0.3888(3) 0.5347(4) 0.101(2) Uani 1 1 d . U . . .
O7 O 0.335(2) 0.2226(11) 0.4249(17) 0.024(2) Uani 1 1 d . U . . .
O18 O 0.502(3) 0.2915(9) 0.3440(15) 0.022(2) Uani 1 1 d . U . . .
O21 O 0.662(2) 0.3442(11) 0.4294(17) 0.024(2) Uani 1 1 d . U . . .
O24 O 0.515(3) 0.4117(10) -0.0151(16) 0.025(2) Uani 1 1 d . U . . .
O30 O 0.673(2) 0.3353(9) 0.2519(19) 0.023(2) Uani 1 1 d . U . . .
O36 O 0.678(2) 0.4533(9) 0.2557(19) 0.026(2) Uani 1 1 d . U . . .
O39 O 0.524(2) 0.3954(10) 0.1661(16) 0.023(2) Uani 1 1 d . U . . .
O40 O 0.674(2) 0.2318(9) 0.2544(19) 0.025(2) Uani 1 1 d . U . . .
O41 O 0.880(2) 0.3961(11) 0.1875(17) 0.025(2) Uani 1 1 d . U . . .
O93 O 0.509(3) 0.5152(10) 0.1657(17) 0.031(4) Uani 1 1 d . U . . .
O117 O 0.975(2) 0.1985(10) 0.4620(17) 0.026(3) Uani 1 1 d . U . . .
O149 O 0.683(2) 0.3394(10) 0.0844(16) 0.024(2) Uani 1 1 d . U . . .
O179 O 0.682(2) 0.2267(11) 0.4334(17) 0.025(2) Uani 1 1 d . U . . .
O1 O 0.848(2) 0.2893(11) 0.3533(18) 0.025(2) Uani 1 1 d . U . . .
O2 O 0.719(3) 0.4514(10) 0.0797(17) 0.025(2) Uani 1 1 d . U . . .
O3 O 0.142(2) 0.2760(10) 0.3506(17) 0.024(2) Uani 1 1 d . U . . .
O5 O 1.036(3) 0.3884(13) 0.536(2) 0.043(4) Uani 1 1 d . U . . .
O9 O 0.775(3) 0.4588(12) 0.429(2) 0.036(4) Uani 1 1 d . 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
Ag2 O41 2.42(3) 4_755 ?
Ag2 O41 2.42(3) . ?
Ag2 O1 2.44(3) . ?
Ag2 O1 2.44(3) 4_755 ?
Ag2 O3 2.48(3) 1_655 ?
Ag2 O3 2.48(3) 4_655 ?
Mo6 Mo7 3.217(3) 4_655 ?
Mo6 Mn1 3.190(4) . ?
Mo6 O18 2.21(3) . ?
Mo6 O21 1.99(3) . ?
Mo6 O30 2.20(3) . ?
Mo6 O40 1.99(3) . ?
Mo6 O179 1.71(3) . ?
Mo6 O1 1.65(3) . ?
Mo7 Mn1 3.198(5) . ?
Mo7 O7 1.68(3) . ?
Mo7 O18 2.26(3) . ?
Mo7 O30 2.25(3) 4_655 ?
Mo7 O40 1.87(3) 4_655 ?
Mo7 O149 1.99(3) 4_655 ?
Mo7 O3 1.76(3) . ?
Ag10 O7 2.55(3) 7_556 ?
Ag10 O117 2.48(3) . ?
Ag10 O179 2.47(3) 7_556 ?
Ag10 O1 2.53(3) . ?
Ag10 O3 2.40(3) 1_655 ?
Ag10 O5 2.46(3) . ?
Mo11 Mn1 3.182(2) . ?
Mo11 O18 2.25(2) 4_655 ?
Mo11 O21 1.89(3) 4_655 ?
Mo11 O24 1.78(2) . ?
Mo11 O39 2.21(2) . ?
Mo11 O117 1.73(3) 6_654 ?
Mo11 O149 2.06(3) . ?
Mo22 Mo23 3.207(4) . ?
Mo22 Mn1 3.186(4) . ?
Mo22 O30 2.26(3) . ?
Mo22 O36 1.87(3) . ?
Mo22 O39 2.20(2) . ?
Mo22 O41 1.76(3) . ?
Mo22 O149 2.11(3) . ?
Mo22 O2 1.72(3) . ?
Mo23 Mn1 3.172(8) . ?
Mo23 O36 2.01(2) . ?
Mo23 O36 2.00(2) 4_655 ?
Mo23 O39 2.29(2) . ?
Mo23 O39 2.29(2) 4_655 ?
Mo23 O93 1.68(3) . ?
Mo23 O93 1.68(3) 4_655 ?
Ag25 O24 2.23(2) . ?
Ag25 O24 2.23(2) 3_565 ?
Ag25 O2 2.47(3) . ?
Ag25 O2 2.47(3) 3_565 ?
Mn1 O18 1.91(2) . ?
Mn1 O18 1.91(2) 4_655 ?
Mn1 O30 1.91(2) 4_655 ?
Mn1 O30 1.91(2) . ?
Mn1 O39 1.85(2) . ?
Mn1 O39 1.85(2) 4_655 ?
Ag O21 2.42(3) . ?
Ag O9 2.38(3) . ?

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
O41 Ag2 O41 84.4(13) 4_755 . ?
O41 Ag2 O1 111.3(9) . 4_755 ?
O41 Ag2 O1 98.2(9) . . ?
O41 Ag2 O1 98.2(9) 4_755 4_755 ?
O41 Ag2 O1 111.3(9) 4_755 . ?
O41 Ag2 O3 159.0(9) 4_755 4_655 ?
O41 Ag2 O3 76.1(9) 4_755 1_655 ?
O41 Ag2 O3 76.1(9) . 4_655 ?
O41 Ag2 O3 159.0(9) . 1_655 ?
O1 Ag2 O1 140.2(13) 4_755 . ?
O1 Ag2 O3 82.0(8) . 1_655 ?
O1 Ag2 O3 79.6(8) . 4_655 ?
O1 Ag2 O3 79.6(8) 4_755 1_655 ?
O1 Ag2 O3 82.0(8) 4_755 4_655 ?
O3 Ag2 O3 124.2(12) 4_655 1_655 ?
Mn1 Mo6 Mo7 59.88(8) . 4_655 ?
O18 Mo6 Mo7 83.9(6) . 4_655 ?
O18 Mo6 Mn1 36.0(6) . . ?
O21 Mo6 Mo7 125.7(8) . 4_655 ?
O21 Mo6 Mn1 74.4(8) . . ?
O21 Mo6 O18 74.2(10) . . ?
O21 Mo6 O30 81.4(10) . . ?
O21 Mo6 O40 150.3(11) . . ?
O30 Mo6 Mo7 44.4(7) . 4_655 ?
O30 Mo6 Mn1 35.8(6) . . ?
O30 Mo6 O18 71.8(9) . . ?
O40 Mo6 Mo7 32.4(7) . 4_655 ?
O40 Mo6 Mn1 75.9(7) . . ?
O40 Mo6 O18 81.7(9) . . ?
O40 Mo6 O30 74.6(10) . . ?
O179 Mo6 Mo7 128.1(9) . 4_655 ?
O179 Mo6 Mn1 129.6(9) . . ?
O179 Mo6 O18 93.9(11) . . ?
O179 Mo6 O21 102.8(11) . . ?
O179 Mo6 O30 163.7(11) . . ?
O179 Mo6 O40 95.9(11) . . ?
O1 Mo6 Mo7 87.7(10) . 4_655 ?
O1 Mo6 Mn1 124.1(9) . . ?
O1 Mo6 O18 159.1(11) . . ?
O1 Mo6 O21 95.7(12) . . ?
O1 Mo6 O30 88.8(11) . . ?
O1 Mo6 O40 101.0(12) . . ?
O1 Mo6 O179 106.2(13) . . ?
Mn1 Mo7 Mo6 59.64(8) . 4_655 ?
O7 Mo7 Mo6 136.9(9) . 4_655 ?
O7 Mo7 Mn1 124.7(9) . . ?
O7 Mo7 O18 88.8(11) . . ?
O7 Mo7 O30 160.6(11) . 4_655 ?
O7 Mo7 O40 102.1(12) . 4_655 ?
O7 Mo7 O149 103.0(12) . 4_655 ?
O7 Mo7 O3 105.5(12) . . ?
O18 Mo7 Mo6 87.5(6) . 4_655 ?
O18 Mo7 Mn1 36.1(6) . . ?
O30 Mo7 Mo6 43.0(7) 4_655 4_655 ?
O30 Mo7 Mn1 35.9(6) 4_655 . ?
O30 Mo7 O18 71.9(9) 4_655 . ?
O40 Mo7 Mo6 34.9(8) 4_655 4_655 ?
O40 Mo7 Mn1 77.1(7) 4_655 . ?
O40 Mo7 O18 87.1(9) 4_655 . ?
O40 Mo7 O30 75.6(10) 4_655 4_655 ?
O40 Mo7 O149 148.5(11) 4_655 4_655 ?
O149 Mo7 Mo6 117.2(7) 4_655 4_655 ?
O149 Mo7 Mn1 73.0(8) 4_655 . ?
O149 Mo7 O18 74.8(10) 4_655 . ?
O149 Mo7 O30 74.4(10) 4_655 4_655 ?
O3 Mo7 Mo6 89.8(9) . 4_655 ?
O3 Mo7 Mn1 129.3(9) . . ?
O3 Mo7 O18 161.5(10) . . ?
O3 Mo7 O30 93.8(10) . 4_655 ?
O3 Mo7 O40 101.0(11) . 4_655 ?
O3 Mo7 O149 90.4(12) . 4_655 ?
O117 Ag10 O7 73.9(8) . 7_556 ?
O117 Ag10 O1 76.8(8) . . ?
O179 Ag10 O7 98.6(8) 7_556 7_556 ?
O179 Ag10 O117 84.8(8) 7_556 . ?
O179 Ag10 O1 159.6(9) 7_556 . ?
O1 Ag10 O7 84.7(8) . 7_556 ?
O3 Ag10 O7 153.0(8) 1_655 7_556 ?
O3 Ag10 O117 80.3(9) 1_655 . ?
O3 Ag10 O179 86.7(9) 1_655 7_556 ?
O3 Ag10 O1 81.7(8) 1_655 . ?
O3 Ag10 O5 116.3(10) 1_655 . ?
O5 Ag10 O7 90.7(10) . 7_556 ?
O5 Ag10 O117 159.0(10) . . ?
O5 Ag10 O179 83.6(10) . 7_556 ?
O5 Ag10 O1 116.6(10) . . ?
O18 Mo11 Mn1 36.4(6) 4_655 . ?
O21 Mo11 Mn1 75.8(8) 4_655 . ?
O21 Mo11 O18 75.4(11) 4_655 4_655 ?
O21 Mo11 O39 86.3(10) 4_655 . ?
O21 Mo11 O149 147.2(10) 4_655 . ?
O24 Mo11 Mn1 123.3(8) . . ?
O24 Mo11 O18 159.7(10) . 4_655 ?
O24 Mo11 O21 103.2(12) . 4_655 ?
O24 Mo11 O39 89.1(10) . . ?
O24 Mo11 O149 101.8(12) . . ?
O39 Mo11 Mn1 34.5(6) . . ?
O39 Mo11 O18 70.6(9) . 4_655 ?
O117 Mo11 Mn1 133.2(9) 6_654 . ?
O117 Mo11 O18 97.3(10) 6_654 4_655 ?
O117 Mo11 O21 103.8(12) 6_654 4_655 ?
O117 Mo11 O24 102.6(12) 6_654 . ?
O117 Mo11 O39 162.2(11) 6_654 . ?
O117 Mo11 O149 91.1(11) 6_654 . ?
O149 Mo11 Mn1 72.7(7) . . ?
O149 Mo11 O18 73.7(10) . 4_655 ?
O149 Mo11 O39 73.1(10) . . ?
Mn1 Mo22 Mo23 59.49(13) . . ?
O30 Mo22 Mo23 87.7(6) . . ?
O30 Mo22 Mn1 36.2(6) . . ?
O36 Mo22 Mo23 35.6(8) . . ?
O36 Mo22 Mn1 78.3(8) . . ?
O36 Mo22 O30 88.6(10) . . ?
O36 Mo22 O39 78.8(10) . . ?
O36 Mo22 O149 149.4(11) . . ?
O39 Mo22 Mo23 45.5(6) . . ?
O39 Mo22 Mn1 34.4(6) . . ?
O39 Mo22 O30 70.2(9) . . ?
O41 Mo22 Mo23 137.3(9) . . ?
O41 Mo22 Mn1 126.9(9) . . ?
O41 Mo22 O30 90.9(11) . . ?
O41 Mo22 O36 101.8(12) . . ?
O41 Mo22 O39 161.1(10) . . ?
O41 Mo22 O149 102.2(12) . . ?
O149 Mo22 Mo23 117.8(8) . . ?
O149 Mo22 Mn1 72.2(7) . . ?
O149 Mo22 O30 72.2(9) . . ?
O149 Mo22 O39 72.4(10) . . ?
O2 Mo22 Mo23 87.8(9) . . ?
O2 Mo22 Mn1 127.1(10) . . ?
O2 Mo22 O30 159.7(11) . . ?
O2 Mo22 O36 99.1(12) . . ?
O2 Mo22 O39 92.8(11) . . ?
O2 Mo22 O41 105.6(13) . . ?
O2 Mo22 O149 92.6(11) . . ?
Mo22 Mo23 Mo22 119.85(16) 4_655 . ?
Mn1 Mo23 Mo22 59.92(8) . . ?
Mn1 Mo23 Mo22 59.92(8) . 4_655 ?
O36 Mo23 Mo22 127.9(7) 4_655 . ?
O36 Mo23 Mo22 33.0(8) 4_655 4_655 ?
O36 Mo23 Mo22 33.0(8) . . ?
O36 Mo23 Mo22 127.9(7) . 4_655 ?
O36 Mo23 Mn1 77.1(7) . . ?
O36 Mo23 Mn1 77.1(7) 4_655 . ?
O36 Mo23 O36 154.1(13) 4_655 . ?
O36 Mo23 O39 74.2(10) 4_655 4_655 ?
O36 Mo23 O39 84.6(9) 4_655 . ?
O36 Mo23 O39 84.6(9) . 4_655 ?
O36 Mo23 O39 74.2(10) . . ?
O39 Mo23 Mo22 84.6(6) . 4_655 ?
O39 Mo23 Mo22 84.6(6) 4_655 . ?
O39 Mo23 Mo22 43.4(6) . . ?
O39 Mo23 Mo22 43.4(6) 4_655 4_655 ?
O39 Mo23 Mn1 35.1(6) . . ?
O39 Mo23 Mn1 35.1(6) 4_655 . ?
O39 Mo23 O39 70.2(12) . 4_655 ?
O93 Mo23 Mo22 87.9(10) 4_655 4_655 ?
O93 Mo23 Mo22 132.5(11) 4_655 . ?
O93 Mo23 Mo22 87.9(10) . . ?
O93 Mo23 Mo22 132.5(11) . 4_655 ?
O93 Mo23 Mn1 129.6(9) 4_655 . ?
O93 Mo23 Mn1 129.6(9) . . ?
O93 Mo23 O36 96.8(13) 4_655 4_655 ?
O93 Mo23 O36 99.6(13) 4_655 . ?
O93 Mo23 O36 96.8(13) . . ?
O93 Mo23 O36 99.6(13) . 4_655 ?
O93 Mo23 O39 94.7(11) . . ?
O93 Mo23 O39 163.9(11) . 4_655 ?
O93 Mo23 O39 94.7(11) 4_655 4_655 ?
O93 Mo23 O39 163.9(11) 4_655 . ?
O93 Mo23 O93 100.8(18) 4_655 . ?
O24 Ag25 O24 156.6(15) 3_565 . ?
O24 Ag25 O2 124.5(9) 3_565 . ?
O24 Ag25 O2 74.2(9) 3_565 3_565 ?
O24 Ag25 O2 124.5(9) . 3_565 ?
O24 Ag25 O2 74.2(9) . . ?
O2 Ag25 O2 87.6(13) 3_565 . ?
Mo11 Mn1 Mo6 60.81(8) . 4_655 ?
Mo11 Mn1 Mo6 122.74(12) 4_655 4_655 ?
Mo11 Mn1 Mo11 173.9(3) . 4_655 ?
Mo11 Mn1 Mo22 63.43(9) . . ?
Mo11 Mn1 Mo22 113.26(13) 4_655 . ?
Mo11 Mn1 Mo22 63.43(9) 4_655 4_655 ?
Mo11 Mn1 Mo22 113.26(13) . 4_655 ?
Mo22 Mn1 Mo6 85.99(7) 4_655 4_655 ?
Mo22 Mn1 Mo6 124.00(7) . 4_655 ?
Mo22 Mn1 Mo22 121.2(2) 4_655 . ?
Mo23 Mn1 Mo6 119.88(11) . 4_655 ?
Mo23 Mn1 Mo11 86.94(13) . . ?
Mo23 Mn1 Mo11 86.94(13) . 4_655 ?
Mo23 Mn1 Mo22 60.59(11) . 4_655 ?
Mo23 Mn1 Mo22 60.59(11) . . ?
O18 Mn1 Mo6 94.6(8) . 4_655 ?
O18 Mn1 Mo6 42.8(8) 4_655 4_655 ?
O18 Mn1 Mo11 142.0(7) . . ?
O18 Mn1 Mo11 142.0(7) 4_655 4_655 ?
O18 Mn1 Mo11 44.1(7) . 4_655 ?
O18 Mn1 Mo11 44.1(7) 4_655 . ?
O18 Mn1 Mo22 91.4(8) 4_655 . ?
O18 Mn1 Mo22 128.4(8) 4_655 4_655 ?
O18 Mn1 Mo22 91.4(8) . 4_655 ?
O18 Mn1 Mo22 128.4(8) . . ?
O18 Mn1 Mo23 131.0(7) . . ?
O18 Mn1 Mo23 131.0(7) 4_655 . ?
O18 Mn1 O18 98.0(14) 4_655 . ?
O30 Mn1 Mo6 42.3(8) 4_655 4_655 ?
O30 Mn1 Mo6 130.3(8) . 4_655 ?
O30 Mn1 Mo11 90.4(9) . 4_655 ?
O30 Mn1 Mo11 90.4(9) 4_655 . ?
O30 Mn1 Mo11 90.1(9) . . ?
O30 Mn1 Mo11 90.1(9) 4_655 4_655 ?
O30 Mn1 Mo22 44.4(8) 4_655 4_655 ?
O30 Mn1 Mo22 44.4(8) . . ?
O30 Mn1 Mo22 143.7(8) . 4_655 ?
O30 Mn1 Mo22 143.7(8) 4_655 . ?
O30 Mn1 Mo23 95.3(7) 4_655 . ?
O30 Mn1 Mo23 95.3(7) . . ?
O30 Mn1 O18 87.9(12) . 4_655 ?
O30 Mn1 O18 87.9(12) 4_655 . ?
O30 Mn1 O18 85.1(12) . . ?
O30 Mn1 O18 85.1(12) 4_655 4_655 ?
O30 Mn1 O30 169.3(14) . 4_655 ?
O39 Mn1 Mo6 128.2(7) 4_655 4_655 ?
O39 Mn1 Mo6 94.7(8) . 4_655 ?
O39 Mn1 Mo11 131.3(8) 4_655 . ?
O39 Mn1 Mo11 131.3(8) . 4_655 ?
O39 Mn1 Mo11 42.7(8) 4_655 4_655 ?
O39 Mn1 Mo11 42.7(8) . . ?
O39 Mn1 Mo22 92.8(8) 4_655 . ?
O39 Mn1 Mo22 92.8(8) . 4_655 ?
O39 Mn1 Mo22 42.3(7) . . ?
O39 Mn1 Mo22 42.3(8) 4_655 4_655 ?
O39 Mn1 Mo23 45.3(8) . . ?
O39 Mn1 Mo23 45.3(8) 4_655 . ?
O39 Mn1 O18 86.4(10) 4_655 . ?
O39 Mn1 O18 170.1(11) 4_655 4_655 ?
O39 Mn1 O18 170.1(11) . . ?
O39 Mn1 O18 86.4(10) . 4_655 ?
O39 Mn1 O30 86.2(11) 4_655 4_655 ?
O39 Mn1 O30 86.2(11) . . ?
O39 Mn1 O30 101.4(11) . 4_655 ?
O39 Mn1 O30 101.4(11) 4_655 . ?
O39 Mn1 O39 90.6(15) 4_655 . ?
O9 Ag O21 79.8(10) . . ?
Mo7 O7 Ag10 137.1(14) . 7_456 ?
Mo6 O18 Mo7 156.2(11) . . ?
Mo6 O18 Mo11 92.7(9) . 4_655 ?
Mo11 O18 Mo7 94.9(10) 4_655 . ?
Mn1 O18 Mo6 101.1(11) . . ?
Mn1 O18 Mo7 99.8(11) . . ?
Mn1 O18 Mo11 99.5(10) . 4_655 ?
Mo6 O21 Ag 127.2(13) . . ?
Mo11 O21 Mo6 112.4(13) 4_655 . ?
Mo11 O21 Ag 113.2(12) 4_655 . ?
Mo11 O24 Ag25 143.0(14) . . ?
Mo6 O30 Mo7 92.6(9) . 4_655 ?
Mo6 O30 Mo22 154.9(12) . . ?
Mo7 O30 Mo22 96.5(11) 4_655 . ?
Mn1 O30 Mo6 101.9(11) . . ?
Mn1 O30 Mo7 100.1(11) . 4_655 ?
Mn1 O30 Mo22 99.4(11) . . ?
Mo22 O36 Mo23 111.5(13) . . ?
Mo11 O39 Mo23 152.7(12) . . ?
Mo22 O39 Mo11 98.6(10) . . ?
Mo22 O39 Mo23 91.2(9) . . ?
Mn1 O39 Mo11 102.8(11) . . ?
Mn1 O39 Mo22 103.3(11) . . ?
Mn1 O39 Mo23 99.6(11) . . ?
Mo7 O40 Mo6 112.7(12) 4_655 . ?
Mo22 O41 Ag2 135.0(14) . . ?
Mo11 O117 Ag10 127.9(13) 6_655 . ?
Mo7 O149 Mo11 109.8(12) 4_655 . ?
Mo7 O149 Mo22 110.5(12) 4_655 . ?
Mo11 O149 Mo22 106.8(12) . . ?
Mo6 O179 Ag10 131.8(14) . 7_456 ?
Ag2 O1 Ag10 87.7(9) . . ?
Mo6 O1 Ag2 139.9(15) . . ?
Mo6 O1 Ag10 131.2(15) . . ?
Mo22 O2 Ag25 135.5(15) . . ?
Mo7 O3 Ag2 131.1(13) . 1_455 ?
Mo7 O3 Ag10 128.7(13) . 1_455 ?
Ag10 O3 Ag2 89.8(9) 1_455 1_455 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mo6 Mo7 O7 Ag10 103.9(19) 4_655 . . 7_456 ?
Mo6 Mo7 O3 Ag2 -29.8(15) 4_655 . . 1_455 ?
Mo6 Mo7 O3 Ag10 -163.8(15) 4_655 . . 1_455 ?
Mo6 Mn1 O39 Mo11 -35.8(9) 4_655 . . . ?
Mo6 Mn1 O39 Mo22 -138.0(8) 4_655 . . . ?
Mo6 Mn1 O39 Mo23 128.5(7) 4_655 . . . ?
Mo7 Mo6 O179 Ag10 -106.2(16) 4_655 . . 7_456 ?
Mo7 Mo6 O1 Ag2 23(2) 4_655 . . . ?
Mo7 Mo6 O1 Ag10 -173.8(16) 4_655 . . . ?
Mo11 Mn1 O39 Mo11 -178.43(16) 4_655 . . . ?
Mo11 Mn1 O39 Mo22 79.3(11) 4_655 . . . ?
Mo11 Mn1 O39 Mo22 -102.2(13) . . . . ?
Mo11 Mn1 O39 Mo23 164.3(15) . . . . ?
Mo11 Mn1 O39 Mo23 -14.2(14) 4_655 . . . ?
Mo22 Mn1 O39 Mo11 102.2(13) . . . . ?
Mo22 Mn1 O39 Mo11 -122.0(8) 4_655 . . . ?
Mo22 Mn1 O39 Mo22 135.8(8) 4_655 . . . ?
Mo22 Mn1 O39 Mo23 -93.5(12) . . . . ?
Mo22 Mn1 O39 Mo23 42.2(8) 4_655 . . . ?
Mo23 Mo22 O41 Ag2 102.7(18) . . . . ?
Mo23 Mo22 O2 Ag25 -36.1(17) . . . . ?
Mo23 Mn1 O39 Mo11 -164.3(15) . . . . ?
Mo23 Mn1 O39 Mo22 93.5(12) . . . . ?
Mn1 Mo6 O179 Ag10 -26(2) . . . 7_456 ?
Mn1 Mo6 O1 Ag2 -27(3) . . . . ?
Mn1 Mo6 O1 Ag10 135.5(12) . . . . ?
Mn1 Mo7 O7 Ag10 23(2) . . . 7_456 ?
Mn1 Mo7 O3 Ag2 19(2) . . . 1_455 ?
Mn1 Mo7 O3 Ag10 -114.8(13) . . . 1_455 ?
Mn1 Mo11 O24 Ag25 14(3) . . . . ?
Mn1 Mo22 O36 Mo23 -53.1(10) . . . . ?
Mn1 Mo22 O41 Ag2 20(2) . . . . ?
Mn1 Mo22 O2 Ag25 12(2) . . . . ?
O7 Mo7 O3 Ag2 -169.0(16) . . . 1_455 ?
O7 Mo7 O3 Ag10 57.0(19) . . . 1_455 ?
O18 Mo6 O179 Ag10 -20.9(17) . . . 7_456 ?
O18 Mo6 O1 Ag2 -43(5) . . . . ?
O18 Mo6 O1 Ag10 120(3) . . . . ?
O18 Mo7 O7 Ag10 18.9(19) . . . 7_456 ?
O18 Mo7 O3 Ag2 52(4) . . . 1_455 ?
O18 Mo7 O3 Ag10 -82(4) . . . 1_455 ?
O18 Mo11 O24 Ag25 12(5) 4_655 . . . ?
O18 Mn1 O39 Mo11 6.3(11) 4_655 . . . ?
O18 Mn1 O39 Mo22 -96.0(12) 4_655 . . . ?
O18 Mn1 O39 Mo23 170.5(11) 4_655 . . . ?
O21 Mo6 O179 Ag10 53.9(19) . . . 7_456 ?
O21 Mo6 O1 Ag2 -102(2) . . . . ?
O21 Mo6 O1 Ag10 60.5(18) . . . . ?
O21 Mo11 O24 Ag25 96(3) 4_655 . . . ?
O30 Mo6 O179 Ag10 -50(5) . . . 7_456 ?
O30 Mo6 O1 Ag2 -21(2) . . . . ?
O30 Mo6 O1 Ag10 141.7(18) . . . . ?
O30 Mo7 O7 Ag10 25(5) 4_655 . . 7_456 ?
O30 Mo7 O3 Ag2 13.0(18) 4_655 . . 1_455 ?
O30 Mo7 O3 Ag10 -121.0(16) 4_655 . . 1_455 ?
O30 Mo22 O36 Mo23 -88.0(12) . . . . ?
O30 Mo22 O41 Ag2 15.0(19) . . . . ?
O30 Mo22 O2 Ag25 41(4) . . . . ?
O30 Mn1 O39 Mo11 94.3(11) . . . . ?
O30 Mn1 O39 Mo11 -78.0(12) 4_655 . . . ?
O30 Mn1 O39 Mo22 -7.9(11) . . . . ?
O30 Mn1 O39 Mo22 179.7(11) 4_655 . . . ?
O30 Mn1 O39 Mo23 86.2(11) 4_655 . . . ?
O30 Mn1 O39 Mo23 -101.4(11) . . . . ?
O36 Mo22 O41 Ag2 103.8(19) . . . . ?
O36 Mo22 O2 Ag25 -70(2) . . . . ?
O39 Mo11 O24 Ag25 10(2) . . . . ?
O39 Mo22 O36 Mo23 -18.0(12) . . . . ?
O39 Mo22 O41 Ag2 14(5) . . . . ?
O39 Mo22 O2 Ag25 9.2(19) . . . . ?
O39 Mn1 O39 Mo11 -164.3(15) 4_655 . . . ?
O39 Mn1 O39 Mo22 93.5(12) 4_655 . . . ?
O39 Mn1 O39 Mo23 0.001(1) 4_655 . . . ?
O40 Mo6 O179 Ag10 -102.9(17) . . . 7_456 ?
O40 Mo6 O1 Ag2 53(2) . . . . ?
O40 Mo6 O1 Ag10 -144.2(16) . . . . ?
O40 Mo7 O7 Ag10 105.6(19) 4_655 . . 7_456 ?
O40 Mo7 O3 Ag2 -63.1(18) 4_655 . . 1_455 ?
O40 Mo7 O3 Ag10 162.9(15) 4_655 . . 1_455 ?
O41 Mo22 O36 Mo23 -178.7(12) . . . . ?
O41 Mo22 O2 Ag25 -174.9(18) . . . . ?
O117 Mo11 O24 Ag25 -157(2) 6_654 . . . ?
O149 Mo7 O7 Ag10 -55(2) 4_655 . . 7_456 ?
O149 Mo7 O3 Ag2 87.3(17) 4_655 . . 1_455 ?
O149 Mo7 O3 Ag10 -46.6(17) 4_655 . . 1_455 ?
O149 Mo11 O24 Ag25 -63(3) . . . . ?
O149 Mo22 O36 Mo23 -38(3) . . . . ?
O149 Mo22 O41 Ag2 -57(2) . . . . ?
O149 Mo22 O2 Ag25 81.7(19) . . . . ?
O179 Mo6 O1 Ag2 152(2) . . . . ?
O179 Mo6 O1 Ag10 -45(2) . . . . ?
O1 Mo6 O179 Ag10 153.8(17) . . . 7_456 ?
O2 Mo22 O36 Mo23 73.1(15) . . . . ?
O2 Mo22 O41 Ag2 -153.2(18) . . . . ?
O3 Mo7 O7 Ag10 -149.2(18) . . . 7_456 ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.069 0.000 -0.428 518.0 170.9 ?
2 -0.020 0.500 -0.788 518.0 170.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.768
_oxdiff_exptl_absorpt_empirical_full_min 0.543
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.51(5)
2 0.49(5)

####################################################################### 
# 
# 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_210719d
_database_code_depnum_ccdc_archive 'CCDC 2097830'
loop_
_audit_author_name
_audit_author_address
'Jie Wang'
;University of JiNan
China
;
_audit_update_record             
;
2021-07-20 deposited with the CCDC.	2023-01-29 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_210719d             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O13 Check
RESPONSE: The oxygen atom is assigned to be adisordered water molecule. Consequently, no particular effort has been applied to determine possible hydrogen atom position.
;
_vrf_PLAT975_210719d             
;
PROBLEM: Check Calcd Resid. Dens.  0.80A   From O14             1.61 eA-3
RESPONSE: The residual electron density 0.80 angstrom from O14 is low andis not in a position indicative of any unassigned atoms.
;
# Added during the CSD deposition process: Tuesday 20 July 2021 08:33 AM
# end Validation Reply Form

_audit_creation_date             2021-07-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        WJJ-M
_chemical_formula_moiety         'Ag3 Mn1 Mo9 O32, Ag3 C6 N9, 8(O)'
_chemical_formula_sum            'C6 Ag6 Mn Mo9 N9 O40'
_chemical_formula_weight         2403.77
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      cubic
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_space_group_name_Hall           '-P 2ac 2ab 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
'-z, -x, -y'
'-z-1/2, x-1/2, y'
'z-1/2, x, -y-1/2'
'z, -x-1/2, y-1/2'
'-y, -z, -x'
'y, -z-1/2, x-1/2'
'-y-1/2, z-1/2, x'
'y-1/2, z, -x-1/2'

_cell_length_a                   21.4897(2)
_cell_length_b                   21.4897(2)
_cell_length_c                   21.4897(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9924.1(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10339
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.2530
_cell_measurement_theta_min      3.5360
_shelx_estimated_absorpt_T_max   0.110
_shelx_estimated_absorpt_T_min   0.110
_exptl_absorpt_coefficient_mu    39.456
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    3.218
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8832
_exptl_crystal_size_max          0.1
_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  0.0619
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            26386
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        66.552
_diffrn_reflns_theta_max         66.552
_diffrn_reflns_theta_min         3.562
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -120.00 -74.00   1.00    0.36    --  -48.45-125.00-180.00   46
  2  ω   -120.00 -75.00   1.00    0.36    --  -48.45-125.00-150.00   45
  3  ω   -111.00 -75.00   1.00    0.84    --  -86.25 163.00 111.00   36
  4  ω     35.00  95.00   1.00    0.84    --  106.49-122.00 147.00   60
  5  ω     34.00  62.00   1.00    0.84    --  106.49 -54.00-147.00   28
  6  ω    133.00 176.00   1.00    0.84    --  106.49 125.00 150.00   43
  7  ω     96.00 122.00   1.00    0.84    --  106.49 125.00 150.00   26
  8  ω     97.00 149.00   1.00    0.84    --  106.49 164.00 111.00   52
  9  ω    -41.00 -15.00   1.00    0.84    --  -86.25  38.00-150.00   26
 10  ω     34.00  64.00   1.00    0.84    --  106.49 -57.00  60.00   30
 11  ω   -118.00 -93.00   1.00    0.84    --  -86.25-164.00  86.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0066257000
_diffrn_orient_matrix_UB_12      -0.0707003000
_diffrn_orient_matrix_UB_13      -0.0098711000
_diffrn_orient_matrix_UB_21      0.0666045000
_diffrn_orient_matrix_UB_22      -0.0097210000
_diffrn_orient_matrix_UB_23      0.0248156000
_diffrn_orient_matrix_UB_31      -0.0257764000
_diffrn_orient_matrix_UB_32      -0.0068798000
_diffrn_orient_matrix_UB_33      0.0664804000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2685
_reflns_number_total             2931
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.008
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.250
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         2931
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.056
_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)+(0.0347P)²+90.9599P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
_refine_ls_wR_factor_ref         0.0800
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O2) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O18) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O14) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O14) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
2. Others
 Fixed Sof: O16(0.16667) O18(0.5)
;
_atom_sites_solution_hydrogens   .
_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 0.86933(2) 0.37591(2) 0.23758(2) 0.00825(13) Uani 1 1 d . . . . .
Mo2 Mo 0.87669(2) 0.26149(2) 0.33314(2) 0.01159(14) Uani 1 1 d . . . . .
Ag1 Ag 1.01964(2) 0.28654(3) 0.23595(2) 0.02351(15) Uani 1 1 d . . . . .
Mo3 Mo 0.77307(2) 0.15390(2) 0.32482(2) 0.01385(14) Uani 1 1 d . . . . .
Ag2 Ag 1.02550(3) 0.16240(3) 0.11747(3) 0.03990(19) Uani 1 1 d . . . . .
Mn1 Mn 0.76833(4) 0.26833(4) 0.23167(4) 0.0053(3) Uani 1 3 d S T P . .
O1 O 0.85561(18) 0.35561(18) 0.14439(18) 0.0080(13) Uani 1 3 d S T P . .
O2 O 0.85659(18) 0.27380(17) 0.23169(17) 0.0064(8) Uani 1 1 d . U . . .
O3 O 0.86382(19) 0.3508(2) 0.32074(19) 0.0141(9) Uani 1 1 d . . . . .
O4 O 0.75752(19) 0.18095(19) 0.22637(18) 0.0109(8) Uani 1 1 d . . . . .
O5 O 0.94847(19) 0.3751(2) 0.2262(2) 0.0157(9) Uani 1 1 d . . . . .
O6 O 0.6815(2) 0.1815(2) 0.3185(2) 0.0183(16) Uani 1 3 d S T P . .
O7 O 0.8575(2) 0.1743(2) 0.3152(2) 0.0155(9) Uani 1 1 d . . . . .
O8 O 0.8510(2) 0.4538(2) 0.2419(2) 0.0189(10) Uani 1 1 d . . . . .
O9 O 0.8698(2) 0.2616(2) 0.4123(2) 0.0238(11) Uani 1 1 d . . . . .
O10 O 0.9550(2) 0.2568(2) 0.3196(2) 0.0209(10) Uani 1 1 d . . . . .
O11 O 0.7698(3) 0.0773(2) 0.3025(2) 0.0282(12) Uani 1 1 d . . . . .
O12 O 0.7673(2) 0.1522(2) 0.4048(2) 0.0250(11) Uani 1 1 d . . . . .
N1 N 0.9961(3) 0.1000(3) 0.1895(3) 0.0240(13) Uani 1 1 d . . . . .
N2 N 1.0286(3) 0.0469(3) 0.2024(3) 0.0259(13) Uani 1 1 d . . . . .
N3 N 0.9462(4) 0.0496(4) 0.2609(4) 0.045(2) Uani 1 1 d . . . . .
C1 C 0.9466(4) 0.1008(4) 0.2250(4) 0.042(2) Uani 1 1 d . . . . .
C2 C 0.9973(4) 0.0166(4) 0.2454(4) 0.041(2) Uani 1 1 d . . . . .
O13 O 1.0047(5) 0.1394(4) 0.3815(5) 0.095(3) Uani 1 1 d . U . . .
O14 O 0.8941(6) 0.0974(6) 0.4532(6) 0.124(4) Uani 1 1 d . U . . .
O16 O 0.9295(6) 0.4295(6) 0.0705(6) 0.057(6) Uani 0.5 3 d S T P . .
O18 O 0.9873(12) 0.4043(11) 0.4007(12) 0.117(8) Uani 0.5 1 d . 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 Mo2 3.2076(7) . ?
Mo1 Mn1 3.1735(13) . ?
Mo1 O1 2.071(2) . ?
Mo1 O2 2.215(4) . ?
Mo1 O2 2.224(4) 8_645 ?
Mo1 O3 1.870(4) . ?
Mo1 O5 1.718(4) . ?
Mo1 O8 1.721(4) . ?
Mo2 Mo3 3.2150(7) . ?
Mo2 Mn1 3.1937(5) . ?
Mo2 O2 2.238(4) . ?
Mo2 O3 1.957(4) . ?
Mo2 O4 2.237(4) 8_645 ?
Mo2 O7 1.956(4) . ?
Mo2 O9 1.708(4) . ?
Mo2 O10 1.711(4) . ?
Ag1 O5 2.450(4) . ?
Ag1 O8 2.423(4) 11_556 ?
Ag1 O9 2.375(5) 18_755 ?
Ag1 O10 2.360(5) . ?
Ag1 O11 2.393(5) 22_665 ?
Ag1 O12 2.458(5) 18_755 ?
Mo3 Mn1 3.1726(13) . ?
Mo3 O4 2.230(4) 8_645 ?
Mo3 O4 2.219(4) . ?
Mo3 O6 2.060(3) . ?
Mo3 O7 1.878(4) . ?
Mo3 O11 1.716(5) . ?
Mo3 O12 1.724(4) . ?
Ag2 N1 2.143(6) . ?
Ag2 N2 2.145(6) 9_654 ?
Mn1 O2 1.900(4) 8_645 ?
Mn1 O2 1.900(4) . ?
Mn1 O2 1.900(4) 11_556 ?
Mn1 O4 1.895(4) 8_645 ?
Mn1 O4 1.896(4) . ?
Mn1 O4 1.895(4) 11_556 ?
N1 N2 1.366(8) . ?
N1 C1 1.310(10) . ?
N2 C2 1.316(10) . ?
N3 C1 1.346(11) . ?
N3 C2 1.349(11) . ?

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
Mn1 Mo1 Mo2 60.063(17) . . ?
O1 Mo1 Mo2 117.70(13) . . ?
O1 Mo1 Mn1 73.17(18) . . ?
O1 Mo1 O2 73.65(17) . . ?
O1 Mo1 O2 73.46(17) . 8_645 ?
O2 Mo1 Mo2 44.21(10) . . ?
O2 Mo1 Mo2 88.59(10) 8_645 . ?
O2 Mo1 Mn1 36.09(10) 8_645 . ?
O2 Mo1 Mn1 36.05(10) . . ?
O2 Mo1 O2 71.8(2) . 8_645 ?
O3 Mo1 Mo2 33.93(13) . . ?
O3 Mo1 Mn1 77.57(13) . . ?
O3 Mo1 O1 148.7(2) . . ?
O3 Mo1 O2 89.39(16) . 8_645 ?
O3 Mo1 O2 76.17(16) . . ?
O5 Mo1 Mo2 91.97(15) . . ?
O5 Mo1 Mn1 131.58(14) . . ?
O5 Mo1 O1 90.05(19) . . ?
O5 Mo1 O2 95.97(18) . . ?
O5 Mo1 O2 161.55(17) . 8_645 ?
O5 Mo1 O3 101.3(2) . . ?
O5 Mo1 O8 104.1(2) . . ?
O8 Mo1 Mo2 136.21(16) . . ?
O8 Mo1 Mn1 123.63(15) . . ?
O8 Mo1 O1 102.96(18) . . ?
O8 Mo1 O2 87.94(18) . 8_645 ?
O8 Mo1 O2 159.67(18) . . ?
O8 Mo1 O3 102.4(2) . . ?
Mo1 Mo2 Mo3 118.784(18) . . ?
Mn1 Mo2 Mo1 59.44(3) . . ?
Mn1 Mo2 Mo3 59.35(3) . . ?
O2 Mo2 Mo1 43.63(10) . . ?
O2 Mo2 Mo3 84.10(10) . . ?
O2 Mo2 Mn1 35.78(10) . . ?
O3 Mo2 Mo1 32.24(12) . . ?
O3 Mo2 Mo3 126.85(12) . . ?
O3 Mo2 Mn1 76.04(12) . . ?
O3 Mo2 O2 73.98(15) . . ?
O3 Mo2 O4 83.05(16) . 8_645 ?
O4 Mo2 Mo1 83.90(10) 8_645 . ?
O4 Mo2 Mo3 43.89(11) 8_645 . ?
O4 Mo2 Mn1 35.65(11) 8_645 . ?
O4 Mo2 O2 71.43(15) 8_645 . ?
O7 Mo2 Mo1 126.66(13) . . ?
O7 Mo2 Mo3 32.27(13) . . ?
O7 Mo2 Mn1 75.85(13) . . ?
O7 Mo2 O2 83.12(16) . . ?
O7 Mo2 O3 151.89(17) . . ?
O7 Mo2 O4 74.22(17) . 8_645 ?
O9 Mo2 Mo1 129.20(17) . . ?
O9 Mo2 Mo3 89.79(17) . . ?
O9 Mo2 Mn1 128.06(17) . . ?
O9 Mo2 O2 162.41(19) . . ?
O9 Mo2 O3 97.0(2) . . ?
O9 Mo2 O4 92.8(2) . 8_645 ?
O9 Mo2 O7 100.4(2) . . ?
O9 Mo2 O10 104.8(2) . . ?
O10 Mo2 Mo1 89.16(16) . . ?
O10 Mo2 Mo3 128.99(17) . . ?
O10 Mo2 Mn1 127.16(16) . . ?
O10 Mo2 O2 91.81(18) . . ?
O10 Mo2 O3 100.0(2) . . ?
O10 Mo2 O4 161.56(19) . 8_645 ?
O10 Mo2 O7 96.7(2) . . ?
O5 Ag1 O12 118.70(16) . 18_755 ?
O8 Ag1 O5 76.41(14) 11_556 . ?
O8 Ag1 O12 77.22(15) 11_556 18_755 ?
O9 Ag1 O5 79.59(15) 18_755 . ?
O9 Ag1 O8 136.79(17) 18_755 11_556 ?
O9 Ag1 O11 102.28(17) 18_755 22_665 ?
O9 Ag1 O12 83.71(17) 18_755 18_755 ?
O10 Ag1 O5 84.76(15) . . ?
O10 Ag1 O8 100.11(16) . 11_556 ?
O10 Ag1 O9 112.90(17) . 18_755 ?
O10 Ag1 O11 81.71(16) . 22_665 ?
O10 Ag1 O12 154.21(17) . 18_755 ?
O11 Ag1 O5 165.97(17) 22_665 . ?
O11 Ag1 O8 109.60(17) 22_665 11_556 ?
O11 Ag1 O12 75.30(17) 22_665 18_755 ?
Mn1 Mo3 Mo2 59.993(17) . . ?
O4 Mo3 Mo2 44.06(10) 8_645 . ?
O4 Mo3 Mo2 88.22(10) . . ?
O4 Mo3 Mn1 36.01(10) 8_645 . ?
O4 Mo3 Mn1 35.97(10) . . ?
O4 Mo3 O4 71.7(2) . 8_645 ?
O6 Mo3 Mo2 117.29(15) . . ?
O6 Mo3 Mn1 72.8(2) . . ?
O6 Mo3 O4 73.63(19) . . ?
O6 Mo3 O4 73.39(18) . 8_645 ?
O7 Mo3 Mo2 33.79(13) . . ?
O7 Mo3 Mn1 77.30(13) . . ?
O7 Mo3 O4 75.83(16) . 8_645 ?
O7 Mo3 O4 88.79(17) . . ?
O7 Mo3 O6 148.0(2) . . ?
O11 Mo3 Mo2 137.18(19) . . ?
O11 Mo3 Mn1 124.46(17) . . ?
O11 Mo3 O4 88.78(19) . . ?
O11 Mo3 O4 160.5(2) . 8_645 ?
O11 Mo3 O6 102.6(2) . . ?
O11 Mo3 O7 103.4(2) . . ?
O11 Mo3 O12 104.8(2) . . ?
O12 Mo3 Mo2 90.54(17) . . ?
O12 Mo3 Mn1 130.01(17) . . ?
O12 Mo3 O4 94.4(2) . 8_645 ?
O12 Mo3 O4 160.9(2) . . ?
O12 Mo3 O6 90.1(2) . . ?
O12 Mo3 O7 100.6(2) . . ?
N1 Ag2 N2 163.2(2) . 9_654 ?
Mo1 Mn1 Mo1 63.79(3) 11_556 8_645 ?
Mo1 Mn1 Mo1 63.79(3) 8_645 . ?
Mo1 Mn1 Mo1 63.79(3) 11_556 . ?
Mo3 Mn1 Mo1 172.334(12) 8_645 11_556 ?
Mo3 Mn1 Mo1 172.333(12) 11_556 . ?
Mo3 Mn1 Mo1 112.156(12) 8_645 . ?
Mo3 Mn1 Mo1 172.334(12) . 8_645 ?
Mo3 Mn1 Mo1 121.160(12) . . ?
Mo3 Mn1 Mo1 112.156(12) 11_556 8_645 ?
Mo3 Mn1 Mo1 121.159(12) 8_645 8_645 ?
Mo3 Mn1 Mo1 121.159(12) 11_556 11_556 ?
Mo3 Mn1 Mo1 112.156(12) . 11_556 ?
Mo3 Mn1 Mo3 63.64(3) . 8_645 ?
Mo3 Mn1 Mo3 63.64(3) 11_556 8_645 ?
Mo3 Mn1 Mo3 63.64(3) . 11_556 ?
O2 Mn1 Mo1 43.58(11) . 11_556 ?
O2 Mn1 Mo1 43.30(12) 8_645 8_645 ?
O2 Mn1 Mo1 89.87(13) 11_556 . ?
O2 Mn1 Mo1 43.30(12) 11_556 11_556 ?
O2 Mn1 Mo1 43.31(12) . . ?
O2 Mn1 Mo1 89.87(13) 8_645 11_556 ?
O2 Mn1 Mo1 43.58(11) 8_645 . ?
O2 Mn1 Mo1 89.88(13) . 8_645 ?
O2 Mn1 Mo1 43.58(11) 11_556 8_645 ?
O2 Mn1 Mo3 128.87(11) 11_556 . ?
O2 Mn1 Mo3 144.36(12) . 11_556 ?
O2 Mn1 Mo3 144.36(12) 11_556 8_645 ?
O2 Mn1 Mo3 128.87(11) 8_645 11_556 ?
O2 Mn1 Mo3 90.90(12) . . ?
O2 Mn1 Mo3 128.87(11) . 8_645 ?
O2 Mn1 Mo3 90.90(12) 8_645 8_645 ?
O2 Mn1 Mo3 144.36(12) 8_645 . ?
O2 Mn1 Mo3 90.90(12) 11_556 11_556 ?
O2 Mn1 O2 86.48(17) . 8_645 ?
O2 Mn1 O2 86.47(17) . 11_556 ?
O2 Mn1 O2 86.47(17) 11_556 8_645 ?
O4 Mn1 Mo1 143.89(13) 8_645 8_645 ?
O4 Mn1 Mo1 90.49(13) 8_645 . ?
O4 Mn1 Mo1 128.97(12) . 8_645 ?
O4 Mn1 Mo1 128.97(12) 11_556 . ?
O4 Mn1 Mo1 90.49(13) . 11_556 ?
O4 Mn1 Mo1 143.89(13) . . ?
O4 Mn1 Mo1 90.49(13) 11_556 8_645 ?
O4 Mn1 Mo1 128.97(12) 8_645 11_556 ?
O4 Mn1 Mo1 143.89(13) 11_556 11_556 ?
O4 Mn1 Mo3 43.78(13) . 11_556 ?
O4 Mn1 Mo3 43.78(13) 8_645 . ?
O4 Mn1 Mo3 90.06(14) 8_645 11_556 ?
O4 Mn1 Mo3 43.44(12) 8_645 8_645 ?
O4 Mn1 Mo3 43.45(12) . . ?
O4 Mn1 Mo3 43.78(13) 11_556 8_645 ?
O4 Mn1 Mo3 43.44(12) 11_556 11_556 ?
O4 Mn1 Mo3 90.06(13) . 8_645 ?
O4 Mn1 Mo3 90.06(13) 11_556 . ?
O4 Mn1 O2 86.99(16) 11_556 8_645 ?
O4 Mn1 O2 86.99(16) 8_645 . ?
O4 Mn1 O2 170.06(17) 8_645 11_556 ?
O4 Mn1 O2 170.06(17) . 8_645 ?
O4 Mn1 O2 100.58(17) 8_645 8_645 ?
O4 Mn1 O2 86.98(16) . 11_556 ?
O4 Mn1 O2 100.58(17) 11_556 11_556 ?
O4 Mn1 O2 100.58(17) . . ?
O4 Mn1 O2 170.06(17) 11_556 . ?
O4 Mn1 O4 86.87(19) 8_645 . ?
O4 Mn1 O4 86.87(19) 11_556 . ?
O4 Mn1 O4 86.87(19) 8_645 11_556 ?
Mo1 O1 Mo1 108.15(18) 8_645 11_556 ?
Mo1 O1 Mo1 108.14(18) 8_645 . ?
Mo1 O1 Mo1 108.15(18) 11_556 . ?
Mo1 O2 Mo1 98.15(15) . 11_556 ?
Mo1 O2 Mo2 154.40(19) 11_556 . ?
Mo1 O2 Mo2 92.15(14) . . ?
Mn1 O2 Mo1 100.33(16) . 11_556 ?
Mn1 O2 Mo1 100.65(17) . . ?
Mn1 O2 Mo2 100.70(17) . . ?
Mo1 O3 Mo2 113.8(2) . . ?
Mo3 O4 Mo2 92.05(15) 11_556 11_556 ?
Mo3 O4 Mo2 154.5(2) . 11_556 ?
Mo3 O4 Mo3 97.51(16) . 11_556 ?
Mn1 O4 Mo2 100.89(18) . 11_556 ?
Mn1 O4 Mo3 100.59(17) . . ?
Mn1 O4 Mo3 100.21(18) . 11_556 ?
Mo1 O5 Ag1 127.9(2) . . ?
Mo3 O6 Mo3 108.6(2) . 11_556 ?
Mo3 O6 Mo3 108.6(2) 11_556 8_645 ?
Mo3 O6 Mo3 108.6(2) . 8_645 ?
Mo3 O7 Mo2 113.9(2) . . ?
Mo1 O8 Ag1 137.0(2) . 8_645 ?
Mo2 O9 Ag1 132.7(3) . 24_657 ?
Mo2 O10 Ag1 133.8(2) . . ?
Mo3 O11 Ag1 137.1(3) . 19_646 ?
Mo3 O12 Ag1 129.1(3) . 24_657 ?
N2 N1 Ag2 121.3(4) . . ?
C1 N1 Ag2 130.6(5) . . ?
C1 N1 N2 107.9(6) . . ?
N1 N2 Ag2 123.5(4) . 5_645 ?
C2 N2 Ag2 129.1(5) . 5_645 ?
C2 N2 N1 107.2(6) . . ?
C1 N3 C2 106.5(7) . . ?
N1 C1 N3 109.1(7) . . ?
N2 C2 N3 109.2(7) . . ?

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
Mo1 Mo2 O9 Ag1 100.8(3) . . . 24_657 ?
Mo1 Mo2 O10 Ag1 -24.6(3) . . . . ?
Mo1 Mn1 O4 Mo2 -86.0(2) . . . 11_556 ?
Mo1 Mn1 O4 Mo2 -43.53(14) 11_556 . . 11_556 ?
Mo1 Mn1 O4 Mo2 12.3(2) 8_645 . . 11_556 ?
Mo1 Mn1 O4 Mo3 122.64(14) 11_556 . . . ?
Mo1 Mn1 O4 Mo3 178.51(5) 8_645 . . . ?
Mo1 Mn1 O4 Mo3 -137.64(13) 11_556 . . 11_556 ?
Mo1 Mn1 O4 Mo3 80.2(2) . . . . ?
Mo1 Mn1 O4 Mo3 -81.78(18) 8_645 . . 11_556 ?
Mo1 Mn1 O4 Mo3 179.89(7) . . . 11_556 ?
Mo2 Mo1 O5 Ag1 27.2(2) . . . . ?
Mo2 Mo1 O8 Ag1 -104.7(3) . . . 8_645 ?
Mo2 Mo3 O11 Ag1 -101.3(4) . . . 19_646 ?
Mo2 Mo3 O12 Ag1 27.9(3) . . . 24_657 ?
Mo3 Mo2 O9 Ag1 -27.4(3) . . . 24_657 ?
Mo3 Mo2 O10 Ag1 102.8(3) . . . . ?
Mo3 Mn1 O4 Mo2 144.12(13) 8_645 . . 11_556 ?
Mo3 Mn1 O4 Mo2 -166.2(3) . . . 11_556 ?
Mo3 Mn1 O4 Mo2 94.11(19) 11_556 . . 11_556 ?
Mo3 Mn1 O4 Mo3 -49.71(14) 8_645 . . . ?
Mo3 Mn1 O4 Mo3 99.7(2) . . . 11_556 ?
Mo3 Mn1 O4 Mo3 -99.7(2) 11_556 . . . ?
Mo3 Mn1 O4 Mo3 50.00(13) 8_645 . . 11_556 ?
Ag2 N1 N2 Ag2 8.4(8) . . . 5_645 ?
Ag2 N1 N2 C2 -175.9(6) . . . . ?
Ag2 N1 C1 N3 176.2(6) . . . . ?
Ag2 N2 C2 N3 174.3(6) 5_645 . . . ?
Mn1 Mo1 O3 Mo2 53.99(18) . . . . ?
Mn1 Mo1 O5 Ag1 -23.3(4) . . . . ?
Mn1 Mo1 O8 Ag1 -24.6(4) . . . 8_645 ?
Mn1 Mo2 O9 Ag1 22.0(5) . . . 24_657 ?
Mn1 Mo2 O10 Ag1 24.9(4) . . . . ?
Mn1 Mo3 O7 Mo2 54.20(18) . . . . ?
Mn1 Mo3 O11 Ag1 -20.0(5) . . . 19_646 ?
Mn1 Mo3 O12 Ag1 -21.9(4) . . . 24_657 ?
O1 Mo1 O3 Mo2 32.8(4) . . . . ?
O1 Mo1 O5 Ag1 -90.6(3) . . . . ?
O1 Mo1 O8 Ag1 53.6(4) . . . 8_645 ?
O2 Mo1 O3 Mo2 88.4(2) 8_645 . . . ?
O2 Mo1 O3 Mo2 16.97(19) . . . . ?
O2 Mo1 O5 Ag1 -17.0(3) . . . . ?
O2 Mo1 O5 Ag1 -64.3(7) 8_645 . . . ?
O2 Mo1 O8 Ag1 -24.2(8) . . . 8_645 ?
O2 Mo1 O8 Ag1 -18.9(4) 8_645 . . 8_645 ?
O2 Mo2 O9 Ag1 42.0(9) . . . 24_657 ?
O2 Mo2 O10 Ag1 19.0(3) . . . . ?
O2 Mn1 O4 Mo2 -0.35(17) 11_556 . . 11_556 ?
O2 Mn1 O4 Mo2 -86.19(18) . . . 11_556 ?
O2 Mn1 O4 Mo3 79.98(19) . . . . ?
O2 Mn1 O4 Mo3 -94.46(17) 11_556 . . 11_556 ?
O2 Mn1 O4 Mo3 179.70(16) . . . 11_556 ?
O2 Mn1 O4 Mo3 165.82(18) 11_556 . . . ?
O3 Mo1 O5 Ag1 60.1(3) . . . . ?
O3 Mo1 O8 Ag1 -107.8(4) . . . 8_645 ?
O3 Mo2 O9 Ag1 99.7(3) . . . 24_657 ?
O3 Mo2 O10 Ag1 -55.1(4) . . . . ?
O4 Mo2 O9 Ag1 16.4(3) 8_645 . . 24_657 ?
O4 Mo2 O10 Ag1 43.1(8) 8_645 . . . ?
O4 Mo3 O7 Mo2 88.6(2) . . . . ?
O4 Mo3 O7 Mo2 17.2(2) 8_645 . . . ?
O4 Mo3 O11 Ag1 -15.2(4) . . . 19_646 ?
O4 Mo3 O11 Ag1 -18.2(10) 8_645 . . 19_646 ?
O4 Mo3 O12 Ag1 -58.2(8) . . . 24_657 ?
O4 Mo3 O12 Ag1 -16.1(3) 8_645 . . 24_657 ?
O4 Mn1 O4 Mo2 -172.5(2) 8_645 . . 11_556 ?
O4 Mn1 O4 Mo2 100.4(3) 11_556 . . 11_556 ?
O4 Mn1 O4 Mo3 -6.36(18) 8_645 . . . ?
O4 Mn1 O4 Mo3 6.32(18) 11_556 . . 11_556 ?
O4 Mn1 O4 Mo3 93.35(3) 8_645 . . 11_556 ?
O4 Mn1 O4 Mo3 -93.39(3) 11_556 . . . ?
O5 Mo1 O3 Mo2 -76.5(2) . . . . ?
O5 Mo1 O8 Ag1 147.0(3) . . . 8_645 ?
O6 Mo3 O7 Mo2 33.1(4) . . . . ?
O6 Mo3 O11 Ag1 57.7(5) . . . 19_646 ?
O6 Mo3 O12 Ag1 -89.4(3) . . . 24_657 ?
O7 Mo2 O9 Ag1 -58.1(4) . . . 24_657 ?
O7 Mo2 O10 Ag1 102.3(3) . . . . ?
O7 Mo3 O11 Ag1 -103.7(4) . . . 19_646 ?
O7 Mo3 O12 Ag1 60.3(3) . . . 24_657 ?
O8 Mo1 O3 Mo2 176.1(2) . . . . ?
O8 Mo1 O5 Ag1 166.1(3) . . . . ?
O9 Mo2 O10 Ag1 -155.1(3) . . . . ?
O10 Mo2 O9 Ag1 -158.0(3) . . . 24_657 ?
O11 Mo3 O7 Mo2 177.1(2) . . . . ?
O11 Mo3 O12 Ag1 167.5(3) . . . 24_657 ?
O12 Mo3 O7 Mo2 -74.7(3) . . . . ?
O12 Mo3 O11 Ag1 151.3(4) . . . 19_646 ?
N1 N2 C2 N3 -1.0(11) . . . . ?
N2 N1 C1 N3 0.3(11) . . . . ?
C1 N1 N2 Ag2 -175.2(6) . . . 5_645 ?
C1 N1 N2 C2 0.5(10) . . . . ?
C1 N3 C2 N2 1.2(12) . . . . ?
C2 N3 C1 N1 -0.9(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.542
_oxdiff_exptl_absorpt_empirical_full_min 0.601
