# 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 2021

####################################################################### 
# 
# 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_ems_405_ap_abs_gaus
_database_code_depnum_ccdc_archive 'CCDC 2048099'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_audit_creation_date             2020-01-13
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C68 H50 Ag2 As8 Mo8 N2 O16, 2(F6 P), 2(C2 H3 N), 2.7(C H2 Cl2)'
_chemical_formula_sum            
'C74.70 H61.40 Ag2 As8 Cl5.40 F12 Mo8 N4 O16 P2'
_chemical_formula_weight         3335.06
_chemical_melting_point          ?
_chemical_oxdiff_formula         C76H64Ag2As8Cl8F12Mo8N4O16P2
_chemical_oxdiff_usercomment     'red block'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 '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                   12.9052(4)
_cell_length_b                   12.9624(3)
_cell_length_c                   16.0579(5)
_cell_angle_alpha                97.822(2)
_cell_angle_beta                 103.366(3)
_cell_angle_gamma                91.281(2)
_cell_volume                     2585.09(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    19466
_cell_measurement_temperature    122.97(13)
_cell_measurement_theta_max      74.4660
_cell_measurement_theta_min      3.3970
_shelx_estimated_absorpt_T_max   0.137
_shelx_estimated_absorpt_T_min   0.078
_exptl_absorpt_coefficient_mu    15.754
_exptl_absorpt_correction_T_max  0.263
_exptl_absorpt_correction_T_min  0.029
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.14a (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.142
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1589
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 1 -10 0.1407
0 -4 -8 0.1708
-2 0 10 0.1650
-1 1 -10 0.1301
1 -1 10 0.1508
-7 4 -1 0.1082
-5 7 0 0.1169
-1 8 0 0.1210
1 6 -8 0.1666
7 4 0 0.1399
8 0 0 0.0968
-8 0 -1 0.1104
8 -4 0 0.1033
4 -8 0 0.1070
-1 -8 0 0.1143
1 0 9 0.1395
-8 1 -1 0.0985
0 0 10 0.1408

_exptl_crystal_size_max          0.332
_exptl_crystal_size_mid          0.252
_exptl_crystal_size_min          0.209
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.3208 1.0030 -10.4106 -0.0321 -0.1267 0.9914
0.2719 -3.7140 -8.4293 0.1097 0.4654 0.8783
-2.0179 -0.1801 10.3543 0.0074 0.0235 -0.9997
-0.5288 1.1021 -9.9675 -0.3121 0.0650 0.9478
0.5161 -1.0966 9.9720 0.3106 -0.0647 -0.9483
-7.4728 3.5471 -0.5188 -0.9801 0.1985 -0.0059
-5.0000 7.0000 -0.0000 -0.9505 -0.3328 -0.1143
-1.0000 8.0000 0.0000 -0.6199 -0.7240 -0.1322
1.0000 6.0000 -8.0000 -0.4427 -0.5612 0.6755
7.0000 4.0000 0.0001 0.4321 -0.9087 -0.0687
8.0000 -0.0000 0.0001 0.7915 -0.5832 -0.0028
-8.0000 0.0000 -1.0001 -0.8104 0.5968 0.0997
8.0000 -4.0000 0.0001 1.0519 -0.1847 0.0635
4.0000 -8.0000 0.0000 0.9167 0.5053 0.1312
-1.0000 -8.0000 -0.0000 0.4220 0.8698 0.1329
1.0000 0.0000 9.0000 0.2687 -0.1959 -0.8725
-8.0000 1.0000 -1.0001 -0.8755 0.4972 0.0831
-0.0000 0.0000 10.0000 0.1886 -0.1367 -0.9690

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24671
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.232
_diffrn_reflns_theta_min         2.859
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      122.97(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.1818
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00 113.00   1.00    1.00    --   44.08  57.00   0.00   93
  2  ω    -25.00  68.00   1.00    1.00    --   44.08 -57.00-150.00   93
  3  ω     34.00 130.00   1.00    1.00    --   44.08-178.00-180.00   96
  4  ω     36.00  98.00   1.00    1.00    --  104.50 -45.00  30.00   62
  5  ω     33.00 135.00   1.00    1.00    --  104.50 -77.00 -60.00  102
  6  ω     32.00  91.00   1.00    1.00    --  104.50 -30.00  90.00   59
  7  ω     33.00 121.00   1.00    1.00    --  104.50-125.00-180.00   88
  8  ω     82.00 173.00   1.00    1.00    --  104.50  45.00-150.00   91
  9  ω     32.00  91.00   1.00    1.00    --  104.50 -30.00 -60.00   59
 10  ω     33.00 135.00   1.00    1.00    --  104.50 -77.00-180.00  102
 11  ω     27.00 141.00   1.00    1.00    --  104.50 -15.00-180.00  114
 12  ω     14.00 116.00   1.00    1.00    --   44.08  77.00 150.00  102
 13  ω     20.00 113.00   1.00    1.00    --   44.08  57.00  90.00   93
 14  ω     20.00 113.00   1.00    1.00    --   44.08  57.00 -90.00   93
 15  ω     82.00 173.00   1.00    1.00    --  104.50  45.00 -90.00   91
 16  ω     81.00 177.00   1.00    1.00    --  104.50  30.00   0.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0989354000
_diffrn_orient_matrix_UB_12      -0.0651159000
_diffrn_orient_matrix_UB_13      0.0188639000
_diffrn_orient_matrix_UB_21      -0.0728954000
_diffrn_orient_matrix_UB_22      -0.0996091000
_diffrn_orient_matrix_UB_23      -0.0136724000
_diffrn_orient_matrix_UB_31      -0.0003450000
_diffrn_orient_matrix_UB_32      -0.0165694000
_diffrn_orient_matrix_UB_33      -0.0969045000
_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              'GV50 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9574
_reflns_number_total             10080
_reflns_odcompleteness_completeness 99.26
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.29
_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 1.171.40.14a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.132
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       0.00124(4)
_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    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     696
_refine_ls_number_reflns         10080
_refine_ls_number_restraints     130
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0355
_refine_ls_restrained_S_all      1.054
_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)+(0.0611P)²+2.5543P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.0971
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl2-C37 = Cl1-C37
 1.77 with sigma of 0.01
 Cl5-Cl6
 2.9 with sigma of 0.02
 Cl1-C37 \\sim Cl2-C37
 with sigma of 0.02
 Cl3-C1A \\sim Cl4-C1A \\sim Cl5-C1B \\sim Cl6-C1B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C37 \\sim Cl2 \\sim Cl1: within 1.9A with sigma of 0.02 and sigma for terminal
atoms of 0.04 within 1.9A
C1B \\sim Cl3 \\sim C1A \\sim Cl4 \\sim Cl5 \\sim Cl6: within 1.9A with sigma
of 0.02 and sigma for terminal atoms of 0.04 within 1.9A
F5B \\sim F5A \\sim F2B \\sim F3B \\sim F1B \\sim F3A \\sim P1: within 1.9A
with sigma of 0.2 and sigma for terminal atoms of 0.2 within 1.9A
4. Others
 Fixed Sof: F3A(0.65) F5A(0.65) F6A(0.65) F4A(0.65) F1A(0.65) F2A(0.65)
 F5B(0.35) F1B(0.35) F4B(0.35) F6B(0.35) F2B(0.35) F3B(0.35) Cl1(0.75)
 Cl2(0.75) C37(0.75) H37A(0.75) H37B(0.75) Cl3(0.4) Cl4(0.4) C1A(0.4) H1AA(0.4)
 H1AB(0.4) Cl5(0.2) Cl6(0.2) C1B(0.2) H1BA(0.2) H1BB(0.2)
5.a Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C1A(H1AA,H1AB), C1B(H1BA,H1BB)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C30(H30), C29(H29), C32(H32), C12(H12), C33(H33), C14(H14),
 C13(H13), C7(H7), C11(H11), C6(H6), C34(H34), C20(H20), C19(H19), C24(H24),
 C5(H5), C17(H17), C25(H25), C10(H10), C21(H21), C18(H18), C26(H26), C28(H28),
 C27(H27)
5.c Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.51824(2) 0.22869(2) 0.59783(2) 0.02719(9) Uani 1 1 d . . . . .
Mo2 Mo 0.56450(2) 0.33178(2) 0.35432(2) 0.02291(9) Uani 1 1 d . . . . .
Mo1 Mo 0.77949(2) 0.31115(2) 0.47781(2) 0.02334(9) Uani 1 1 d . . . . .
Mo4 Mo 0.53654(3) 0.18464(3) 0.87330(2) 0.02852(9) Uani 1 1 d . . . . .
Mo3 Mo 0.73574(2) 0.30651(3) 0.86188(2) 0.02721(9) Uani 1 1 d . . . . .
As1 As 0.61166(3) 0.36811(3) 0.52541(3) 0.02317(11) Uani 1 1 d . . . . .
As2 As 0.60258(3) 0.19239(3) 0.45557(3) 0.02381(11) Uani 1 1 d . . . . .
As3 As 0.63367(3) 0.16403(3) 0.74360(3) 0.02632(11) Uani 1 1 d . . . . .
As4 As 0.53993(3) 0.31627(4) 0.76820(3) 0.02758(11) Uani 1 1 d . . . . .
P1 P 0.15699(10) 0.42615(10) 0.80400(8) 0.0373(3) Uani 1 1 d . U . . .
O1 O 0.8425(3) 0.1973(2) 0.6403(2) 0.0365(7) Uani 1 1 d . . . . .
O3 O 0.6136(2) 0.5722(2) 0.4076(2) 0.0352(7) Uani 1 1 d . . . . .
O2 O 0.8131(3) 0.1127(3) 0.3539(2) 0.0424(8) Uani 1 1 d . . . . .
N1 N 0.3413(3) 0.1712(3) 0.5614(2) 0.0275(7) Uani 1 1 d . . . . .
O4 O 0.3371(3) 0.3480(3) 0.3901(3) 0.0492(9) Uani 1 1 d . . . . .
O8 O 0.6688(3) -0.0131(3) 0.8923(3) 0.0512(9) Uani 1 1 d . . . . .
O7 O 0.3644(3) 0.0500(3) 0.7277(3) 0.0518(10) Uani 1 1 d . . . . .
O5 O 0.6432(4) 0.5073(3) 0.9415(3) 0.0561(10) Uani 1 1 d . . . . .
O6 O 0.7798(3) 0.4384(3) 0.7235(2) 0.0501(9) Uani 1 1 d . . . . .
C2 C 0.7953(3) 0.1824(3) 0.3986(3) 0.0300(9) Uani 1 1 d . . . . .
C23 C 0.6233(4) 0.0605(4) 0.8829(3) 0.0349(10) Uani 1 1 d . . . . .
C8 C 0.5947(3) 0.4837(3) 0.3920(3) 0.0284(8) Uani 1 1 d . . . . .
C1 C 0.8149(3) 0.2361(3) 0.5795(3) 0.0291(8) Uani 1 1 d . . . . .
C3 C 0.8360(3) 0.4881(3) 0.5170(3) 0.0355(10) Uani 1 1 d . . . . .
H3 H 0.793373 0.537735 0.540280 0.043 Uiso 1 1 calc R U . . .
C15 C 0.6737(4) 0.4328(4) 0.9120(3) 0.0378(10) Uani 1 1 d . . . . .
C16 C 0.7599(4) 0.3882(4) 0.7710(3) 0.0369(10) Uani 1 1 d . . . . .
C4 C 0.8362(3) 0.4621(3) 0.4288(3) 0.0345(10) Uani 1 1 d . . . . .
H4 H 0.794119 0.491889 0.382303 0.041 Uiso 1 1 calc R U . . .
C30 C 0.1696(3) 0.1738(3) 0.5958(3) 0.0305(9) Uani 1 1 d . . . . .
H30 H 0.124626 0.207068 0.629216 0.037 Uiso 1 1 calc R U . . .
C29 C 0.2735(3) 0.2127(3) 0.6070(3) 0.0286(8) Uani 1 1 d . . . . .
H29 H 0.298220 0.272026 0.649363 0.034 Uiso 1 1 calc R U . . .
C31 C 0.1312(3) 0.0858(3) 0.5353(3) 0.0314(9) Uani 1 1 d . . . . .
C32 C 0.2008(3) 0.0446(3) 0.4863(3) 0.0372(10) Uani 1 1 d . . . . .
H32 H 0.177427 -0.013353 0.442279 0.045 Uiso 1 1 calc R U . . .
C12 C 0.5893(4) 0.3738(4) 0.2234(3) 0.0401(11) Uani 1 1 d . . . . .
H12 H 0.616136 0.441346 0.219538 0.048 Uiso 1 1 calc R U . . .
C33 C 0.3037(3) 0.0875(3) 0.5015(3) 0.0348(10) Uani 1 1 d . . . . .
H33 H 0.349947 0.056560 0.468199 0.042 Uiso 1 1 calc R U . . .
C9 C 0.4218(3) 0.3435(4) 0.3800(3) 0.0338(9) Uani 1 1 d . . . . .
C14 C 0.4766(4) 0.2362(4) 0.2246(3) 0.0390(10) Uani 1 1 d . . . . .
H14 H 0.413575 0.194995 0.221416 0.047 Uiso 1 1 calc R U . . .
F3A F 0.1361(13) 0.5324(12) 0.7654(11) 0.101(5) Uani 0.65 1 d . U P A 1
F5A F 0.1801(11) 0.3250(11) 0.8443(9) 0.117(6) Uani 0.65 1 d . U P A 1
C13 C 0.4811(4) 0.3432(4) 0.2131(3) 0.0403(11) Uani 1 1 d . . . . .
H13 H 0.422233 0.385861 0.200699 0.048 Uiso 1 1 calc R U . . .
C22 C 0.4297(4) 0.0992(4) 0.7790(3) 0.0388(11) Uani 1 1 d . . . . .
C7 C 0.9109(4) 0.4270(4) 0.5644(3) 0.0399(11) Uani 1 1 d . . . . .
H7 H 0.927872 0.429243 0.625452 0.048 Uiso 1 1 calc R U . . .
C11 C 0.6510(4) 0.2874(4) 0.2406(3) 0.0393(10) Uani 1 1 d . . . . .
H11 H 0.726312 0.286186 0.249930 0.047 Uiso 1 1 calc R U . . .
C6 C 0.9558(3) 0.3628(4) 0.5065(4) 0.0404(11) Uani 1 1 d . . . . .
H6 H 1.007993 0.313518 0.520988 0.048 Uiso 1 1 calc R U . . .
C34 C 0.0223(3) 0.0424(3) 0.5257(3) 0.0343(9) Uani 1 1 d . . . . .
H34 H -0.019882 0.079102 0.559936 0.041 Uiso 1 1 calc R U . . .
C20 C 0.8268(4) 0.2130(4) 0.9709(3) 0.0416(11) Uani 1 1 d . . . . .
H20 H 0.791031 0.170080 1.000104 0.050 Uiso 1 1 calc R U . . .
C19 C 0.8551(4) 0.3205(5) 0.9961(4) 0.0491(13) Uani 1 1 d . . . . .
H19 H 0.841448 0.362355 1.045345 0.059 Uiso 1 1 calc R U . . .
C24 C 0.5596(5) 0.2900(5) 1.0098(3) 0.0476(12) Uani 1 1 d . . . . .
H24 H 0.621119 0.334965 1.035309 0.057 Uiso 1 1 calc R U . . .
C5 C 0.9089(4) 0.3847(4) 0.4216(4) 0.0401(11) Uani 1 1 d . . . . .
H5 H 0.924350 0.352499 0.369439 0.048 Uiso 1 1 calc R U . . .
C17 C 0.9109(4) 0.2684(5) 0.8724(4) 0.0454(12) Uani 1 1 d . . . . .
H17 H 0.941319 0.268908 0.823971 0.054 Uiso 1 1 calc R U . . .
C25 C 0.5462(5) 0.1841(5) 1.0200(3) 0.0479(12) Uani 1 1 d . . . . .
H25 H 0.597385 0.145727 1.053894 0.057 Uiso 1 1 calc R U . . .
C10 C 0.5796(5) 0.2024(4) 0.2413(3) 0.0411(11) Uani 1 1 d . . . . .
H10 H 0.599213 0.134242 0.251515 0.049 Uiso 1 1 calc R U . . .
C21 C 0.8612(4) 0.1806(4) 0.8945(3) 0.0428(12) Uani 1 1 d . . . . .
H21 H 0.852541 0.111946 0.863311 0.051 Uiso 1 1 calc R U . . .
C18 C 0.9072(4) 0.3554(5) 0.9357(4) 0.0469(12) Uani 1 1 d . . . . .
H18 H 0.934659 0.424365 0.937168 0.056 Uiso 1 1 calc R U . . .
N2 N 1.2357(6) -0.0570(6) 0.8763(5) 0.087(2) Uani 1 1 d . . . . .
C26 C 0.4424(5) 0.1445(5) 0.9707(4) 0.0521(14) Uani 1 1 d . . . . .
H26 H 0.412500 0.075672 0.965886 0.062 Uiso 1 1 calc R U . . .
C28 C 0.4643(5) 0.3168(5) 0.9542(4) 0.0527(14) Uani 1 1 d . . . . .
H28 H 0.450776 0.382979 0.936182 0.063 Uiso 1 1 calc R U . . .
F6A F 0.2503(7) 0.4882(7) 0.8736(5) 0.097(3) Uani 0.65 1 d . . P A 1
C27 C 0.3930(4) 0.2271(5) 0.9306(4) 0.0542(15) Uani 1 1 d . . . . .
H27 H 0.323358 0.223279 0.893901 0.065 Uiso 1 1 calc R U . . .
C35 C 1.1804(6) -0.0071(6) 0.8414(5) 0.0658(17) Uani 1 1 d . . . . .
C36 C 1.1071(7) 0.0596(7) 0.7917(6) 0.083(2) Uani 1 1 d . . . . .
H36A H 1.136654 0.079155 0.744738 0.124 Uiso 1 1 calc R U . . .
H36B H 1.097720 0.122620 0.829909 0.124 Uiso 1 1 calc R U . . .
H36C H 1.037853 0.021518 0.767349 0.124 Uiso 1 1 calc R U . . .
F4A F 0.0651(7) 0.3636(8) 0.7337(6) 0.106(3) Uani 0.65 1 d . . P A 1
F1A F 0.0774(9) 0.4593(6) 0.8615(9) 0.104(3) Uani 0.65 1 d . . P A 1
F2A F 0.2395(9) 0.4020(6) 0.7455(7) 0.090(3) Uani 0.65 1 d . . P A 1
F5B F 0.2781(9) 0.4129(17) 0.818(2) 0.131(9) Uani 0.35 1 d . U P A 2
F1B F 0.162(2) 0.4522(12) 0.9020(8) 0.106(6) Uani 0.35 1 d . U P A 2
F4B F 0.1469(12) 0.3052(12) 0.8161(10) 0.048(3) Uani 0.35 1 d . . P A 2
F6B F 0.1674(16) 0.5432(19) 0.7919(15) 0.054(4) Uani 0.35 1 d . . P A 2
F2B F 0.1435(18) 0.3908(9) 0.7035(8) 0.081(4) Uani 0.35 1 d . U P A 2
F3B F 0.0315(8) 0.4256(11) 0.7836(12) 0.072(3) Uani 0.35 1 d . U P A 2
Cl1 Cl 0.8639(6) 0.8425(4) 0.9717(3) 0.184(3) Uani 0.75 1 d D U P . .
Cl2 Cl 0.8432(4) 0.6409(3) 0.8721(3) 0.1263(14) Uani 0.75 1 d D U P . .
C37 C 0.8186(11) 0.7146(8) 0.9620(7) 0.115(5) Uani 0.75 1 d D U P . .
H37A H 0.854188 0.684921 1.014299 0.139 Uiso 0.75 1 calc R U P . .
H37B H 0.740949 0.711624 0.958285 0.139 Uiso 0.75 1 calc R U P . .
Cl3 Cl 0.7843(8) -0.0744(8) 0.7288(6) 0.088(2) Uani 0.4 1 d D U P B 1
Cl4 Cl 0.9560(6) -0.1755(7) 0.6758(5) 0.125(3) Uani 0.4 1 d D U P B 1
C1A C 0.8564(16) -0.1868(17) 0.7268(19) 0.100(6) Uani 0.4 1 d D U P B 1
H1AA H 0.886846 -0.199345 0.786790 0.120 Uiso 0.4 1 calc R U P B 1
H1AB H 0.807805 -0.247449 0.696705 0.120 Uiso 0.4 1 calc R U P B 1
Cl5 Cl 0.9984(13) -0.2122(16) 0.7622(14) 0.154(6) Uani 0.2 1 d D U P C 2
Cl6 Cl 0.802(2) -0.109(2) 0.733(2) 0.150(9) Uani 0.2 1 d D U P C 2
C1B C 0.882(2) -0.198(3) 0.690(2) 0.099(8) Uani 0.2 1 d D U P C 2
H1BA H 0.841833 -0.266805 0.672285 0.119 Uiso 0.2 1 calc R U P C 2
H1BB H 0.897765 -0.174862 0.638265 0.119 Uiso 0.2 1 calc R U P C 2


_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 As1 2.6823(5) . ?
Ag1 As2 2.7393(5) . ?
Ag1 As3 2.7164(5) . ?
Ag1 As4 2.7637(6) . ?
Ag1 N1 2.302(3) . ?
Mo2 Mo1 3.0553(4) . ?
Mo2 As1 2.6461(5) . ?
Mo2 As2 2.5729(5) . ?
Mo2 C8 1.983(4) . ?
Mo2 C12 2.330(5) . ?
Mo2 C9 1.983(5) . ?
Mo2 C14 2.303(4) . ?
Mo2 C13 2.301(5) . ?
Mo2 C11 2.366(5) . ?
Mo2 C10 2.343(5) . ?
Mo1 As1 2.5503(5) . ?
Mo1 As2 2.6507(5) . ?
Mo1 C2 2.000(4) . ?
Mo1 C1 1.982(4) . ?
Mo1 C3 2.347(4) . ?
Mo1 C4 2.367(4) . ?
Mo1 C7 2.301(4) . ?
Mo1 C6 2.281(4) . ?
Mo1 C5 2.318(4) . ?
Mo4 Mo3 3.0419(5) . ?
Mo4 As3 2.6553(6) . ?
Mo4 As4 2.5643(6) . ?
Mo4 C23 1.983(5) . ?
Mo4 C22 1.982(5) . ?
Mo4 C24 2.371(5) . ?
Mo4 C25 2.331(5) . ?
Mo4 C26 2.295(5) . ?
Mo4 C28 2.349(5) . ?
Mo4 C27 2.298(5) . ?
Mo3 As3 2.5561(5) . ?
Mo3 As4 2.6407(5) . ?
Mo3 C15 1.991(5) . ?
Mo3 C16 1.991(5) . ?
Mo3 C20 2.368(5) . ?
Mo3 C19 2.323(5) . ?
Mo3 C17 2.298(5) . ?
Mo3 C21 2.349(5) . ?
Mo3 C18 2.285(5) . ?
As1 As2 2.3858(6) . ?
As3 As4 2.3726(6) . ?
P1 F3A 1.590(17) . ?
P1 F5A 1.544(13) . ?
P1 F6A 1.561(6) . ?
P1 F4A 1.557(7) . ?
P1 F1A 1.562(7) . ?
P1 F2A 1.585(7) . ?
P1 F5B 1.544(11) . ?
P1 F1B 1.549(14) . ?
P1 F4B 1.611(16) . ?
P1 F6B 1.56(3) . ?
P1 F2B 1.584(11) . ?
P1 F3B 1.576(10) . ?
O1 C1 1.146(5) . ?
O3 C8 1.148(5) . ?
O2 C2 1.137(6) . ?
N1 C29 1.341(6) . ?
N1 C33 1.348(6) . ?
O4 C9 1.144(6) . ?
O8 C23 1.141(6) . ?
O7 C22 1.144(6) . ?
O5 C15 1.136(6) . ?
O6 C16 1.136(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.410(7) . ?
C3 C7 1.414(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.400(7) . ?
C30 H30 0.9500 . ?
C30 C29 1.385(6) . ?
C30 C31 1.393(6) . ?
C29 H29 0.9500 . ?
C31 C32 1.395(7) . ?
C31 C34 1.469(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.383(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.408(7) . ?
C12 C11 1.409(7) . ?
C33 H33 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.425(7) . ?
C14 C10 1.388(8) . ?
C13 H13 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.398(8) . ?
C11 H11 0.9500 . ?
C11 C10 1.423(7) . ?
C6 H6 0.9500 . ?
C6 C5 1.427(7) . ?
C34 C34 1.315(9) 2_556 ?
C34 H34 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.412(8) . ?
C20 C21 1.414(8) . ?
C19 H19 0.9500 . ?
C19 C18 1.416(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.416(8) . ?
C24 C28 1.423(8) . ?
C5 H5 0.9500 . ?
C17 H17 0.9500 . ?
C17 C21 1.419(8) . ?
C17 C18 1.420(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.432(9) . ?
C10 H10 0.9500 . ?
C21 H21 0.9500 . ?
C18 H18 0.9500 . ?
N2 C35 1.085(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.413(9) . ?
C28 H28 0.9500 . ?
C28 C27 1.418(9) . ?
C27 H27 0.9500 . ?
C35 C36 1.468(10) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Cl1 C37 1.720(8) . ?
Cl2 C37 1.717(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
Cl3 C1A 1.746(18) . ?
Cl4 C1A 1.689(15) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
Cl5 C1B 1.70(2) . ?
Cl6 C1B 1.74(2) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?

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
As1 Ag1 As2 52.201(13) . . ?
As1 Ag1 As3 118.165(16) . . ?
As1 Ag1 As4 105.770(16) . . ?
As2 Ag1 As4 149.395(16) . . ?
As3 Ag1 As2 115.542(17) . . ?
As3 Ag1 As4 51.302(14) . . ?
N1 Ag1 As1 127.19(9) . . ?
N1 Ag1 As2 109.78(9) . . ?
N1 Ag1 As3 114.12(9) . . ?
N1 Ag1 As4 100.60(9) . . ?
As1 Mo2 Mo1 52.548(12) . . ?
As2 Mo2 Mo1 55.396(12) . . ?
As2 Mo2 As1 54.382(14) . . ?
C8 Mo2 Mo1 84.70(11) . . ?
C8 Mo2 As1 71.22(12) . . ?
C8 Mo2 As2 124.53(12) . . ?
C8 Mo2 C12 82.92(18) . . ?
C8 Mo2 C9 89.88(18) . . ?
C8 Mo2 C14 132.36(18) . . ?
C8 Mo2 C13 96.35(18) . . ?
C8 Mo2 C11 106.11(18) . . ?
C8 Mo2 C10 139.98(18) . . ?
C12 Mo2 Mo1 110.39(13) . . ?
C12 Mo2 As1 149.45(13) . . ?
C12 Mo2 As2 142.49(13) . . ?
C12 Mo2 C11 34.91(18) . . ?
C12 Mo2 C10 58.46(18) . . ?
C9 Mo2 Mo1 128.83(13) . . ?
C9 Mo2 As1 77.56(13) . . ?
C9 Mo2 As2 88.56(13) . . ?
C9 Mo2 C12 119.34(19) . . ?
C9 Mo2 C14 85.87(19) . . ?
C9 Mo2 C13 86.82(19) . . ?
C9 Mo2 C11 142.82(18) . . ?
C9 Mo2 C10 116.76(19) . . ?
C14 Mo2 Mo1 132.61(13) . . ?
C14 Mo2 As1 151.54(13) . . ?
C14 Mo2 As2 102.80(13) . . ?
C14 Mo2 C12 58.98(18) . . ?
C14 Mo2 C11 58.41(17) . . ?
C14 Mo2 C10 34.74(19) . . ?
C13 Mo2 Mo1 144.34(13) . . ?
C13 Mo2 As1 159.82(13) . . ?
C13 Mo2 As2 138.84(13) . . ?
C13 Mo2 C12 35.39(18) . . ?
C13 Mo2 C14 36.07(18) . . ?
C13 Mo2 C11 58.67(17) . . ?
C13 Mo2 C10 58.88(18) . . ?
C11 Mo2 Mo1 86.68(12) . . ?
C11 Mo2 As1 139.13(12) . . ?
C11 Mo2 As2 107.84(13) . . ?
C10 Mo2 Mo1 98.37(13) . . ?
C10 Mo2 As1 140.15(12) . . ?
C10 Mo2 As2 87.54(12) . . ?
C10 Mo2 C11 35.17(18) . . ?
As1 Mo1 Mo2 55.455(13) . . ?
As1 Mo1 As2 54.567(14) . . ?
As2 Mo1 Mo2 53.030(12) . . ?
C2 Mo1 Mo2 87.38(12) . . ?
C2 Mo1 As1 127.46(12) . . ?
C2 Mo1 As2 73.84(12) . . ?
C2 Mo1 C3 142.72(17) . . ?
C2 Mo1 C4 110.82(18) . . ?
C2 Mo1 C7 128.47(18) . . ?
C2 Mo1 C6 93.62(18) . . ?
C2 Mo1 C5 84.43(18) . . ?
C1 Mo1 Mo2 130.01(12) . . ?
C1 Mo1 As1 88.19(12) . . ?
C1 Mo1 As2 78.66(12) . . ?
C1 Mo1 C2 91.15(17) . . ?
C1 Mo1 C3 110.74(17) . . ?
C1 Mo1 C4 139.93(17) . . ?
C1 Mo1 C7 81.57(18) . . ?
C1 Mo1 C6 87.62(17) . . ?
C1 Mo1 C5 122.63(17) . . ?
C3 Mo1 Mo2 99.52(12) . . ?
C3 Mo1 As1 84.47(12) . . ?
C3 Mo1 As2 138.28(11) . . ?
C3 Mo1 C4 34.81(17) . . ?
C4 Mo1 Mo2 85.58(11) . . ?
C4 Mo1 As1 102.49(11) . . ?
C4 Mo1 As2 138.52(11) . . ?
C7 Mo1 Mo2 134.81(13) . . ?
C7 Mo1 As1 103.36(14) . . ?
C7 Mo1 As2 150.49(13) . . ?
C7 Mo1 C3 35.40(17) . . ?
C7 Mo1 C4 58.44(17) . . ?
C7 Mo1 C5 59.09(19) . . ?
C6 Mo1 Mo2 142.36(13) . . ?
C6 Mo1 As1 138.78(14) . . ?
C6 Mo1 As2 161.04(13) . . ?
C6 Mo1 C3 59.11(17) . . ?
C6 Mo1 C4 58.93(16) . . ?
C6 Mo1 C7 35.5(2) . . ?
C6 Mo1 C5 36.14(18) . . ?
C5 Mo1 Mo2 106.95(13) . . ?
C5 Mo1 As1 137.24(13) . . ?
C5 Mo1 As2 150.25(14) . . ?
C5 Mo1 C3 58.44(18) . . ?
C5 Mo1 C4 34.77(17) . . ?
As3 Mo4 Mo3 52.785(13) . . ?
As4 Mo4 Mo3 55.413(14) . . ?
As4 Mo4 As3 54.039(15) . . ?
C23 Mo4 Mo3 87.67(13) . . ?
C23 Mo4 As3 72.21(13) . . ?
C23 Mo4 As4 125.68(13) . . ?
C23 Mo4 C24 110.9(2) . . ?
C23 Mo4 C25 84.8(2) . . ?
C23 Mo4 C26 94.0(2) . . ?
C23 Mo4 C28 143.2(2) . . ?
C23 Mo4 C27 129.2(2) . . ?
C22 Mo4 Mo3 128.63(14) . . ?
C22 Mo4 As3 77.38(15) . . ?
C22 Mo4 As4 87.37(13) . . ?
C22 Mo4 C23 88.3(2) . . ?
C22 Mo4 C24 143.5(2) . . ?
C22 Mo4 C25 123.9(2) . . ?
C22 Mo4 C26 89.5(2) . . ?
C22 Mo4 C28 114.2(2) . . ?
C22 Mo4 C27 84.7(2) . . ?
C24 Mo4 Mo3 84.39(15) . . ?
C24 Mo4 As3 137.18(15) . . ?
C24 Mo4 As4 103.99(14) . . ?
C25 Mo4 Mo3 106.63(15) . . ?
C25 Mo4 As3 148.66(14) . . ?
C25 Mo4 As4 139.00(15) . . ?
C25 Mo4 C24 35.0(2) . . ?
C25 Mo4 C28 58.6(2) . . ?
C26 Mo4 Mo3 141.85(17) . . ?
C26 Mo4 As3 161.05(17) . . ?
C26 Mo4 As4 139.99(16) . . ?
C26 Mo4 C24 59.4(2) . . ?
C26 Mo4 C25 36.1(2) . . ?
C26 Mo4 C28 59.4(2) . . ?
C26 Mo4 C27 35.8(2) . . ?
C28 Mo4 Mo3 98.41(16) . . ?
C28 Mo4 As3 138.62(15) . . ?
C28 Mo4 As4 85.85(14) . . ?
C28 Mo4 C24 35.1(2) . . ?
C27 Mo4 Mo3 133.80(18) . . ?
C27 Mo4 As3 151.91(15) . . ?
C27 Mo4 As4 104.19(16) . . ?
C27 Mo4 C24 58.9(2) . . ?
C27 Mo4 C25 59.2(2) . . ?
C27 Mo4 C28 35.5(2) . . ?
As3 Mo3 Mo4 55.820(14) . . ?
As3 Mo3 As4 54.301(15) . . ?
As4 Mo3 Mo4 53.079(13) . . ?
C15 Mo3 Mo4 86.86(15) . . ?
C15 Mo3 As3 125.58(14) . . ?
C15 Mo3 As4 71.95(14) . . ?
C15 Mo3 C20 111.58(19) . . ?
C15 Mo3 C19 85.6(2) . . ?
C15 Mo3 C17 130.1(2) . . ?
C15 Mo3 C21 143.87(19) . . ?
C15 Mo3 C18 94.8(2) . . ?
C16 Mo3 Mo4 129.98(13) . . ?
C16 Mo3 As3 89.46(13) . . ?
C16 Mo3 As4 77.95(13) . . ?
C16 Mo3 C15 87.1(2) . . ?
C16 Mo3 C20 141.98(19) . . ?
C16 Mo3 C19 121.6(2) . . ?
C16 Mo3 C17 83.6(2) . . ?
C16 Mo3 C21 114.0(2) . . ?
C16 Mo3 C18 87.6(2) . . ?
C20 Mo3 Mo4 85.35(13) . . ?
C20 Mo3 As3 103.82(13) . . ?
C20 Mo3 As4 138.40(13) . . ?
C19 Mo3 Mo4 107.38(15) . . ?
C19 Mo3 As3 138.78(15) . . ?
C19 Mo3 As4 149.96(15) . . ?
C19 Mo3 C20 35.0(2) . . ?
C19 Mo3 C21 58.5(2) . . ?
C17 Mo3 Mo4 134.45(15) . . ?
C17 Mo3 As3 103.28(15) . . ?
C17 Mo3 As4 150.56(14) . . ?
C17 Mo3 C20 58.87(19) . . ?
C17 Mo3 C19 59.4(2) . . ?
C17 Mo3 C21 35.55(19) . . ?
C21 Mo3 Mo4 99.08(13) . . ?
C21 Mo3 As3 85.35(13) . . ?
C21 Mo3 As4 138.64(13) . . ?
C21 Mo3 C20 34.88(19) . . ?
C18 Mo3 Mo4 142.40(15) . . ?
C18 Mo3 As3 139.34(15) . . ?
C18 Mo3 As4 160.65(15) . . ?
C18 Mo3 C20 59.10(19) . . ?
C18 Mo3 C19 35.8(2) . . ?
C18 Mo3 C17 36.1(2) . . ?
C18 Mo3 C21 59.39(19) . . ?
Mo2 As1 Ag1 113.682(17) . . ?
Mo1 As1 Ag1 115.680(18) . . ?
Mo1 As1 Mo2 71.998(15) . . ?
As2 As1 Ag1 65.131(16) . . ?
As2 As1 Mo2 61.245(16) . . ?
As2 As1 Mo1 64.859(16) . . ?
Mo2 As2 Ag1 114.181(18) . . ?
Mo2 As2 Mo1 71.574(14) . . ?
Mo1 As2 Ag1 110.549(17) . . ?
As1 As2 Ag1 62.669(16) . . ?
As1 As2 Mo2 64.373(16) . . ?
As1 As2 Mo1 60.574(15) . . ?
Mo4 As3 Ag1 113.405(18) . . ?
Mo3 As3 Ag1 116.376(19) . . ?
Mo3 As3 Mo4 71.395(16) . . ?
As4 As3 Ag1 65.381(17) . . ?
As4 As3 Mo4 61.023(17) . . ?
As4 As3 Mo3 64.667(17) . . ?
Mo4 As4 Ag1 114.800(19) . . ?
Mo4 As4 Mo3 71.508(15) . . ?
Mo3 As4 Ag1 112.009(19) . . ?
As3 As4 Ag1 63.318(17) . . ?
As3 As4 Mo4 64.938(17) . . ?
As3 As4 Mo3 61.032(16) . . ?
F5A P1 F3A 178.0(7) . . ?
F5A P1 F6A 91.7(6) . . ?
F5A P1 F4A 88.2(6) . . ?
F5A P1 F1A 92.1(7) . . ?
F5A P1 F2A 91.9(7) . . ?
F6A P1 F3A 86.3(6) . . ?
F6A P1 F1A 90.2(6) . . ?
F6A P1 F2A 87.6(5) . . ?
F4A P1 F3A 93.8(6) . . ?
F4A P1 F6A 179.2(6) . . ?
F4A P1 F1A 90.6(6) . . ?
F4A P1 F2A 91.6(6) . . ?
F1A P1 F3A 87.6(8) . . ?
F1A P1 F2A 175.5(4) . . ?
F2A P1 F3A 88.4(8) . . ?
F5B P1 F1B 93.9(14) . . ?
F5B P1 F4B 86.6(8) . . ?
F5B P1 F6B 93.1(10) . . ?
F5B P1 F2B 89.1(13) . . ?
F5B P1 F3B 172.9(13) . . ?
F1B P1 F4B 86.7(8) . . ?
F1B P1 F6B 93.6(11) . . ?
F1B P1 F2B 174.5(10) . . ?
F1B P1 F3B 90.2(11) . . ?
F6B P1 F4B 179.6(11) . . ?
F6B P1 F2B 90.8(9) . . ?
F6B P1 F3B 92.4(9) . . ?
F2B P1 F4B 88.9(7) . . ?
F3B P1 F4B 87.8(7) . . ?
F3B P1 F2B 86.3(10) . . ?
C29 N1 Ag1 120.5(3) . . ?
C29 N1 C33 116.7(4) . . ?
C33 N1 Ag1 122.3(3) . . ?
O2 C2 Mo1 174.0(4) . . ?
O8 C23 Mo4 175.0(4) . . ?
O3 C8 Mo2 174.7(4) . . ?
O1 C1 Mo1 174.7(4) . . ?
Mo1 C3 H3 121.7 . . ?
C4 C3 Mo1 73.3(2) . . ?
C4 C3 H3 126.2 . . ?
C4 C3 C7 107.6(4) . . ?
C7 C3 Mo1 70.5(2) . . ?
C7 C3 H3 126.2 . . ?
O5 C15 Mo3 176.5(5) . . ?
O6 C16 Mo3 175.1(4) . . ?
Mo1 C4 H4 123.2 . . ?
C3 C4 Mo1 71.8(2) . . ?
C3 C4 H4 125.9 . . ?
C5 C4 Mo1 70.7(2) . . ?
C5 C4 C3 108.3(4) . . ?
C5 C4 H4 125.9 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.7(4) . . ?
C31 C30 H30 120.1 . . ?
N1 C29 C30 123.7(4) . . ?
N1 C29 H29 118.1 . . ?
C30 C29 H29 118.1 . . ?
C30 C31 C32 116.4(4) . . ?
C30 C31 C34 119.7(4) . . ?
C32 C31 C34 123.9(4) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.4(4) . . ?
C33 C32 H32 119.8 . . ?
Mo2 C12 H12 120.9 . . ?
C13 C12 Mo2 71.2(3) . . ?
C13 C12 H12 125.7 . . ?
C13 C12 C11 108.6(4) . . ?
C11 C12 Mo2 73.9(3) . . ?
C11 C12 H12 125.7 . . ?
N1 C33 C32 122.9(4) . . ?
N1 C33 H33 118.6 . . ?
C32 C33 H33 118.6 . . ?
O4 C9 Mo2 176.2(4) . . ?
Mo2 C14 H14 119.9 . . ?
C13 C14 Mo2 71.9(3) . . ?
C13 C14 H14 125.8 . . ?
C10 C14 Mo2 74.2(3) . . ?
C10 C14 H14 125.8 . . ?
C10 C14 C13 108.5(4) . . ?
Mo2 C13 H13 120.0 . . ?
C12 C13 Mo2 73.4(3) . . ?
C12 C13 C14 107.2(4) . . ?
C12 C13 H13 126.4 . . ?
C14 C13 Mo2 72.0(3) . . ?
C14 C13 H13 126.4 . . ?
O7 C22 Mo4 176.2(5) . . ?
Mo1 C7 H7 120.5 . . ?
C3 C7 Mo1 74.1(2) . . ?
C3 C7 H7 125.7 . . ?
C6 C7 Mo1 71.5(3) . . ?
C6 C7 C3 108.6(5) . . ?
C6 C7 H7 125.7 . . ?
Mo2 C11 H11 122.7 . . ?
C12 C11 Mo2 71.2(3) . . ?
C12 C11 H11 126.3 . . ?
C12 C11 C10 107.4(4) . . ?
C10 C11 Mo2 71.6(3) . . ?
C10 C11 H11 126.3 . . ?
Mo1 C6 H6 119.3 . . ?
C7 C6 Mo1 73.0(2) . . ?
C7 C6 H6 126.3 . . ?
C7 C6 C5 107.5(4) . . ?
C5 C6 Mo1 73.3(3) . . ?
C5 C6 H6 126.3 . . ?
C31 C34 H34 117.0 . . ?
C34 C34 C31 126.1(6) 2_556 . ?
C34 C34 H34 117.0 2_556 . ?
Mo3 C20 H20 123.0 . . ?
C19 C20 Mo3 70.8(3) . . ?
C19 C20 H20 126.1 . . ?
C19 C20 C21 107.9(5) . . ?
C21 C20 Mo3 71.9(3) . . ?
C21 C20 H20 126.1 . . ?
Mo3 C19 H19 121.1 . . ?
C20 C19 Mo3 74.2(3) . . ?
C20 C19 H19 125.7 . . ?
C20 C19 C18 108.5(5) . . ?
C18 C19 Mo3 70.6(3) . . ?
C18 C19 H19 125.7 . . ?
Mo4 C24 H24 122.9 . . ?
C25 C24 Mo4 71.0(3) . . ?
C25 C24 H24 126.2 . . ?
C25 C24 C28 107.6(5) . . ?
C28 C24 Mo4 71.6(3) . . ?
C28 C24 H24 126.2 . . ?
Mo1 C5 H5 120.7 . . ?
C4 C5 Mo1 74.5(3) . . ?
C4 C5 C6 108.0(5) . . ?
C4 C5 H5 126.0 . . ?
C6 C5 Mo1 70.5(3) . . ?
C6 C5 H5 126.0 . . ?
Mo3 C17 H17 120.1 . . ?
C21 C17 Mo3 74.2(3) . . ?
C21 C17 H17 126.0 . . ?
C21 C17 C18 107.9(5) . . ?
C18 C17 Mo3 71.5(3) . . ?
C18 C17 H17 126.0 . . ?
Mo4 C25 H25 121.4 . . ?
C24 C25 Mo4 74.0(3) . . ?
C24 C25 H25 125.7 . . ?
C24 C25 C26 108.6(5) . . ?
C26 C25 Mo4 70.6(3) . . ?
C26 C25 H25 125.7 . . ?
Mo2 C10 H10 121.6 . . ?
C14 C10 Mo2 71.0(3) . . ?
C14 C10 C11 108.3(4) . . ?
C14 C10 H10 125.8 . . ?
C11 C10 Mo2 73.3(3) . . ?
C11 C10 H10 125.8 . . ?
Mo3 C21 H21 122.2 . . ?
C20 C21 Mo3 73.3(3) . . ?
C20 C21 C17 108.1(5) . . ?
C20 C21 H21 126.0 . . ?
C17 C21 Mo3 70.2(3) . . ?
C17 C21 H21 126.0 . . ?
Mo3 C18 H18 119.6 . . ?
C19 C18 Mo3 73.6(3) . . ?
C19 C18 C17 107.5(5) . . ?
C19 C18 H18 126.2 . . ?
C17 C18 Mo3 72.4(3) . . ?
C17 C18 H18 126.2 . . ?
Mo4 C26 H26 119.9 . . ?
C25 C26 Mo4 73.4(3) . . ?
C25 C26 H26 126.5 . . ?
C27 C26 Mo4 72.2(3) . . ?
C27 C26 C25 107.0(6) . . ?
C27 C26 H26 126.5 . . ?
Mo4 C28 H28 122.1 . . ?
C24 C28 Mo4 73.3(3) . . ?
C24 C28 H28 126.0 . . ?
C27 C28 Mo4 70.3(3) . . ?
C27 C28 C24 107.9(5) . . ?
C27 C28 H28 126.0 . . ?
Mo4 C27 H27 120.0 . . ?
C26 C27 Mo4 72.0(3) . . ?
C26 C27 C28 108.8(5) . . ?
C26 C27 H27 125.6 . . ?
C28 C27 Mo4 74.2(3) . . ?
C28 C27 H27 125.6 . . ?
N2 C35 C36 178.2(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Cl1 C37 H37A 109.3 . . ?
Cl1 C37 H37B 109.3 . . ?
Cl2 C37 Cl1 111.7(6) . . ?
Cl2 C37 H37A 109.3 . . ?
Cl2 C37 H37B 109.3 . . ?
H37A C37 H37B 107.9 . . ?
Cl3 C1A H1AA 109.4 . . ?
Cl3 C1A H1AB 109.4 . . ?
Cl4 C1A Cl3 111.3(14) . . ?
Cl4 C1A H1AA 109.4 . . ?
Cl4 C1A H1AB 109.4 . . ?
H1AA C1A H1AB 108.0 . . ?
Cl5 C1B Cl6 112.5(19) . . ?
Cl5 C1B H1BA 109.1 . . ?
Cl5 C1B H1BB 109.1 . . ?
Cl6 C1B H1BA 109.1 . . ?
Cl6 C1B H1BB 109.1 . . ?
H1BA C1B H1BB 107.8 . . ?

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 C29 C30 -171.9(3) . . . . ?
Ag1 N1 C33 C32 172.0(4) . . . . ?
Mo2 C12 C13 C14 -64.6(3) . . . . ?
Mo2 C12 C11 C10 62.8(3) . . . . ?
Mo2 C14 C13 C12 65.5(3) . . . . ?
Mo2 C14 C10 C11 -64.2(3) . . . . ?
Mo2 C11 C10 C14 62.8(3) . . . . ?
Mo1 C3 C4 C5 -61.7(3) . . . . ?
Mo1 C3 C7 C6 63.6(3) . . . . ?
Mo1 C4 C5 C6 -63.0(3) . . . . ?
Mo1 C7 C6 C5 65.8(3) . . . . ?
Mo1 C6 C5 C4 65.6(3) . . . . ?
Mo4 C24 C25 C26 -62.5(4) . . . . ?
Mo4 C24 C28 C27 62.1(4) . . . . ?
Mo4 C25 C26 C27 -64.8(4) . . . . ?
Mo4 C26 C27 C28 -65.6(4) . . . . ?
Mo4 C28 C27 C26 64.1(4) . . . . ?
Mo3 C20 C19 C18 -62.7(3) . . . . ?
Mo3 C20 C21 C17 62.0(3) . . . . ?
Mo3 C19 C18 C17 -65.0(3) . . . . ?
Mo3 C17 C21 C20 -63.9(3) . . . . ?
Mo3 C17 C18 C19 65.7(3) . . . . ?
C3 C4 C5 Mo1 62.4(3) . . . . ?
C3 C4 C5 C6 -0.6(5) . . . . ?
C3 C7 C6 Mo1 -65.3(3) . . . . ?
C3 C7 C6 C5 0.5(5) . . . . ?
C4 C3 C7 Mo1 -64.4(3) . . . . ?
C4 C3 C7 C6 -0.9(5) . . . . ?
C30 C31 C32 C33 3.0(7) . . . . ?
C30 C31 C34 C34 -176.8(6) . . . 2_556 ?
C29 N1 C33 C32 -0.1(7) . . . . ?
C29 C30 C31 C32 -2.7(6) . . . . ?
C29 C30 C31 C34 177.7(4) . . . . ?
C31 C30 C29 N1 1.1(7) . . . . ?
C31 C32 C33 N1 -1.7(8) . . . . ?
C32 C31 C34 C34 3.7(10) . . . 2_556 ?
C12 C11 C10 Mo2 -62.5(3) . . . . ?
C12 C11 C10 C14 0.2(5) . . . . ?
C33 N1 C29 C30 0.4(6) . . . . ?
C13 C12 C11 Mo2 -63.2(3) . . . . ?
C13 C12 C11 C10 -0.4(5) . . . . ?
C13 C14 C10 Mo2 64.2(3) . . . . ?
C13 C14 C10 C11 0.0(5) . . . . ?
C7 C3 C4 Mo1 62.6(3) . . . . ?
C7 C3 C4 C5 0.9(5) . . . . ?
C7 C6 C5 Mo1 -65.6(3) . . . . ?
C7 C6 C5 C4 0.1(5) . . . . ?
C11 C12 C13 Mo2 65.0(3) . . . . ?
C11 C12 C13 C14 0.4(5) . . . . ?
C34 C31 C32 C33 -177.4(5) . . . . ?
C20 C19 C18 Mo3 65.0(3) . . . . ?
C20 C19 C18 C17 0.1(5) . . . . ?
C19 C20 C21 Mo3 -62.0(3) . . . . ?
C19 C20 C21 C17 0.0(5) . . . . ?
C24 C25 C26 Mo4 64.7(4) . . . . ?
C24 C25 C26 C27 -0.1(6) . . . . ?
C24 C28 C27 Mo4 -64.1(4) . . . . ?
C24 C28 C27 C26 0.0(6) . . . . ?
C25 C24 C28 Mo4 -62.2(3) . . . . ?
C25 C24 C28 C27 -0.1(6) . . . . ?
C25 C26 C27 Mo4 65.6(4) . . . . ?
C25 C26 C27 C28 0.0(6) . . . . ?
C10 C14 C13 Mo2 -65.7(3) . . . . ?
C10 C14 C13 C12 -0.2(5) . . . . ?
C21 C20 C19 Mo3 62.7(3) . . . . ?
C21 C20 C19 C18 -0.1(5) . . . . ?
C21 C17 C18 Mo3 -65.8(3) . . . . ?
C21 C17 C18 C19 -0.1(5) . . . . ?
C18 C17 C21 Mo3 64.0(3) . . . . ?
C18 C17 C21 C20 0.0(5) . . . . ?
C28 C24 C25 Mo4 62.7(3) . . . . ?
C28 C24 C25 C26 0.1(6) . . . . ?

_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 1.883
_oxdiff_exptl_absorpt_empirical_full_min 0.723
####################################################################### 
# 
# 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_js233_ap_abs_gaus
_database_code_depnum_ccdc_archive 'CCDC 2048103'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_audit_creation_date             2020-03-16
_audit_creation_method           
;
Olex2 1.3-alpha
(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         
'C21 H17 Ag As2 Mo2 N2 O4, C2 H3 N, F6 P1, 1.5[C2H3N]'
_chemical_formula_sum            'C23 H20 Ag As2 F6 Mo2 N3 O4 P'
_chemical_formula_weight         996.98
_chemical_melting_point          ?
_chemical_oxdiff_formula         AgAs2C26F6H24.5Mo2N4.5O4P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0159 0.0077 '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 0.1266 3.5824 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -1.1920 0.8741 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0638 0.0444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.1627 2.3047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0271 0.0147 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0440 0.0271 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2712 0.3600 '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                   10.8770(2)
_cell_length_b                   13.3926(2)
_cell_length_c                   13.6762(2)
_cell_angle_alpha                100.5570(10)
_cell_angle_beta                 111.5570(10)
_cell_angle_gamma                100.6310(10)
_cell_volume                     1751.07(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12332
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      69.6790
_cell_measurement_theta_min      3.2180
_shelx_estimated_absorpt_T_max   0.577
_shelx_estimated_absorpt_T_min   0.307
_exptl_absorpt_coefficient_mu    9.962
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.363
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.54a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             954
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-8 1 4 0.0423
8 -1 -4 0.0326
-6 8 0 0.0554
4 -9 1 0.0650
-3 -8 4 0.0584
-7 0 -1 0.0400
0 -1 -9 0.0440
7 -1 -1 0.0253
0 1 9 0.0195
0 -5 -6 0.0557
-6 -2 -1 0.0420
-7 5 5 0.0408
-5 8 -3 0.0547

_exptl_crystal_size_max          0.155
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.062
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-7.7670 0.7524 3.7306 0.0075 0.0055 1.0000
7.7670 -0.7524 -3.7306 -0.0075 -0.0055 -1.0000
-5.6459 7.7801 0.2356 -0.7001 -0.2892 0.6528
3.6815 -9.1376 1.2378 0.8530 0.3533 -0.3841
-3.1877 -7.8851 4.3362 0.8024 0.3344 0.4943
-6.8294 0.3521 -0.6454 0.1763 -0.4198 0.8903
0.2691 -0.8311 -8.6706 0.3835 -0.9235 -0.0091
7.4383 -0.5677 -1.2576 -0.1040 0.2452 -0.9639
-0.2691 0.8311 8.6706 -0.3835 0.9235 0.0091
-0.3531 -4.5205 -6.2805 0.7219 -0.6835 0.1079
-5.9964 -2.0664 -0.9640 0.4285 -0.4035 0.8084
-7.1994 4.5943 4.5611 -0.4576 0.1114 0.8822
-4.5546 8.0073 -2.7411 -0.6527 -0.5570 0.5135

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21688
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        56.650
_diffrn_reflns_theta_max         69.506
_diffrn_reflns_theta_min         3.153
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.1818
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -22.00  28.00   0.50    4.50    --  -43.14  38.00 150.00  100
  2  ω    -27.00  69.00   0.50    4.50    --   43.14 -57.00-120.00  192
  3  ω     18.00 113.00   0.50    4.50    --   43.14  57.00  30.00  190
  4  ω     97.00 170.00   0.50   17.50    --   95.79 125.00 120.00  146
  5  ω     26.00  93.00   0.50   17.50    --   95.79 -61.00 -90.00  134
  6  ω     27.00 112.00   0.50   17.50    --   95.79-125.00 120.00  170
  7  ω     17.00  46.00   0.50   17.50    --   95.79 -15.00 -30.00   58
  8  ω     13.00 106.00   0.50   17.50    --   95.79 -95.00-120.00  186
  9  ω     23.00  57.00   0.50   17.50    --   95.79 -30.00   0.00   68
 10  ω     17.00  46.00   0.50   17.50    --   95.79 -15.00  90.00   58
 11  ω     23.00  57.00   0.50   17.50    --   95.79 -30.00 120.00   68
 12  ω     71.00 166.00   0.50   17.50    --   95.79  45.00 -90.00  190
 13  ω     22.00 127.00   0.50   17.50    --   95.79 -77.00 120.00  210
 14  ω     18.00 113.00   0.50    4.50    --   43.14  57.00-180.00  190
 15  ω     18.00 113.00   0.50    4.50    --   43.14  57.00 120.00  190
 16  ω     18.00 113.00   0.50    4.50    --   43.14  57.00 -90.00  190
 17  ω     69.00 169.00   0.50   17.50    --   95.79  30.00 150.00  200
 18  ω     71.00 166.00   0.50   17.50    --   95.79  45.00  60.00  190
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0281904000
_diffrn_orient_matrix_UB_12      -0.1094013000
_diffrn_orient_matrix_UB_13      -0.0346162000
_diffrn_orient_matrix_UB_21      0.0510410000
_diffrn_orient_matrix_UB_22      -0.0034169000
_diffrn_orient_matrix_UB_23      0.1084213000
_diffrn_orient_matrix_UB_31      -0.1307457000
_diffrn_orient_matrix_UB_32      -0.0109137000
_diffrn_orient_matrix_UB_33      -0.0019671000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\b'
_diffrn_radiation_wavelength     1.39222
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'GV50 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7586
_reflns_number_total             8567
_reflns_odcompleteness_completeness 99.53
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     63.18
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.020
_refine_diff_density_min         -1.200
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     705
_refine_ls_number_reflns         8567
_refine_ls_number_restraints     342
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0301
_refine_ls_restrained_S_all      1.024
_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)+(0.0327P)²+0.7930P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0746
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 P1B-F6B \\sim P1B-F2B \\sim P1B-F3B \\sim P1B-F5B \\sim P1B-F4B \\sim P1C-F4C
\\sim P1A-F6A \\sim P1C-F1C
 \\sim P1A-F4A \\sim P1A-F5A \\sim P1A-F1A \\sim P1C-F2C \\sim P1C-F5C \\sim
P1A-F2A \\sim P1B-F1B \\sim P1C-
 F3C \\sim P1A-F3A \\sim P1C-F6C
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 F3B, P1B, F6B, F2B, F1B, F5B, F4B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F3C, P1C, F1C, F2C, F4C, F5C, F6C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F3A, P1A, F4A, F5A, F2A, F6A, F1A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: Mo2A(0.58) Mo1A(0.76) O4A(0.58) C14A(0.58) C18A(0.63) H18A(0.63)
 C19A(0.63) H19A(0.63) C4A(0.68) H4A(0.68) C12A(0.58) H12A(0.58) O1A(0.68)
 O3B(0.58) C3A(0.68) H3A(0.68) C8A(0.58) H8A(0.58) C5A(0.68) H5A(0.68)
 C9A(0.58) H9A(0.58) O2A(0.68) C1A(0.68) H1A(0.68) C13B(0.58) C2A(0.68)
 H2A(0.68) C7A(0.68) C6A(0.68) C11A(0.58) H11A(0.58) C10A(0.58) H10A(0.58)
 C11B(0.42) H11B(0.42) C10B(0.42) H10B(0.42) C9B(0.42) H9B(0.42) C8B(0.42)
 H8B(0.42) C12B(0.42) H12B(0.42) C14B(0.42) O4B(0.42) O3A(0.42) C13A(0.42)
 C6B(0.32) O1B(0.32) C3B(0.32) H3B(0.32) C4B(0.32) H4B(0.32) C5B(0.32)
 H5B(0.32) C1B(0.32) H1B(0.32) C2B(0.32) H2B(0.32) O2B(0.32) C7B(0.32)
 C18B(0.37) H18B(0.37) C19B(0.37) H19B(0.37) Mo1B(0.24) Mo2B(0.42) P1A(0.35)
 F4A(0.35) F5A(0.35) F2A(0.35) F6A(0.35) F1A(0.35) F3A(0.35) P1B(0.25)
 F4B(0.25) F1B(0.25) F2B(0.25) F3B(0.25) F6B(0.25) F5B(0.25) P1C(0.4) F1C(0.4)
 F2C(0.4) F3C(0.4) F4C(0.4) F5C(0.4) F6C(0.4)
5.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C16(H16), C18A(H18A), C19A(H19A), C4A(H4A), C12A(H12A), C3A(H3A),
 C8A(H8A), C5A(H5A), C9A(H9A), C1A(H1A), C2A(H2A), C11A(H11A), C10A(H10A),
 C11B(H11B), C10B(H10B), C9B(H9B), C8B(H8B), C12B(H12B), C3B(H3B), C4B(H4B),
 C5B(H5B), C1B(H1B), C2B(H2B), C18B(H18B), C19B(H19B)
5.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_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 0.86902(2) 0.52715(2) 0.44647(2) 0.03356(6) Uani 1 1 d . . . . .
Mo2A Mo 0.80129(19) 0.4907(2) 0.7348(2) 0.0332(3) Uani 0.58 1 d . . P A 1
Mo1A Mo 0.72514(9) 0.26994(10) 0.57354(9) 0.03578(16) Uani 0.76 1 d . . P A 1
As2 As 0.90970(3) 0.43236(3) 0.60591(3) 0.03655(8) Uani 1 1 d . . . . .
As1 As 0.68449(3) 0.45128(3) 0.52447(3) 0.03910(9) Uani 1 1 d . . . . .
N1 N 0.7368(3) 0.5116(2) 0.2653(2) 0.0384(6) Uani 1 1 d . . . . .
O4A O 1.0509(10) 0.4489(7) 0.8930(6) 0.0473(15) Uani 0.58 1 d . . P A 1
N2 N 0.9049(3) 0.7139(3) 0.5056(2) 0.0506(7) Uani 1 1 d . . . . .
C20 C 0.9031(3) 0.7927(3) 0.5505(3) 0.0419(7) Uani 1 1 d . . . . .
C17 C 0.5511(3) 0.5021(3) 0.0548(2) 0.0348(6) Uani 1 1 d . . . . .
C15 C 0.7198(3) 0.5985(3) 0.2350(2) 0.0378(6) Uani 1 1 d . . . . .
H15 H 0.772236 0.664920 0.286728 0.045 Uiso 1 1 calc R U . . .
C16 C 0.6295(3) 0.5975(3) 0.1319(2) 0.0359(6) Uani 1 1 d . . . . .
H16 H 0.621516 0.662041 0.114230 0.043 Uiso 1 1 calc R U . . .
C14A C 0.9573(19) 0.4665(10) 0.8326(12) 0.038(2) Uani 0.58 1 d . . P A 1
C18A C 0.5853(10) 0.4138(9) 0.0803(8) 0.042(2) Uani 0.63 1 d . . P B 1
H18A H 0.546232 0.348078 0.025459 0.051 Uiso 0.63 1 calc R U P B 1
C21 C 0.9018(5) 0.8934(3) 0.6087(5) 0.0704(13) Uani 1 1 d . . . . .
H21A H 0.848209 0.926997 0.556444 0.106 Uiso 1 1 calc R U . . .
H21B H 0.996231 0.938794 0.649362 0.106 Uiso 1 1 calc R U . . .
H21C H 0.859967 0.882963 0.659762 0.106 Uiso 1 1 calc R U . . .
C19A C 0.6773(11) 0.4186(11) 0.1860(9) 0.043(2) Uani 0.63 1 d . . P B 1
H19A H 0.697959 0.356060 0.202113 0.052 Uiso 0.63 1 calc R U P B 1
C4A C 0.8010(14) 0.2141(11) 0.7368(8) 0.045(2) Uani 0.68 1 d . . P A 1
H4A H 0.812833 0.255767 0.805408 0.054 Uiso 0.68 1 calc R U P A 1
C12A C 0.7361(18) 0.4689(14) 0.8712(12) 0.047(3) Uani 0.58 1 d . . P A 1
H12A H 0.783203 0.433312 0.920820 0.056 Uiso 0.58 1 calc R U P A 1
O1A O 0.7115(7) 0.2228(4) 0.3374(4) 0.0664(13) Uani 0.68 1 d . . P A 1
O3B O 0.9345(11) 0.7153(7) 0.7556(6) 0.081(3) Uani 0.58 1 d . . P A 2
C3A C 0.6789(12) 0.1394(13) 0.6564(12) 0.054(3) Uani 0.68 1 d . . P A 1
H3A H 0.593835 0.122344 0.662604 0.065 Uiso 0.68 1 calc R U P A 1
C8A C 0.6189(18) 0.4209(8) 0.7786(14) 0.044(3) Uani 0.58 1 d . . P A 1
H8A H 0.570141 0.348156 0.754448 0.053 Uiso 0.58 1 calc R U P A 1
C5A C 0.9034(8) 0.2143(6) 0.6939(6) 0.0440(15) Uani 0.68 1 d . . P A 1
H5A H 0.996635 0.255561 0.729763 0.053 Uiso 0.68 1 calc R U P A 1
N3 N 0.8258(7) 0.2706(5) -0.0108(4) 0.1063(18) Uani 1 1 d . . . . .
C9A C 0.5827(13) 0.4989(10) 0.7246(9) 0.049(3) Uani 0.58 1 d . . P A 1
H9A H 0.506395 0.488062 0.657338 0.058 Uiso 0.58 1 calc R U P A 1
O2A O 0.4104(7) 0.2413(8) 0.4831(7) 0.095(2) Uani 0.68 1 d . . P A 1
C1A C 0.8402(9) 0.1421(6) 0.5888(8) 0.0496(15) Uani 0.68 1 d . . P A 1
H1A H 0.883722 0.127923 0.540967 0.059 Uiso 0.68 1 calc R U P A 1
C13B C 0.8764(14) 0.6279(13) 0.7447(10) 0.067(4) Uani 0.58 1 d . . P A 2
C2A C 0.7027(10) 0.0944(7) 0.5662(7) 0.058(2) Uani 0.68 1 d . . P A 1
H2A H 0.637960 0.041533 0.501921 0.070 Uiso 0.68 1 calc R U P A 1
C7A C 0.5261(11) 0.2552(9) 0.5156(9) 0.058(2) Uani 0.68 1 d . . P A 1
C6A C 0.7146(8) 0.2393(5) 0.4229(5) 0.0461(13) Uani 0.68 1 d . . P A 1
C11A C 0.7784(12) 0.5779(10) 0.8838(9) 0.061(3) Uani 0.58 1 d . . P A 1
H11A H 0.855184 0.628601 0.942662 0.073 Uiso 0.58 1 calc R U P A 1
C10A C 0.6826(14) 0.5967(10) 0.7906(10) 0.067(4) Uani 0.58 1 d . . P A 1
H10A H 0.684743 0.663067 0.774857 0.081 Uiso 0.58 1 calc R U P A 1
C22 C 0.7669(8) 0.2109(5) 0.0156(5) 0.096(2) Uani 1 1 d . . . . .
C23 C 0.6911(10) 0.1348(6) 0.0524(7) 0.128(3) Uani 1 1 d . . . . .
H23A H 0.746361 0.140180 0.129169 0.191 Uiso 1 1 calc R U . . .
H23B H 0.672318 0.063044 0.007559 0.191 Uiso 1 1 calc R U . . .
H23C H 0.604070 0.150281 0.045170 0.191 Uiso 1 1 calc R U . . .
C11B C 0.7177(13) 0.5516(15) 0.8651(13) 0.053(4) Uani 0.42 1 d . . P A 2
H11B H 0.782200 0.611391 0.922119 0.064 Uiso 0.42 1 calc R U P A 2
C10B C 0.6190(16) 0.5556(15) 0.7637(11) 0.051(4) Uani 0.42 1 d . . P A 2
H10B H 0.606499 0.617863 0.742287 0.061 Uiso 0.42 1 calc R U P A 2
C9B C 0.5438(15) 0.4522(12) 0.7011(14) 0.045(3) Uani 0.42 1 d . . P A 2
H9B H 0.470947 0.431940 0.630155 0.054 Uiso 0.42 1 calc R U P A 2
C8B C 0.596(2) 0.3827(13) 0.7626(17) 0.041(3) Uani 0.42 1 d . . P A 2
H8B H 0.564438 0.307753 0.738862 0.049 Uiso 0.42 1 calc R U P A 2
C12B C 0.705(3) 0.445(2) 0.868(2) 0.052(6) Uani 0.42 1 d . . P A 2
H12B H 0.756782 0.420010 0.926157 0.062 Uiso 0.42 1 calc R U P A 2
C14B C 0.958(2) 0.4367(13) 0.8137(15) 0.036(3) Uani 0.42 1 d . . P A 2
O4B O 1.0525(15) 0.4135(14) 0.8642(9) 0.073(4) Uani 0.42 1 d . . P A 2
O3A O 1.0076(13) 0.6967(9) 0.7540(7) 0.085(4) Uani 0.42 1 d . . P A 1
C13A C 0.9302(15) 0.6215(9) 0.7441(10) 0.050(3) Uani 0.42 1 d . . P A 1
C6B C 0.6531(15) 0.2506(11) 0.3993(11) 0.043(3) Uani 0.32 1 d . . P A 2
O1B O 0.6256(14) 0.2302(9) 0.3068(8) 0.065(3) Uani 0.32 1 d . . P A 2
C3B C 0.634(3) 0.141(2) 0.629(2) 0.054(6) Uani 0.32 1 d . . P A 2
H3B H 0.554235 0.135480 0.642679 0.064 Uiso 0.32 1 calc R U P A 2
C4B C 0.772(4) 0.195(2) 0.7014(16) 0.053(6) Uani 0.32 1 d . . P A 2
H4B H 0.801058 0.229487 0.776464 0.063 Uiso 0.32 1 calc R U P A 2
C5B C 0.861(2) 0.1902(15) 0.6479(15) 0.049(4) Uani 0.32 1 d . . P A 2
H5B H 0.956859 0.222204 0.678464 0.059 Uiso 0.32 1 calc R U P A 2
C1B C 0.776(2) 0.1275(14) 0.5386(14) 0.056(4) Uani 0.32 1 d . . P A 2
H1B H 0.805462 0.109401 0.482285 0.068 Uiso 0.32 1 calc R U P A 2
C2B C 0.643(2) 0.0979(13) 0.5289(14) 0.052(4) Uani 0.32 1 d . . P A 2
H2B H 0.567502 0.054143 0.464167 0.062 Uiso 0.32 1 calc R U P A 2
O2B O 0.3974(13) 0.2901(11) 0.5114(14) 0.069(4) Uani 0.32 1 d . . P A 2
C7B C 0.509(2) 0.2895(16) 0.5302(18) 0.046(4) Uani 0.32 1 d . . P A 2
C18B C 0.5476(17) 0.4087(16) 0.0940(14) 0.036(3) Uani 0.37 1 d . . P B 2
H18B H 0.483739 0.342428 0.049888 0.043 Uiso 0.37 1 calc R U P B 2
C19B C 0.6406(18) 0.4208(17) 0.1973(15) 0.036(3) Uani 0.37 1 d . . P B 2
H19B H 0.637920 0.360284 0.224250 0.043 Uiso 0.37 1 calc R U P B 2
Mo1B Mo 0.6921(3) 0.2773(3) 0.5546(3) 0.0293(4) Uani 0.24 1 d . . P A 2
Mo2B Mo 0.7710(3) 0.4776(2) 0.7273(3) 0.0307(4) Uani 0.42 1 d . . P A 2
P1A P 0.3007(10) 0.0925(9) 0.7305(8) 0.0425(13) Uani 0.35 1 d D . P C 1
F4A F 0.2006(19) 0.156(2) 0.7542(18) 0.056(3) Uani 0.35 1 d D . P C 1
F5A F 0.1813(13) 0.0222(19) 0.6175(12) 0.094(5) Uani 0.35 1 d D . P C 1
F2A F 0.3950(15) 0.0268(12) 0.7015(14) 0.081(4) Uani 0.35 1 d D . P C 1
F6A F 0.4249(11) 0.1693(10) 0.8378(9) 0.067(3) Uani 0.35 1 d D . P C 1
F1A F 0.3489(13) 0.1651(13) 0.6632(11) 0.072(3) Uani 0.35 1 d D . P C 1
F3A F 0.268(2) 0.0137(17) 0.7968(18) 0.079(5) Uani 0.35 1 d D . P C 1
P1B P 0.3523(15) 0.0852(11) 0.7651(11) 0.084(4) Uani 0.25 1 d D . P D 2
F4B F 0.251(3) 0.147(2) 0.787(3) 0.158(10) Uani 0.25 1 d D . P D 2
F1B F 0.340(3) 0.103(3) 0.6517(16) 0.133(7) Uani 0.25 1 d D . P D 2
F2B F 0.454(3) 0.0264(19) 0.741(3) 0.094(6) Uani 0.25 1 d D . P D 2
F3B F 0.387(3) 0.0538(18) 0.8740(14) 0.163(8) Uani 0.25 1 d D . P D 2
F6B F 0.4778(17) 0.1877(11) 0.827(2) 0.091(6) Uani 0.25 1 d D . P D 2
F5B F 0.2346(15) -0.0215(11) 0.7062(19) 0.099(6) Uani 0.25 1 d D . P D 2
P1C P 0.3181(13) 0.0878(9) 0.7489(9) 0.062(3) Uani 0.4 1 d D . P E 3
F1C F 0.204(3) 0.147(2) 0.732(2) 0.088(6) Uani 0.4 1 d D . P E 3
F2C F 0.227(3) 0.024(2) 0.6274(12) 0.167(9) Uani 0.4 1 d D . P E 3
F3C F 0.435(2) 0.0296(16) 0.769(2) 0.163(9) Uani 0.4 1 d D . P E 3
F4C F 0.392(2) 0.1520(15) 0.8730(9) 0.139(6) Uani 0.4 1 d D . P E 3
F5C F 0.382(2) 0.1859(9) 0.7174(18) 0.129(7) Uani 0.4 1 d D . P E 3
F6C F 0.226(2) 0.0002(19) 0.775(2) 0.092(6) Uani 0.4 1 d D . P E 3


_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 Ag1 2.9798(4) 2_766 ?
Ag1 As2 2.6599(4) . ?
Ag1 As2 2.7437(4) 2_766 ?
Ag1 As1 2.7235(4) . ?
Ag1 N1 2.309(2) . ?
Ag1 N2 2.393(3) . ?
Mo2A Mo1A 3.108(3) . ?
Mo2A As2 2.543(3) . ?
Mo2A As1 2.583(3) . ?
Mo2A C14A 1.862(18) . ?
Mo2A C12A 2.273(13) . ?
Mo2A C8A 2.359(16) . ?
Mo2A C9A 2.354(13) . ?
Mo2A C11A 2.278(13) . ?
Mo2A C10A 2.295(13) . ?
Mo2A C13A 1.982(12) . ?
Mo1A As2 2.5180(13) . ?
Mo1A As1 2.7055(11) . ?
Mo1A C4A 2.389(12) . ?
Mo1A C3A 2.327(15) . ?
Mo1A C5A 2.379(7) . ?
Mo1A C1A 2.297(8) . ?
Mo1A C2A 2.298(9) . ?
Mo1A C7A 1.969(11) . ?
Mo1A C6A 1.982(7) . ?
As2 As1 2.3734(4) . ?
As2 Mo1B 2.615(4) . ?
As2 Mo2B 2.685(3) . ?
As1 Mo1B 2.450(3) . ?
As1 Mo2B 2.511(3) . ?
N1 C15 1.327(4) . ?
N1 C19A 1.355(14) . ?
N1 C19B 1.36(2) . ?
O4A C14A 1.15(2) . ?
N2 C20 1.127(5) . ?
C20 C21 1.440(6) . ?
C17 C17 1.485(5) 2_665 ?
C17 C16 1.383(4) . ?
C17 C18A 1.371(12) . ?
C17 C18B 1.448(19) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(4) . ?
C16 H16 0.9500 . ?
C18A H18A 0.9500 . ?
C18A C19A 1.405(16) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C19A H19A 0.9500 . ?
C4A H4A 0.9500 . ?
C4A C3A 1.417(18) . ?
C4A C5A 1.436(16) . ?
C12A H12A 0.9500 . ?
C12A C8A 1.36(2) . ?
C12A C11A 1.41(2) . ?
O1A C6A 1.136(8) . ?
O3B C13B 1.177(17) . ?
C3A H3A 0.9500 . ?
C3A C2A 1.404(19) . ?
C8A H8A 0.9500 . ?
C8A C9A 1.42(2) . ?
C5A H5A 0.9500 . ?
C5A C1A 1.412(10) . ?
N3 C22 1.126(9) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.425(15) . ?
O2A C7A 1.135(13) . ?
C1A H1A 0.9500 . ?
C1A C2A 1.406(12) . ?
C13B Mo2B 2.049(17) . ?
C2A H2A 0.9500 . ?
C11A H11A 0.9500 . ?
C11A C10A 1.418(17) . ?
C10A H10A 0.9500 . ?
C22 C23 1.468(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C11B H11B 0.9500 . ?
C11B C10B 1.43(2) . ?
C11B C12B 1.42(3) . ?
C11B Mo2B 2.281(16) . ?
C10B H10B 0.9500 . ?
C10B C9B 1.40(2) . ?
C10B Mo2B 2.263(13) . ?
C9B H9B 0.9500 . ?
C9B C8B 1.42(3) . ?
C9B Mo2B 2.312(15) . ?
C8B H8B 0.9500 . ?
C8B C12B 1.46(4) . ?
C8B Mo2B 2.342(19) . ?
C12B H12B 0.9500 . ?
C12B Mo2B 2.37(2) . ?
C14B O4B 1.14(2) . ?
C14B Mo2B 2.17(2) . ?
O3A C13A 1.138(15) . ?
C6B O1B 1.153(16) . ?
C6B Mo1B 1.955(13) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.41(4) . ?
C3B C2B 1.43(3) . ?
C3B Mo1B 2.34(3) . ?
C4B H4B 0.9500 . ?
C4B C5B 1.41(4) . ?
C4B Mo1B 2.43(3) . ?
C5B H5B 0.9500 . ?
C5B C1B 1.43(2) . ?
C5B Mo1B 2.442(17) . ?
C1B H1B 0.9500 . ?
C1B C2B 1.37(3) . ?
C1B Mo1B 2.357(15) . ?
C2B H2B 0.9500 . ?
C2B Mo1B 2.294(17) . ?
O2B C7B 1.15(2) . ?
C7B Mo1B 1.93(2) . ?
C18B H18B 0.9500 . ?
C18B C19B 1.36(3) . ?
C19B H19B 0.9500 . ?
Mo1B Mo2B 2.975(5) . ?
P1A F4A 1.583(10) . ?
P1A F5A 1.582(10) . ?
P1A F2A 1.577(10) . ?
P1A F6A 1.585(10) . ?
P1A F1A 1.600(10) . ?
P1A F3A 1.585(12) . ?
P1B F4B 1.573(13) . ?
P1B F1B 1.575(13) . ?
P1B F2B 1.564(13) . ?
P1B F3B 1.553(13) . ?
P1B F6B 1.581(12) . ?
P1B F5B 1.573(12) . ?
P1C F1C 1.570(12) . ?
P1C F2C 1.561(11) . ?
P1C F3C 1.575(12) . ?
P1C F4C 1.572(11) . ?
P1C F5C 1.577(11) . ?
P1C F6C 1.577(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
As2 Ag1 Ag1 55.199(9) 2_766 2_766 ?
As2 Ag1 Ag1 57.888(9) . 2_766 ?
As2 Ag1 As2 113.087(10) . 2_766 ?
As2 Ag1 As1 52.302(10) . . ?
As1 Ag1 Ag1 109.998(12) . 2_766 ?
As1 Ag1 As2 164.634(13) . 2_766 ?
N1 Ag1 Ag1 131.56(7) . 2_766 ?
N1 Ag1 As2 145.00(7) . . ?
N1 Ag1 As2 85.77(7) . 2_766 ?
N1 Ag1 As1 104.49(7) . . ?
N1 Ag1 N2 94.78(10) . . ?
N2 Ag1 Ag1 109.69(8) . 2_766 ?
N2 Ag1 As2 88.23(8) . 2_766 ?
N2 Ag1 As2 114.17(7) . . ?
N2 Ag1 As1 102.03(8) . . ?
As2 Mo2A Mo1A 51.75(5) . . ?
As2 Mo2A As1 55.15(6) . . ?
As1 Mo2A Mo1A 55.86(5) . . ?
C14A Mo2A Mo1A 91.4(3) . . ?
C14A Mo2A As2 80.0(4) . . ?
C14A Mo2A As1 134.4(4) . . ?
C14A Mo2A C12A 79.0(7) . . ?
C14A Mo2A C8A 106.1(7) . . ?
C14A Mo2A C9A 137.1(6) . . ?
C14A Mo2A C11A 86.9(5) . . ?
C14A Mo2A C10A 122.5(4) . . ?
C14A Mo2A C13A 84.9(7) . . ?
C12A Mo2A Mo1A 108.2(5) . . ?
C12A Mo2A As2 150.4(5) . . ?
C12A Mo2A As1 137.1(5) . . ?
C12A Mo2A C8A 34.1(6) . . ?
C12A Mo2A C9A 58.1(6) . . ?
C12A Mo2A C11A 36.0(5) . . ?
C12A Mo2A C10A 59.1(6) . . ?
C8A Mo2A Mo1A 87.0(3) . . ?
C8A Mo2A As2 138.7(3) . . ?
C8A Mo2A As1 103.0(4) . . ?
C9A Mo2A Mo1A 100.5(3) . . ?
C9A Mo2A As2 138.4(3) . . ?
C9A Mo2A As1 84.1(3) . . ?
C9A Mo2A C8A 35.0(5) . . ?
C11A Mo2A Mo1A 143.7(4) . . ?
C11A Mo2A As2 160.6(3) . . ?
C11A Mo2A As1 138.6(3) . . ?
C11A Mo2A C8A 59.0(5) . . ?
C11A Mo2A C9A 59.6(4) . . ?
C11A Mo2A C10A 36.1(4) . . ?
C10A Mo2A Mo1A 135.9(3) . . ?
C10A Mo2A As2 150.3(4) . . ?
C10A Mo2A As1 102.5(3) . . ?
C10A Mo2A C8A 58.8(5) . . ?
C10A Mo2A C9A 35.7(4) . . ?
C13A Mo2A Mo1A 126.2(4) . . ?
C13A Mo2A As2 74.9(4) . . ?
C13A Mo2A As1 90.6(4) . . ?
C13A Mo2A C12A 123.4(6) . . ?
C13A Mo2A C8A 145.3(5) . . ?
C13A Mo2A C9A 118.1(6) . . ?
C13A Mo2A C11A 89.8(5) . . ?
C13A Mo2A C10A 87.3(6) . . ?
As2 Mo1A Mo2A 52.49(5) . . ?
As2 Mo1A As1 53.90(3) . . ?
As1 Mo1A Mo2A 52.22(6) . . ?
C4A Mo1A Mo2A 83.8(3) . . ?
C4A Mo1A As2 105.9(3) . . ?
C4A Mo1A As1 135.7(3) . . ?
C3A Mo1A Mo2A 109.3(4) . . ?
C3A Mo1A As2 140.6(3) . . ?
C3A Mo1A As1 148.4(4) . . ?
C3A Mo1A C4A 34.9(4) . . ?
C3A Mo1A C5A 58.1(3) . . ?
C5A Mo1A Mo2A 94.5(2) . . ?
C5A Mo1A As2 86.43(19) . . ?
C5A Mo1A As1 137.9(2) . . ?
C5A Mo1A C4A 35.1(4) . . ?
C1A Mo1A Mo2A 129.0(3) . . ?
C1A Mo1A As2 102.9(2) . . ?
C1A Mo1A As1 152.57(17) . . ?
C1A Mo1A C4A 58.7(4) . . ?
C1A Mo1A C3A 58.6(4) . . ?
C1A Mo1A C5A 35.1(3) . . ?
C1A Mo1A C2A 35.6(3) . . ?
C2A Mo1A Mo2A 142.3(2) . . ?
C2A Mo1A As2 138.5(2) . . ?
C2A Mo1A As1 162.8(2) . . ?
C2A Mo1A C4A 58.9(4) . . ?
C2A Mo1A C3A 35.3(5) . . ?
C2A Mo1A C5A 58.8(3) . . ?
C7A Mo1A Mo2A 93.8(3) . . ?
C7A Mo1A As2 126.0(3) . . ?
C7A Mo1A As1 72.2(3) . . ?
C7A Mo1A C4A 111.0(5) . . ?
C7A Mo1A C3A 85.5(4) . . ?
C7A Mo1A C5A 143.3(4) . . ?
C7A Mo1A C1A 129.7(4) . . ?
C7A Mo1A C2A 94.7(4) . . ?
C7A Mo1A C6A 90.2(4) . . ?
C6A Mo1A Mo2A 127.2(2) . . ?
C6A Mo1A As2 83.6(2) . . ?
C6A Mo1A As1 79.7(2) . . ?
C6A Mo1A C4A 142.1(4) . . ?
C6A Mo1A C3A 123.5(5) . . ?
C6A Mo1A C5A 112.4(3) . . ?
C6A Mo1A C1A 83.5(3) . . ?
C6A Mo1A C2A 89.4(3) . . ?
Ag1 As2 Ag1 66.914(10) . 2_766 ?
Ag1 As2 Mo2B 113.63(8) . . ?
Mo2A As2 Ag1 146.91(5) . 2_766 ?
Mo2A As2 Ag1 113.93(6) . . ?
Mo1A As2 Ag1 135.24(3) . 2_766 ?
Mo1A As2 Ag1 117.20(2) . . ?
Mo1A As2 Mo2A 75.75(6) . . ?
As1 As2 Ag1 131.841(16) . 2_766 ?
As1 As2 Ag1 65.229(12) . . ?
As1 As2 Mo2A 63.28(5) . . ?
As1 As2 Mo1A 67.09(2) . . ?
As1 As2 Mo1B 58.60(5) . . ?
As1 As2 Mo2B 59.14(7) . . ?
Mo1B As2 Ag1 109.75(6) . . ?
Mo1B As2 Mo2B 68.29(10) . . ?
Mo2A As1 Ag1 110.55(5) . . ?
Mo2A As1 Mo1A 71.93(7) . . ?
Mo1A As1 Ag1 109.02(3) . . ?
As2 As1 Ag1 62.469(11) . . ?
As2 As1 Mo2A 61.57(5) . . ?
As2 As1 Mo1A 59.01(2) . . ?
As2 As1 Mo1B 65.64(6) . . ?
As2 As1 Mo2B 66.62(6) . . ?
Mo1B As1 Ag1 112.90(8) . . ?
Mo1B As1 Mo2B 73.69(11) . . ?
Mo2B As1 Ag1 117.36(6) . . ?
C15 N1 Ag1 118.8(2) . . ?
C15 N1 C19A 117.1(6) . . ?
C15 N1 C19B 115.3(8) . . ?
C19A N1 Ag1 124.1(5) . . ?
C19B N1 Ag1 122.2(8) . . ?
C20 N2 Ag1 160.4(3) . . ?
N2 C20 C21 179.5(5) . . ?
C16 C17 C17 121.3(4) . 2_665 ?
C16 C17 C18B 116.5(8) . . ?
C18A C17 C17 122.1(6) . 2_665 ?
C18A C17 C16 116.1(5) . . ?
C18B C17 C17 120.4(8) . 2_665 ?
N1 C15 H15 118.3 . . ?
N1 C15 C16 123.4(3) . . ?
C16 C15 H15 118.3 . . ?
C17 C16 C15 119.8(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
O4A C14A Mo2A 177.9(15) . . ?
C17 C18A H18A 119.4 . . ?
C17 C18A C19A 121.2(10) . . ?
C19A C18A H18A 119.4 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N1 C19A C18A 120.8(11) . . ?
N1 C19A H19A 119.6 . . ?
C18A C19A H19A 119.6 . . ?
Mo1A C4A H4A 122.7 . . ?
C3A C4A Mo1A 70.1(7) . . ?
C3A C4A H4A 126.8 . . ?
C3A C4A C5A 106.4(9) . . ?
C5A C4A Mo1A 72.1(5) . . ?
C5A C4A H4A 126.8 . . ?
Mo2A C12A H12A 118.6 . . ?
C8A C12A Mo2A 76.4(9) . . ?
C8A C12A H12A 124.4 . . ?
C8A C12A C11A 111.2(15) . . ?
C11A C12A Mo2A 72.2(8) . . ?
C11A C12A H12A 124.4 . . ?
Mo1A C3A H3A 120.3 . . ?
C4A C3A Mo1A 75.0(8) . . ?
C4A C3A H3A 125.2 . . ?
C2A C3A Mo1A 71.2(7) . . ?
C2A C3A C4A 109.7(11) . . ?
C2A C3A H3A 125.2 . . ?
Mo2A C8A H8A 123.7 . . ?
C12A C8A Mo2A 69.5(9) . . ?
C12A C8A H8A 126.1 . . ?
C12A C8A C9A 107.8(12) . . ?
C9A C8A Mo2A 72.3(8) . . ?
C9A C8A H8A 126.1 . . ?
Mo1A C5A H5A 123.3 . . ?
C4A C5A Mo1A 72.9(6) . . ?
C4A C5A H5A 126.2 . . ?
C1A C5A Mo1A 69.2(4) . . ?
C1A C5A C4A 107.5(7) . . ?
C1A C5A H5A 126.2 . . ?
Mo2A C9A H9A 122.6 . . ?
C8A C9A Mo2A 72.7(9) . . ?
C8A C9A H9A 126.5 . . ?
C8A C9A C10A 107.0(11) . . ?
C10A C9A Mo2A 69.9(7) . . ?
C10A C9A H9A 126.5 . . ?
Mo1A C1A H1A 118.5 . . ?
C5A C1A Mo1A 75.7(4) . . ?
C5A C1A H1A 125.4 . . ?
C2A C1A Mo1A 72.3(5) . . ?
C2A C1A C5A 109.1(7) . . ?
C2A C1A H1A 125.4 . . ?
O3B C13B Mo2B 178.2(9) . . ?
Mo1A C2A H2A 119.9 . . ?
C3A C2A Mo1A 73.4(7) . . ?
C3A C2A C1A 107.2(9) . . ?
C3A C2A H2A 126.4 . . ?
C1A C2A Mo1A 72.1(5) . . ?
C1A C2A H2A 126.4 . . ?
O2A C7A Mo1A 176.2(11) . . ?
O1A C6A Mo1A 178.5(7) . . ?
Mo2A C11A H11A 120.5 . . ?
C12A C11A Mo2A 71.8(8) . . ?
C12A C11A H11A 127.1 . . ?
C12A C11A C10A 105.8(12) . . ?
C10A C11A Mo2A 72.6(7) . . ?
C10A C11A H11A 127.1 . . ?
Mo2A C10A H10A 120.2 . . ?
C9A C10A Mo2A 74.4(6) . . ?
C9A C10A H10A 125.9 . . ?
C11A C10A Mo2A 71.3(7) . . ?
C11A C10A C9A 108.2(12) . . ?
C11A C10A H10A 125.9 . . ?
N3 C22 C23 178.6(8) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C10B C11B H11B 125.2 . . ?
C10B C11B Mo2B 71.0(8) . . ?
C12B C11B H11B 125.2 . . ?
C12B C11B C10B 109.7(17) . . ?
C12B C11B Mo2B 75.7(12) . . ?
Mo2B C11B H11B 119.8 . . ?
C11B C10B H10B 125.8 . . ?
C11B C10B Mo2B 72.4(8) . . ?
C9B C10B C11B 108.4(16) . . ?
C9B C10B H10B 125.8 . . ?
C9B C10B Mo2B 74.1(9) . . ?
Mo2B C10B H10B 119.5 . . ?
C10B C9B H9B 126.1 . . ?
C10B C9B C8B 107.8(15) . . ?
C10B C9B Mo2B 70.3(9) . . ?
C8B C9B H9B 126.1 . . ?
C8B C9B Mo2B 73.4(10) . . ?
Mo2B C9B H9B 121.9 . . ?
C9B C8B H8B 125.5 . . ?
C9B C8B C12B 108.9(16) . . ?
C9B C8B Mo2B 71.0(9) . . ?
C12B C8B H8B 125.5 . . ?
C12B C8B Mo2B 73.0(11) . . ?
Mo2B C8B H8B 122.1 . . ?
C11B C12B C8B 105.2(19) . . ?
C11B C12B H12B 127.4 . . ?
C11B C12B Mo2B 68.9(10) . . ?
C8B C12B H12B 127.4 . . ?
C8B C12B Mo2B 71.0(12) . . ?
Mo2B C12B H12B 124.3 . . ?
O4B C14B Mo2B 175.0(16) . . ?
O3A C13A Mo2A 177.1(12) . . ?
O1B C6B Mo1B 176.6(13) . . ?
C4B C3B H3B 128.2 . . ?
C4B C3B C2B 104(2) . . ?
C4B C3B Mo1B 76.2(19) . . ?
C2B C3B H3B 128.2 . . ?
C2B C3B Mo1B 70.4(14) . . ?
Mo1B C3B H3B 117.6 . . ?
C3B C4B H4B 124.4 . . ?
C3B C4B Mo1B 69.3(16) . . ?
C5B C4B C3B 111.2(19) . . ?
C5B C4B H4B 124.4 . . ?
C5B C4B Mo1B 73.8(13) . . ?
Mo1B C4B H4B 124.1 . . ?
C4B C5B H5B 127.2 . . ?
C4B C5B C1B 105.7(18) . . ?
C4B C5B Mo1B 72.6(14) . . ?
C1B C5B H5B 127.2 . . ?
C1B C5B Mo1B 69.5(9) . . ?
Mo1B C5B H5B 122.6 . . ?
C5B C1B H1B 125.9 . . ?
C5B C1B Mo1B 76.0(9) . . ?
C2B C1B C5B 108.1(15) . . ?
C2B C1B H1B 125.9 . . ?
C2B C1B Mo1B 70.4(9) . . ?
Mo1B C1B H1B 119.5 . . ?
C3B C2B H2B 124.4 . . ?
C3B C2B Mo1B 73.7(14) . . ?
C1B C2B C3B 111.3(19) . . ?
C1B C2B H2B 124.4 . . ?
C1B C2B Mo1B 75.4(10) . . ?
Mo1B C2B H2B 118.1 . . ?
O2B C7B Mo1B 175.5(16) . . ?
C17 C18B H18B 121.7 . . ?
C19B C18B C17 116.5(17) . . ?
C19B C18B H18B 121.7 . . ?
N1 C19B C18B 125.9(18) . . ?
N1 C19B H19B 117.1 . . ?
C18B C19B H19B 117.1 . . ?
As2 Mo1B Mo2B 56.97(9) . . ?
As1 Mo1B As2 55.76(8) . . ?
As1 Mo1B Mo2B 54.09(10) . . ?
C6B Mo1B As2 91.2(5) . . ?
C6B Mo1B As1 77.9(4) . . ?
C6B Mo1B C3B 121.6(9) . . ?
C6B Mo1B C4B 138.9(7) . . ?
C6B Mo1B C5B 112.0(6) . . ?
C6B Mo1B C1B 82.8(6) . . ?
C6B Mo1B C2B 87.7(6) . . ?
C6B Mo1B Mo2B 131.3(5) . . ?
C3B Mo1B As2 136.0(7) . . ?
C3B Mo1B As1 150.8(7) . . ?
C3B Mo1B C4B 34.4(10) . . ?
C3B Mo1B C5B 58.3(7) . . ?
C3B Mo1B C1B 58.9(8) . . ?
C3B Mo1B Mo2B 106.0(8) . . ?
C4B Mo1B As2 101.5(8) . . ?
C4B Mo1B As1 140.8(6) . . ?
C4B Mo1B C5B 33.7(9) . . ?
C4B Mo1B Mo2B 87.0(6) . . ?
C5B Mo1B As2 83.7(5) . . ?
C5B Mo1B As1 139.0(5) . . ?
C5B Mo1B Mo2B 100.9(5) . . ?
C1B Mo1B As2 102.6(5) . . ?
C1B Mo1B As1 150.1(5) . . ?
C1B Mo1B C4B 56.4(7) . . ?
C1B Mo1B C5B 34.5(5) . . ?
C1B Mo1B Mo2B 135.4(5) . . ?
C2B Mo1B As2 136.5(5) . . ?
C2B Mo1B As1 161.9(5) . . ?
C2B Mo1B C3B 35.9(8) . . ?
C2B Mo1B C4B 56.4(7) . . ?
C2B Mo1B C5B 57.0(7) . . ?
C2B Mo1B C1B 34.2(7) . . ?
C2B Mo1B Mo2B 141.0(4) . . ?
C7B Mo1B As2 126.4(7) . . ?
C7B Mo1B As1 73.0(7) . . ?
C7B Mo1B C6B 92.8(8) . . ?
C7B Mo1B C3B 83.8(10) . . ?
C7B Mo1B C4B 109.4(12) . . ?
C7B Mo1B C5B 141.5(9) . . ?
C7B Mo1B C1B 130.9(8) . . ?
C7B Mo1B C2B 97.1(8) . . ?
C7B Mo1B Mo2B 81.7(5) . . ?
As2 Mo2B Mo1B 54.75(9) . . ?
As1 Mo2B As2 54.24(7) . . ?
As1 Mo2B Mo1B 52.22(8) . . ?
C13B Mo2B As2 80.7(3) . . ?
C13B Mo2B As1 87.1(4) . . ?
C13B Mo2B C11B 86.3(6) . . ?
C13B Mo2B C10B 84.7(6) . . ?
C13B Mo2B C9B 116.3(5) . . ?
C13B Mo2B C8B 142.6(5) . . ?
C13B Mo2B C12B 118.5(7) . . ?
C13B Mo2B C14B 92.8(6) . . ?
C13B Mo2B Mo1B 131.1(3) . . ?
C11B Mo2B As2 162.3(4) . . ?
C11B Mo2B As1 137.3(4) . . ?
C11B Mo2B C9B 59.8(5) . . ?
C11B Mo2B C8B 59.1(6) . . ?
C11B Mo2B C12B 35.4(8) . . ?
C11B Mo2B Mo1B 141.3(5) . . ?
C10B Mo2B As2 151.5(4) . . ?
C10B Mo2B As1 100.9(4) . . ?
C10B Mo2B C11B 36.6(5) . . ?
C10B Mo2B C9B 35.5(5) . . ?
C10B Mo2B C8B 59.3(6) . . ?
C10B Mo2B C12B 60.2(7) . . ?
C10B Mo2B Mo1B 124.3(5) . . ?
C9B Mo2B As2 137.3(4) . . ?
C9B Mo2B As1 86.2(4) . . ?
C9B Mo2B C8B 35.6(6) . . ?
C9B Mo2B C12B 60.1(8) . . ?
C9B Mo2B Mo1B 89.8(4) . . ?
C8B Mo2B As2 136.1(5) . . ?
C8B Mo2B As1 108.2(5) . . ?
C8B Mo2B C12B 36.0(9) . . ?
C8B Mo2B Mo1B 82.2(5) . . ?
C12B Mo2B As2 148.0(6) . . ?
C12B Mo2B As1 143.7(7) . . ?
C12B Mo2B Mo1B 110.3(7) . . ?
C14B Mo2B As2 66.0(5) . . ?
C14B Mo2B As1 119.4(4) . . ?
C14B Mo2B C11B 102.9(6) . . ?
C14B Mo2B C10B 139.5(6) . . ?
C14B Mo2B C9B 143.0(7) . . ?
C14B Mo2B C8B 107.6(7) . . ?
C14B Mo2B C12B 86.6(8) . . ?
C14B Mo2B Mo1B 87.0(4) . . ?
F4A P1A F6A 89.8(10) . . ?
F4A P1A F1A 96.3(12) . . ?
F4A P1A F3A 91.1(14) . . ?
F5A P1A F4A 90.9(11) . . ?
F5A P1A F6A 174.9(12) . . ?
F5A P1A F1A 87.2(10) . . ?
F5A P1A F3A 93.9(13) . . ?
F2A P1A F4A 177.4(12) . . ?
F2A P1A F5A 86.5(10) . . ?
F2A P1A F6A 92.8(9) . . ?
F2A P1A F1A 83.4(10) . . ?
F2A P1A F3A 89.3(12) . . ?
F6A P1A F1A 87.7(8) . . ?
F3A P1A F6A 91.1(11) . . ?
F3A P1A F1A 172.5(12) . . ?
F4B P1B F1B 100.2(19) . . ?
F4B P1B F6B 91.2(14) . . ?
F1B P1B F6B 90.3(14) . . ?
F2B P1B F4B 178.0(18) . . ?
F2B P1B F1B 78.2(18) . . ?
F2B P1B F6B 87.7(14) . . ?
F2B P1B F5B 88.9(14) . . ?
F3B P1B F4B 92.4(19) . . ?
F3B P1B F1B 167.4(19) . . ?
F3B P1B F2B 89.3(16) . . ?
F3B P1B F6B 89.3(13) . . ?
F3B P1B F5B 88.6(13) . . ?
F5B P1B F4B 92.3(14) . . ?
F5B P1B F1B 91.0(14) . . ?
F5B P1B F6B 176.1(16) . . ?
F1C P1C F3C 178.3(16) . . ?
F1C P1C F4C 89.9(14) . . ?
F1C P1C F5C 79.4(14) . . ?
F1C P1C F6C 88.0(15) . . ?
F2C P1C F1C 84.3(15) . . ?
F2C P1C F3C 97.3(15) . . ?
F2C P1C F4C 172.6(16) . . ?
F2C P1C F5C 93.6(13) . . ?
F2C P1C F6C 84.0(15) . . ?
F3C P1C F5C 100.7(13) . . ?
F3C P1C F6C 91.9(13) . . ?
F4C P1C F3C 88.4(13) . . ?
F4C P1C F5C 89.8(11) . . ?
F4C P1C F6C 91.2(14) . . ?
F6C P1C F5C 167.4(15) . . ?

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 C15 C16 -171.9(2) . . . . ?
Ag1 N1 C19A C18A 172.6(6) . . . . ?
Ag1 N1 C19B C18B 171.6(10) . . . . ?
Mo2A C12A C8A C9A -62.6(11) . . . . ?
Mo2A C12A C11A C10A 65.1(10) . . . . ?
Mo2A C8A C9A C10A -61.8(9) . . . . ?
Mo2A C9A C10A C11A -63.8(9) . . . . ?
Mo2A C11A C10A C9A 65.8(9) . . . . ?
Mo1A C4A C3A C2A 63.2(9) . . . . ?
Mo1A C4A C5A C1A -60.9(6) . . . . ?
Mo1A C3A C2A C1A 64.7(6) . . . . ?
Mo1A C5A C1A C2A -65.1(6) . . . . ?
Mo1A C1A C2A C3A -65.6(7) . . . . ?
N1 C15 C16 C17 0.3(5) . . . . ?
C17 C17 C16 C15 177.3(3) 2_665 . . . ?
C17 C17 C18A C19A -176.9(7) 2_665 . . . ?
C17 C17 C18B C19B -176.9(8) 2_665 . . . ?
C17 C18A C19A N1 -1.3(13) . . . . ?
C17 C18B C19B N1 -1.2(18) . . . . ?
C15 N1 C19A C18A -9.2(10) . . . . ?
C15 N1 C19B C18B 13.5(15) . . . . ?
C16 C17 C18A C19A 11.1(10) . . . . ?
C16 C17 C18B C19B -11.8(13) . . . . ?
C18A C17 C16 C15 -10.6(6) . . . . ?
C19A N1 C15 C16 9.8(6) . . . . ?
C4A C3A C2A Mo1A -65.6(10) . . . . ?
C4A C3A C2A C1A -0.9(13) . . . . ?
C4A C5A C1A Mo1A 63.2(7) . . . . ?
C4A C5A C1A C2A -1.8(10) . . . . ?
C12A C8A C9A Mo2A 60.7(12) . . . . ?
C12A C8A C9A C10A -1.1(17) . . . . ?
C12A C11A C10A Mo2A -64.6(10) . . . . ?
C12A C11A C10A C9A 1.2(15) . . . . ?
C3A C4A C5A Mo1A 62.1(9) . . . . ?
C3A C4A C5A C1A 1.2(12) . . . . ?
C8A C12A C11A Mo2A -67.1(12) . . . . ?
C8A C12A C11A C10A -2.0(18) . . . . ?
C8A C9A C10A Mo2A 63.7(10) . . . . ?
C8A C9A C10A C11A -0.1(15) . . . . ?
C5A C4A C3A Mo1A -63.4(8) . . . . ?
C5A C4A C3A C2A -0.2(14) . . . . ?
C5A C1A C2A Mo1A 67.3(5) . . . . ?
C5A C1A C2A C3A 1.7(10) . . . . ?
C11A C12A C8A Mo2A 64.5(10) . . . . ?
C11A C12A C8A C9A 1.9(19) . . . . ?
C11B C10B C9B C8B -0.5(18) . . . . ?
C11B C10B C9B Mo2B -64.8(10) . . . . ?
C10B C11B C12B C8B 1(2) . . . . ?
C10B C11B C12B Mo2B 63.4(11) . . . . ?
C10B C9B C8B C12B 1(2) . . . . ?
C10B C9B C8B Mo2B -62.3(11) . . . . ?
C9B C8B C12B C11B -2(2) . . . . ?
C9B C8B C12B Mo2B -62.3(13) . . . . ?
C12B C11B C10B C9B -0.5(18) . . . . ?
C12B C11B C10B Mo2B -66.4(13) . . . . ?
C3B C4B C5B C1B -2(3) . . . . ?
C3B C4B C5B Mo1B 60(2) . . . . ?
C4B C3B C2B C1B -3(3) . . . . ?
C4B C3B C2B Mo1B -70(2) . . . . ?
C4B C5B C1B C2B 0(2) . . . . ?
C4B C5B C1B Mo1B 64.0(17) . . . . ?
C5B C1B C2B C3B 2(2) . . . . ?
C5B C1B C2B Mo1B 67.3(12) . . . . ?
C2B C3B C4B C5B 3(3) . . . . ?
C2B C3B C4B Mo1B 65.5(16) . . . . ?
C18B C17 C16 C15 12.3(7) . . . . ?
C19B N1 C15 C16 -13.0(7) . . . . ?
Mo1B C3B C4B C5B -62(2) . . . . ?
Mo1B C3B C2B C1B 66.7(13) . . . . ?
Mo1B C4B C5B C1B -61.9(12) . . . . ?
Mo1B C5B C1B C2B -63.5(11) . . . . ?
Mo1B C1B C2B C3B -65.7(15) . . . . ?
Mo2B C11B C10B C9B 65.9(10) . . . . ?
Mo2B C11B C12B C8B -62.2(13) . . . . ?
Mo2B C10B C9B C8B 64.3(12) . . . . ?
Mo2B C9B C8B C12B 63.6(14) . . . . ?
Mo2B C8B C12B C11B 60.8(12) . . . . ?

_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 0.000 0.000 0.000 262.4 65.6 '3 C2H3N'

_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 1.928
_oxdiff_exptl_absorpt_empirical_full_min 0.594
_vrf_RADNT01_js233_ap_abs_gaus   
;
PROBLEM: The radiation type should contain one of the following
RESPONSE: The radiation type used is Cu K\b.
;
####################################################################### 
# 
# 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_ems_407_ap_abs
_database_code_depnum_ccdc_archive 'CCDC 2048100'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_audit_creation_date             2020-11-27
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6197)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C34 H24 Ag As4 Mo4 N O8, F6 P, C2 H3 N, 1.5[CH2Cl2]'
_chemical_formula_sum            'C37.50 H30 Ag As4 Cl3 F6 Mo4 N2 O8 P'
_chemical_formula_weight         1679.26
_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'
As As -0.9300 1.0051 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
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'
P P 0.2955 0.4335 '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                   12.8682(7)
_cell_length_b                   13.0664(6)
_cell_length_c                   15.9420(8)
_cell_angle_alpha                98.621(4)
_cell_angle_beta                 103.144(4)
_cell_angle_gamma                90.062(4)
_cell_volume                     2579.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12390
_cell_measurement_temperature    123.0(2)
_cell_measurement_theta_max      74.2030
_cell_measurement_theta_min      2.8390
_shelx_estimated_absorpt_T_max   0.193
_shelx_estimated_absorpt_T_min   0.072
_exptl_absorpt_coefficient_mu    15.937
_exptl_absorpt_correction_T_max  0.274
_exptl_absorpt_correction_T_min  0.046
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41h (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 2 -1 0.0991
-3 2 5 0.1519
-5 -1 3 0.1598
-5 -3 0 0.1422
2 5 0 0.1473
3 0 5 0.1352
-2 -5 0 0.1616
-3 0 -5 0.1213
5 0 -4 0.0601
4 -2 -5 0.0795
-2 2 -5 0.0997
5 0 -3 0.0570
-3 3 5 0.1397
5 4 -1 0.1147
1 0 -5 0.0924
-2 -1 5 0.1957
0 0 1 0.1374
0 0 -1 0.0909
-5 4 -4 0.1115
0 -1 0 0.1449
3 -5 3 0.1164
5 -3 4 0.1042
0 1 0 0.1486
-4 5 2 0.1109
-5 2 0 0.0928
5 -3 -1 0.0445
5 1 1 0.0955
-5 0 1 0.1052

_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.154
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16266
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.868
_diffrn_reflns_theta_min         2.881
_diffrn_ambient_temperature      123.0(2)
_diffrn_detector_area_resol_mean 4.1818
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  68.00   1.00    1.00    --   44.45 -57.00-150.00   93
  2  ω     35.00 126.00   1.00    2.00    --  104.50 -77.00 -60.00   91
  3  ω     81.00 177.00   1.00    2.00    --  104.50  30.00 -90.00   96
  4  ω    143.00 169.00   1.00    2.00    --  104.50  77.00  60.00   26
  5  ω     83.00 116.00   1.00    2.00    --  104.50  77.00  60.00   33
  6  ω     81.00 177.00   1.00    2.00    --  104.50  30.00   0.00   96
  7  ω     43.00 121.00   1.00    2.00    --  104.50-125.00 150.00   78
  8  ω     39.00 135.00   1.00    2.00    --  104.50 -77.00 150.00   96
  9  ω     32.00  91.00   1.00    2.00    --  104.50 -30.00  90.00   59
 10  ω     32.00  90.00   1.00    2.00    --  104.50 -30.00 -30.00   58
 11  ω     36.00 127.00   1.00    1.00    --   44.45 178.00-150.00   91
 12  ω   -114.00 -19.00   1.00    1.00    --  -44.45 -75.00  -8.00   95
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9308
_reflns_number_total             9905
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.907
_refine_diff_density_min         -1.040
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         9905
_refine_ls_number_restraints     150
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0356
_refine_ls_restrained_S_all      1.057
_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)+(0.0605P)²+2.2554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1000
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
F3B \\sim P1 \\sim F4A \\sim F6A \\sim F5A \\sim F2A \\sim F1A \\sim F3A \\sim
F1B \\sim F4B \\sim F6B \\sim F2B \\sim F5B: within 1.9A with sigma of 0.01 and
sigma for terminal atoms of 0.01 within 1.9A
3. Others
 Sof(F1B)=Sof(F4B)=Sof(F6B)=Sof(F2B)=Sof(F3B)=Sof(F5B)=1-FVAR(1)
 Sof(F4A)=Sof(F6A)=Sof(F5A)=Sof(F2A)=Sof(F1A)=Sof(F3A)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C16(H16), C9(H9), C10(H10), C17(H17), C29(H29), C15(H15), C30(H30), C21(H21),
 C11(H11), C13(H13), C32(H32), C25(H25), C18(H18), C12(H12), C26(H26), C33(H33),
  C22(H22), C28(H28), C20(H20), C24(H24), C23(H23), C27(H27), C14(H14), C19(H19)
4.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.47659(2) 0.76731(3) 0.40345(2) 0.03249(8) Uani 1 1 d . . . . .
Mo1 Mo 0.43175(3) 0.66542(3) 0.64728(2) 0.02815(9) Uani 1 1 d . . . . .
Mo2 Mo 0.21619(3) 0.68763(3) 0.52380(2) 0.03009(9) Uani 1 1 d . . . . .
Mo3 Mo 0.46374(3) 0.82122(3) 0.13048(2) 0.03299(9) Uani 1 1 d . . . . .
Mo4 Mo 0.26653(3) 0.69629(3) 0.13727(2) 0.03303(9) Uani 1 1 d . . . . .
As2 As 0.39192(4) 0.80385(3) 0.54643(3) 0.02907(11) Uani 1 1 d . . . . .
As1 As 0.38503(4) 0.62927(4) 0.47494(3) 0.02925(11) Uani 1 1 d . . . . .
As3 As 0.46229(4) 0.68821(4) 0.23291(3) 0.03190(11) Uani 1 1 d . . . . .
As4 As 0.36223(4) 0.83750(4) 0.25887(3) 0.03140(11) Uani 1 1 d . . . . .
P1 P -0.15486(11) 0.58045(11) 0.19908(9) 0.0443(3) Uani 1 1 d . U . . .
O00B O 0.3851(3) 0.4267(2) 0.5926(2) 0.0406(7) Uani 1 1 d . . . . .
O00C O 0.1487(3) 0.7990(3) 0.3608(2) 0.0457(8) Uani 1 1 d . . . . .
O00D O 0.1816(3) 0.8878(3) 0.6477(2) 0.0494(8) Uani 1 1 d . . . . .
O00E O 0.6601(3) 0.6491(4) 0.6114(3) 0.0536(9) Uani 1 1 d . . . . .
O00G O 0.3679(4) 0.4995(3) 0.0568(3) 0.0668(12) Uani 1 1 d . . . . .
O00H O 0.6293(4) 0.9559(3) 0.2796(3) 0.0616(12) Uani 1 1 d . . . . .
N1 N 0.6530(3) 0.8293(3) 0.4451(3) 0.0355(8) Uani 1 1 d . . . . .
O00J O 0.3250(4) 1.0166(3) 0.1113(3) 0.0594(10) Uani 1 1 d . . . . .
O00K O 0.2232(3) 0.5647(4) 0.2752(3) 0.0574(10) Uani 1 1 d . . . . .
F4A F -0.1468(7) 0.7029(7) 0.1873(6) 0.0591(18) Uani 0.536(5) 1 d . U P A 1
C4 C 0.1774(4) 0.7616(4) 0.4216(3) 0.0349(9) Uani 1 1 d . . . . .
F6A F -0.1651(8) 0.4648(9) 0.2121(6) 0.061(2) Uani 0.536(5) 1 d . U P A 1
C7 C 0.2414(4) 0.6136(4) 0.2268(3) 0.0450(11) Uani 1 1 d . . . . .
C16 C 0.1620(4) 0.5114(4) 0.4845(3) 0.0417(11) Uani 1 1 d . . . . .
H16 H 0.204819 0.460786 0.460955 0.050 Uiso 1 1 calc R U . . .
C5 C 0.3728(4) 0.9445(4) 0.1212(3) 0.0431(11) Uani 1 1 d . . . . .
C2 C 0.4034(4) 0.5138(4) 0.6087(3) 0.0340(9) Uani 1 1 d . . . . .
C3 C 0.1996(4) 0.8162(4) 0.6028(3) 0.0363(9) Uani 1 1 d . . . . .
C9 C 0.5184(4) 0.7592(4) 0.7787(3) 0.0402(10) Uani 1 1 d . . . . .
H9 H 0.581455 0.799422 0.782787 0.048 Uiso 1 1 calc R U . . .
C31 C 0.8549(4) 0.9259(4) 0.4781(4) 0.0454(12) Uani 1 1 d . . . . .
C10 C 0.5143(4) 0.6537(4) 0.7887(3) 0.0448(12) Uani 1 1 d . . . . .
H10 H 0.573689 0.610654 0.800627 0.054 Uiso 1 1 calc R U . . .
C17 C 0.0869(4) 0.5733(4) 0.4368(4) 0.0457(12) Uani 1 1 d . . . . .
H17 H 0.071343 0.571411 0.375355 0.055 Uiso 1 1 calc R U . . .
C29 C 0.7251(4) 0.7933(4) 0.4008(3) 0.0380(10) Uani 1 1 d . . . . .
H29 H 0.706407 0.733463 0.357763 0.046 Uiso 1 1 calc R U . . .
C15 C 0.1614(4) 0.5392(4) 0.5737(3) 0.0421(11) Uani 1 1 d . . . . .
H15 H 0.203960 0.510239 0.620687 0.050 Uiso 1 1 calc R U . . .
C6 C 0.5674(4) 0.9064(4) 0.2268(3) 0.0435(11) Uani 1 1 d . . . . .
C1 C 0.5757(4) 0.6545(4) 0.6208(3) 0.0364(9) Uani 1 1 d . . . . .
C30 C 0.8264(4) 0.8391(4) 0.4146(4) 0.0454(11) Uani 1 1 d . . . . .
H30 H 0.875271 0.811642 0.381233 0.054 Uiso 1 1 calc R U . . .
C8 C 0.3348(5) 0.5725(4) 0.0871(3) 0.0446(11) Uani 1 1 d . . . . .
C21 C 0.4490(5) 0.7176(5) -0.0072(3) 0.0559(14) Uani 1 1 d . . . . .
H21 H 0.390049 0.671095 -0.034370 0.067 Uiso 1 1 calc R U . . .
C11 C 0.4060(5) 0.6239(4) 0.7778(3) 0.0447(11) Uani 1 1 d . . . . .
H11 H 0.379335 0.557019 0.780661 0.054 Uiso 1 1 calc R U . . .
C13 C 0.4143(5) 0.7947(4) 0.7616(3) 0.0421(11) Uani 1 1 d . . . . .
H13 H 0.394633 0.862678 0.751735 0.051 Uiso 1 1 calc R U . . .
C32 C 0.7808(5) 0.9619(4) 0.5252(4) 0.0529(13) Uani 1 1 d . . . . .
H32 H 0.798187 1.020474 0.569589 0.063 Uiso 1 1 calc R U . . .
C25 C 0.0888(4) 0.7334(5) 0.1236(4) 0.0520(13) Uani 1 1 d . . . . .
H25 H 0.056607 0.733686 0.171688 0.062 Uiso 1 1 calc R U . . .
C18 C 0.0398(4) 0.6372(5) 0.4948(4) 0.0489(13) Uani 1 1 d . . . . .
H18 H -0.013919 0.685427 0.479929 0.059 Uiso 1 1 calc R U . . .
C12 C 0.3435(4) 0.7120(5) 0.7616(3) 0.0447(11) Uani 1 1 d . . . . .
H12 H 0.268047 0.714651 0.752565 0.054 Uiso 1 1 calc R U . . .
C26 C 0.0957(5) 0.6468(5) 0.0614(4) 0.0563(15) Uani 1 1 d . . . . .
H26 H 0.069311 0.578469 0.059806 0.068 Uiso 1 1 calc R U . . .
C33 C 0.6813(4) 0.9122(4) 0.5074(4) 0.0446(11) Uani 1 1 d . . . . .
H33 H 0.631344 0.937714 0.540366 0.054 Uiso 1 1 calc R U . . .
C22 C 0.5442(5) 0.6939(5) 0.0493(3) 0.0539(15) Uani 1 1 d . . . . .
H22 H 0.560333 0.628622 0.067484 0.065 Uiso 1 1 calc R U . . .
C28 C 0.1739(4) 0.7878(5) 0.0266(3) 0.0495(13) Uani 1 1 d . . . . .
H28 H 0.208696 0.830822 -0.002474 0.059 Uiso 1 1 calc R U . . .
C20 C 0.4575(5) 0.8225(5) -0.0160(3) 0.0546(14) Uani 1 1 d . . . . .
H20 H 0.404391 0.859642 -0.049672 0.066 Uiso 1 1 calc R U . . .
C24 C 0.1378(4) 0.8195(5) 0.1027(4) 0.0475(12) Uani 1 1 d . . . . .
H24 H 0.145116 0.887548 0.134727 0.057 Uiso 1 1 calc R U . . .
C34 C 0.9566(4) 0.9779(4) 0.4929(4) 0.0537(15) Uani 1 1 d . . . . .
N2 N -0.2338(7) 1.0545(7) 0.1252(4) 0.091(2) Uani 1 1 d . . . . .
C23 C 0.6109(5) 0.7832(6) 0.0739(4) 0.0600(16) Uani 1 1 d . . . . .
H23 H 0.680207 0.788645 0.111406 0.072 Uiso 1 1 calc R U . . .
C27 C 0.1496(5) 0.6807(5) 0.0008(3) 0.0548(14) Uani 1 1 d . . . . .
H27 H 0.166145 0.638663 -0.048128 0.066 Uiso 1 1 calc R U . . .
C14 C 0.0871(4) 0.6169(5) 0.5810(4) 0.0458(12) Uani 1 1 d . . . . .
H14 H 0.071132 0.650074 0.633527 0.055 Uiso 1 1 calc R U . . .
F5A F -0.1314(7) 0.6206(6) 0.3026(5) 0.0708(17) Uani 0.536(5) 1 d . U P A 1
C19 C 0.5579(5) 0.8636(6) 0.0337(4) 0.0584(16) Uani 1 1 d . . . . .
H19 H 0.584832 0.932566 0.039081 0.070 Uiso 1 1 calc R U . . .
F2A F -0.2758(6) 0.5970(7) 0.1977(7) 0.082(2) Uani 0.536(5) 1 d . U P A 1
F1A F -0.0298(6) 0.5774(7) 0.2134(6) 0.0732(17) Uani 0.536(5) 1 d . U P A 1
C35 C -0.1760(6) 1.0052(6) 0.1592(5) 0.0675(17) Uani 1 1 d . . . . .
F3A F -0.1676(9) 0.5509(7) 0.1013(5) 0.090(2) Uani 0.536(5) 1 d . U P A 1
C36 C -0.1000(8) 0.9428(7) 0.2107(6) 0.092(3) Uani 1 1 d . . . . .
H36A H -0.095865 0.875022 0.176016 0.137 Uiso 1 1 calc R U . . .
H36B H -0.123801 0.933540 0.263342 0.137 Uiso 1 1 calc R U . . .
H36C H -0.029449 0.978084 0.227232 0.137 Uiso 1 1 calc R U . . .
F1B F -0.2537(8) 0.5237(8) 0.1272(6) 0.081(2) Uani 0.464(5) 1 d . U P A 2
F4B F -0.0777(8) 0.5465(8) 0.1364(7) 0.079(2) Uani 0.464(5) 1 d . U P A 2
F6B F -0.2340(9) 0.6020(8) 0.2614(7) 0.079(2) Uani 0.464(5) 1 d . U P A 2
F2B F -0.0604(9) 0.6396(9) 0.2677(7) 0.087(2) Uani 0.464(5) 1 d . U P A 2
F3B F -0.1791(11) 0.6801(10) 0.1590(8) 0.076(3) Uani 0.464(5) 1 d . U P A 2
F5B F -0.1294(10) 0.4735(10) 0.2373(8) 0.066(2) Uani 0.464(5) 1 d . U P A 2


_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 As2 2.7231(6) . ?
Ag1 As1 2.6764(5) . ?
Ag1 As3 2.7246(6) . ?
Ag1 As4 2.7227(6) . ?
Ag1 N1 2.323(4) . ?
Mo1 Mo2 3.0566(5) . ?
Mo1 As2 2.5726(5) . ?
Mo1 As1 2.6443(6) . ?
Mo1 C2 1.992(5) . ?
Mo1 C9 2.302(4) . ?
Mo1 C10 2.291(4) . ?
Mo1 C1 1.991(5) . ?
Mo1 C11 2.320(5) . ?
Mo1 C13 2.343(5) . ?
Mo1 C12 2.365(5) . ?
Mo2 As2 2.6471(6) . ?
Mo2 As1 2.5502(6) . ?
Mo2 C4 1.986(5) . ?
Mo2 C16 2.354(5) . ?
Mo2 C3 1.986(5) . ?
Mo2 C17 2.291(5) . ?
Mo2 C15 2.368(4) . ?
Mo2 C18 2.287(5) . ?
Mo2 C14 2.319(5) . ?
Mo3 Mo4 3.0473(5) . ?
Mo3 As3 2.5598(6) . ?
Mo3 As4 2.6509(6) . ?
Mo3 C5 1.996(5) . ?
Mo3 C6 1.982(6) . ?
Mo3 C21 2.368(6) . ?
Mo3 C22 2.342(5) . ?
Mo3 C20 2.320(5) . ?
Mo3 C23 2.300(5) . ?
Mo3 C19 2.293(5) . ?
Mo4 As3 2.6427(6) . ?
Mo4 As4 2.5527(6) . ?
Mo4 C7 1.996(5) . ?
Mo4 C8 1.990(6) . ?
Mo4 C25 2.306(5) . ?
Mo4 C26 2.295(5) . ?
Mo4 C28 2.375(5) . ?
Mo4 C24 2.344(5) . ?
Mo4 C27 2.327(5) . ?
As2 As1 2.3842(6) . ?
As3 As4 2.3749(7) . ?
P1 F4A 1.644(9) . ?
P1 F6A 1.565(12) . ?
P1 F5A 1.614(7) . ?
P1 F2A 1.567(8) . ?
P1 F1A 1.575(7) . ?
P1 F3A 1.519(9) . ?
P1 F1B 1.600(8) . ?
P1 F4B 1.581(9) . ?
P1 F6B 1.575(9) . ?
P1 F2B 1.553(9) . ?
P1 F3B 1.537(12) . ?
P1 F5B 1.611(12) . ?
O00B C2 1.141(6) . ?
O00C C4 1.138(6) . ?
O00D C3 1.147(6) . ?
O00E C1 1.131(6) . ?
O00G C8 1.131(7) . ?
O00H C6 1.137(7) . ?
N1 C29 1.335(7) . ?
N1 C33 1.344(6) . ?
O00J C5 1.137(7) . ?
O00K C7 1.134(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.421(7) . ?
C16 C15 1.416(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.414(7) . ?
C9 C13 1.399(8) . ?
C31 C30 1.389(8) . ?
C31 C32 1.383(9) . ?
C31 C34 1.428(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.412(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.395(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.391(7) . ?
C15 H15 0.9500 . ?
C15 C14 1.405(8) . ?
C30 H30 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.411(8) . ?
C21 C20 1.406(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.426(8) . ?
C13 H13 0.9500 . ?
C13 C12 1.412(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.386(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.405(9) . ?
C25 C24 1.407(8) . ?
C18 H18 0.9500 . ?
C18 C14 1.434(8) . ?
C12 H12 0.9500 . ?
C26 H26 0.9500 . ?
C26 C27 1.429(9) . ?
C33 H33 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.399(10) . ?
C28 H28 0.9500 . ?
C28 C24 1.402(8) . ?
C28 C27 1.412(9) . ?
C20 H20 0.9500 . ?
C20 C19 1.412(9) . ?
C24 H24 0.9500 . ?
C34 C34 1.217(11) 2_776 ?
N2 C35 1.088(10) . ?
C23 H23 0.9500 . ?
C23 C19 1.408(9) . ?
C27 H27 0.9500 . ?
C14 H14 0.9500 . ?
C19 H19 0.9500 . ?
C35 C36 1.459(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?

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
As2 Ag1 As3 151.523(18) . . ?
As1 Ag1 As2 52.399(15) . . ?
As1 Ag1 As3 108.039(18) . . ?
As1 Ag1 As4 119.287(18) . . ?
As4 Ag1 As2 115.291(18) . . ?
As4 Ag1 As3 51.695(15) . . ?
N1 Ag1 As2 107.58(10) . . ?
N1 Ag1 As1 127.02(9) . . ?
N1 Ag1 As3 100.85(10) . . ?
N1 Ag1 As4 113.54(9) . . ?
As2 Mo1 Mo2 55.294(14) . . ?
As2 Mo1 As1 54.369(16) . . ?
As1 Mo1 Mo2 52.540(14) . . ?
C2 Mo1 Mo2 84.97(13) . . ?
C2 Mo1 As2 124.79(12) . . ?
C2 Mo1 As1 71.50(12) . . ?
C2 Mo1 C9 131.81(18) . . ?
C2 Mo1 C10 96.01(19) . . ?
C2 Mo1 C11 82.43(19) . . ?
C2 Mo1 C13 139.87(18) . . ?
C2 Mo1 C12 106.33(19) . . ?
C9 Mo1 Mo2 132.65(14) . . ?
C9 Mo1 As2 103.11(13) . . ?
C9 Mo1 As1 151.84(13) . . ?
C9 Mo1 C11 59.11(18) . . ?
C9 Mo1 C13 35.04(19) . . ?
C9 Mo1 C12 58.42(19) . . ?
C10 Mo1 Mo2 144.15(15) . . ?
C10 Mo1 As2 138.95(14) . . ?
C10 Mo1 As1 159.95(14) . . ?
C10 Mo1 C9 35.87(19) . . ?
C10 Mo1 C11 35.7(2) . . ?
C10 Mo1 C13 59.12(18) . . ?
C10 Mo1 C12 59.06(19) . . ?
C1 Mo1 Mo2 128.74(13) . . ?
C1 Mo1 As2 88.02(13) . . ?
C1 Mo1 As1 77.67(13) . . ?
C1 Mo1 C2 90.67(19) . . ?
C1 Mo1 C9 85.59(19) . . ?
C1 Mo1 C10 87.11(19) . . ?
C1 Mo1 C11 120.03(19) . . ?
C1 Mo1 C13 116.4(2) . . ?
C1 Mo1 C12 142.96(18) . . ?
C11 Mo1 Mo2 109.95(14) . . ?
C11 Mo1 As2 142.38(15) . . ?
C11 Mo1 As1 149.01(13) . . ?
C11 Mo1 C13 58.80(18) . . ?
C11 Mo1 C12 35.4(2) . . ?
C13 Mo1 Mo2 98.05(13) . . ?
C13 Mo1 As2 87.30(12) . . ?
C13 Mo1 As1 139.86(12) . . ?
C13 Mo1 C12 34.91(19) . . ?
C12 Mo1 Mo2 86.18(13) . . ?
C12 Mo1 As2 107.16(14) . . ?
C12 Mo1 As1 138.64(13) . . ?
As2 Mo2 Mo1 53.032(13) . . ?
As1 Mo2 Mo1 55.393(13) . . ?
As1 Mo2 As2 54.574(16) . . ?
C4 Mo2 Mo1 130.98(13) . . ?
C4 Mo2 As2 79.61(13) . . ?
C4 Mo2 As1 88.98(14) . . ?
C4 Mo2 C16 110.78(18) . . ?
C4 Mo2 C3 90.43(19) . . ?
C4 Mo2 C17 81.02(18) . . ?
C4 Mo2 C15 139.60(18) . . ?
C4 Mo2 C18 86.68(19) . . ?
C4 Mo2 C14 121.68(18) . . ?
C16 Mo2 Mo1 99.05(12) . . ?
C16 Mo2 As2 138.18(13) . . ?
C16 Mo2 As1 84.46(13) . . ?
C16 Mo2 C15 34.89(19) . . ?
C3 Mo2 Mo1 87.61(13) . . ?
C3 Mo2 As2 73.30(13) . . ?
C3 Mo2 As1 127.05(13) . . ?
C3 Mo2 C16 143.23(18) . . ?
C3 Mo2 C17 128.9(2) . . ?
C3 Mo2 C15 111.17(19) . . ?
C3 Mo2 C18 94.2(2) . . ?
C3 Mo2 C14 84.8(2) . . ?
C17 Mo2 Mo1 134.50(14) . . ?
C17 Mo2 As2 150.50(14) . . ?
C17 Mo2 As1 103.20(16) . . ?
C17 Mo2 C16 35.59(18) . . ?
C17 Mo2 C15 58.74(17) . . ?
C17 Mo2 C14 59.4(2) . . ?
C15 Mo2 Mo1 85.24(12) . . ?
C15 Mo2 As2 138.22(12) . . ?
C15 Mo2 As1 102.65(13) . . ?
C18 Mo2 Mo1 142.33(13) . . ?
C18 Mo2 As2 161.21(15) . . ?
C18 Mo2 As1 138.57(16) . . ?
C18 Mo2 C16 59.1(2) . . ?
C18 Mo2 C17 35.5(2) . . ?
C18 Mo2 C15 59.04(18) . . ?
C18 Mo2 C14 36.28(19) . . ?
C14 Mo2 Mo1 106.90(13) . . ?
C14 Mo2 As2 149.96(15) . . ?
C14 Mo2 As1 137.49(15) . . ?
C14 Mo2 C16 58.6(2) . . ?
C14 Mo2 C15 34.87(19) . . ?
As3 Mo3 Mo4 55.420(14) . . ?
As3 Mo3 As4 54.196(16) . . ?
As4 Mo3 Mo4 52.671(14) . . ?
C5 Mo3 Mo4 88.07(15) . . ?
C5 Mo3 As3 126.26(14) . . ?
C5 Mo3 As4 72.61(14) . . ?
C5 Mo3 C21 111.4(2) . . ?
C5 Mo3 C22 143.11(19) . . ?
C5 Mo3 C20 84.9(2) . . ?
C5 Mo3 C23 128.5(2) . . ?
C5 Mo3 C19 93.6(2) . . ?
C6 Mo3 Mo4 129.23(14) . . ?
C6 Mo3 As3 87.86(13) . . ?
C6 Mo3 As4 78.11(15) . . ?
C6 Mo3 C5 88.4(2) . . ?
C6 Mo3 C21 142.4(2) . . ?
C6 Mo3 C22 113.2(2) . . ?
C6 Mo3 C20 123.7(2) . . ?
C6 Mo3 C23 84.1(3) . . ?
C6 Mo3 C19 89.5(2) . . ?
C21 Mo3 Mo4 84.65(17) . . ?
C21 Mo3 As3 103.42(15) . . ?
C21 Mo3 As4 137.30(17) . . ?
C22 Mo3 Mo4 99.02(17) . . ?
C22 Mo3 As3 85.80(14) . . ?
C22 Mo3 As4 138.85(15) . . ?
C22 Mo3 C21 34.9(2) . . ?
C20 Mo3 Mo4 106.37(17) . . ?
C20 Mo3 As3 138.28(17) . . ?
C20 Mo3 As4 148.71(16) . . ?
C20 Mo3 C21 34.9(2) . . ?
C20 Mo3 C22 58.3(2) . . ?
C23 Mo3 Mo4 134.0(2) . . ?
C23 Mo3 As3 104.37(15) . . ?
C23 Mo3 As4 152.22(15) . . ?
C23 Mo3 C21 58.4(2) . . ?
C23 Mo3 C22 35.1(3) . . ?
C23 Mo3 C20 58.8(2) . . ?
C19 Mo3 Mo4 141.24(18) . . ?
C19 Mo3 As3 139.97(17) . . ?
C19 Mo3 As4 161.50(19) . . ?
C19 Mo3 C21 58.8(2) . . ?
C19 Mo3 C22 58.9(2) . . ?
C19 Mo3 C20 35.6(2) . . ?
C19 Mo3 C23 35.7(2) . . ?
As3 Mo4 Mo3 52.892(14) . . ?
As4 Mo4 Mo3 55.664(15) . . ?
As4 Mo4 As3 54.369(17) . . ?
C7 Mo4 Mo3 130.34(14) . . ?
C7 Mo4 As3 78.61(15) . . ?
C7 Mo4 As4 89.57(14) . . ?
C7 Mo4 C25 83.9(2) . . ?
C7 Mo4 C26 86.9(2) . . ?
C7 Mo4 C28 141.5(2) . . ?
C7 Mo4 C24 114.3(2) . . ?
C7 Mo4 C27 120.8(2) . . ?
C8 Mo4 Mo3 86.85(16) . . ?
C8 Mo4 As3 71.38(15) . . ?
C8 Mo4 As4 125.13(15) . . ?
C8 Mo4 C7 87.2(2) . . ?
C8 Mo4 C25 130.7(2) . . ?
C8 Mo4 C26 95.7(2) . . ?
C8 Mo4 C28 111.3(2) . . ?
C8 Mo4 C24 143.6(2) . . ?
C8 Mo4 C27 85.6(2) . . ?
C25 Mo4 Mo3 133.70(16) . . ?
C25 Mo4 As3 151.21(15) . . ?
C25 Mo4 As4 103.27(16) . . ?
C25 Mo4 C28 58.3(2) . . ?
C25 Mo4 C24 35.2(2) . . ?
C25 Mo4 C27 59.0(2) . . ?
C26 Mo4 Mo3 142.75(15) . . ?
C26 Mo4 As3 160.85(16) . . ?
C26 Mo4 As4 138.82(18) . . ?
C26 Mo4 C25 35.6(2) . . ?
C26 Mo4 C28 58.9(2) . . ?
C26 Mo4 C24 58.9(2) . . ?
C26 Mo4 C27 36.0(2) . . ?
C28 Mo4 Mo3 85.58(14) . . ?
C28 Mo4 As3 138.46(14) . . ?
C28 Mo4 As4 104.52(15) . . ?
C24 Mo4 Mo3 98.70(14) . . ?
C24 Mo4 As3 138.99(14) . . ?
C24 Mo4 As4 85.86(14) . . ?
C24 Mo4 C28 34.6(2) . . ?
C27 Mo4 Mo3 107.76(16) . . ?
C27 Mo4 As3 149.61(17) . . ?
C27 Mo4 As4 139.38(17) . . ?
C27 Mo4 C28 34.9(2) . . ?
C27 Mo4 C24 58.3(2) . . ?
Mo1 As2 Ag1 114.24(2) . . ?
Mo1 As2 Mo2 71.674(15) . . ?
Mo2 As2 Ag1 110.661(19) . . ?
As1 As2 Ag1 62.794(17) . . ?
As1 As2 Mo1 64.348(17) . . ?
As1 As2 Mo2 60.644(17) . . ?
Mo1 As1 Ag1 113.439(19) . . ?
Mo2 As1 Ag1 115.34(2) . . ?
Mo2 As1 Mo1 72.067(16) . . ?
As2 As1 Ag1 64.807(17) . . ?
As2 As1 Mo1 61.283(17) . . ?
As2 As1 Mo2 64.782(18) . . ?
Mo3 As3 Ag1 115.83(2) . . ?
Mo3 As3 Mo4 71.689(16) . . ?
Mo4 As3 Ag1 111.87(2) . . ?
As4 As3 Ag1 64.113(18) . . ?
As4 As3 Mo3 64.858(18) . . ?
As4 As3 Mo4 60.882(18) . . ?
Mo3 As4 Ag1 112.88(2) . . ?
Mo4 As4 Ag1 114.86(2) . . ?
Mo4 As4 Mo3 71.665(17) . . ?
As3 As4 Ag1 64.193(18) . . ?
As3 As4 Mo3 60.946(17) . . ?
As3 As4 Mo4 64.749(19) . . ?
F6A P1 F4A 178.2(6) . . ?
F6A P1 F5A 92.2(5) . . ?
F6A P1 F2A 91.6(5) . . ?
F6A P1 F1A 92.7(5) . . ?
F5A P1 F4A 86.7(4) . . ?
F2A P1 F4A 87.0(5) . . ?
F2A P1 F5A 86.8(5) . . ?
F2A P1 F1A 171.0(5) . . ?
F1A P1 F4A 88.6(4) . . ?
F1A P1 F5A 85.2(5) . . ?
F3A P1 F4A 88.8(5) . . ?
F3A P1 F6A 92.4(5) . . ?
F3A P1 F5A 173.8(5) . . ?
F3A P1 F2A 97.2(6) . . ?
F3A P1 F1A 90.5(5) . . ?
F1B P1 F5B 89.8(6) . . ?
F4B P1 F1B 90.1(6) . . ?
F4B P1 F5B 87.6(6) . . ?
F6B P1 F1B 87.1(6) . . ?
F6B P1 F4B 174.1(5) . . ?
F6B P1 F5B 87.1(6) . . ?
F2B P1 F1B 177.7(6) . . ?
F2B P1 F4B 90.3(6) . . ?
F2B P1 F6B 92.7(6) . . ?
F2B P1 F5B 92.4(6) . . ?
F3B P1 F1B 88.8(6) . . ?
F3B P1 F4B 90.6(7) . . ?
F3B P1 F6B 94.6(7) . . ?
F3B P1 F2B 89.0(6) . . ?
F3B P1 F5B 177.7(7) . . ?
C29 N1 Ag1 121.4(3) . . ?
C29 N1 C33 117.9(4) . . ?
C33 N1 Ag1 120.1(3) . . ?
O00C C4 Mo2 174.8(4) . . ?
O00K C7 Mo4 177.1(4) . . ?
Mo2 C16 H16 122.5 . . ?
C17 C16 Mo2 69.8(3) . . ?
C17 C16 H16 126.3 . . ?
C15 C16 Mo2 73.1(3) . . ?
C15 C16 H16 126.3 . . ?
C15 C16 C17 107.4(5) . . ?
O00J C5 Mo3 174.8(5) . . ?
O00B C2 Mo1 174.7(4) . . ?
O00D C3 Mo2 174.5(4) . . ?
Mo1 C9 H9 120.3 . . ?
C10 C9 Mo1 71.7(3) . . ?
C10 C9 H9 125.6 . . ?
C13 C9 Mo1 74.1(3) . . ?
C13 C9 H9 125.6 . . ?
C13 C9 C10 108.7(5) . . ?
C30 C31 C34 121.0(6) . . ?
C32 C31 C30 118.0(5) . . ?
C32 C31 C34 120.9(6) . . ?
Mo1 C10 H10 119.9 . . ?
C9 C10 Mo1 72.5(2) . . ?
C9 C10 H10 126.2 . . ?
C11 C10 Mo1 73.3(3) . . ?
C11 C10 C9 107.5(5) . . ?
C11 C10 H10 126.2 . . ?
Mo2 C17 H17 119.5 . . ?
C16 C17 Mo2 74.6(3) . . ?
C16 C17 H17 125.6 . . ?
C18 C17 Mo2 72.1(3) . . ?
C18 C17 C16 108.8(5) . . ?
C18 C17 H17 125.6 . . ?
N1 C29 H29 118.5 . . ?
N1 C29 C30 123.1(5) . . ?
C30 C29 H29 118.5 . . ?
Mo2 C15 H15 123.1 . . ?
C16 C15 Mo2 72.0(3) . . ?
C16 C15 H15 125.8 . . ?
C14 C15 Mo2 70.7(3) . . ?
C14 C15 C16 108.4(4) . . ?
C14 C15 H15 125.8 . . ?
O00H C6 Mo3 177.2(5) . . ?
O00E C1 Mo1 175.6(4) . . ?
C31 C30 C29 118.8(5) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
O00G C8 Mo4 176.0(5) . . ?
Mo3 C21 H21 123.1 . . ?
C22 C21 Mo3 71.5(3) . . ?
C22 C21 H21 126.3 . . ?
C20 C21 Mo3 70.7(3) . . ?
C20 C21 H21 126.3 . . ?
C20 C21 C22 107.4(6) . . ?
Mo1 C11 H11 120.7 . . ?
C10 C11 Mo1 71.1(3) . . ?
C10 C11 H11 126.0 . . ?
C10 C11 C12 108.0(5) . . ?
C12 C11 Mo1 74.0(3) . . ?
C12 C11 H11 126.0 . . ?
Mo1 C13 H13 121.6 . . ?
C9 C13 Mo1 70.9(3) . . ?
C9 C13 H13 125.9 . . ?
C9 C13 C12 108.3(5) . . ?
C12 C13 Mo1 73.4(3) . . ?
C12 C13 H13 125.9 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.8(5) . . ?
C33 C32 H32 120.1 . . ?
Mo4 C25 H25 120.3 . . ?
C26 C25 Mo4 71.8(3) . . ?
C26 C25 H25 125.8 . . ?
C26 C25 C24 108.4(5) . . ?
C24 C25 Mo4 73.9(3) . . ?
C24 C25 H25 125.8 . . ?
Mo2 C18 H18 120.1 . . ?
C17 C18 Mo2 72.4(3) . . ?
C17 C18 H18 126.2 . . ?
C17 C18 C14 107.6(5) . . ?
C14 C18 Mo2 73.1(3) . . ?
C14 C18 H18 126.2 . . ?
Mo1 C12 H12 123.2 . . ?
C11 C12 Mo1 70.6(3) . . ?
C11 C12 H12 126.3 . . ?
C13 C12 Mo1 71.7(3) . . ?
C13 C12 C11 107.5(5) . . ?
C13 C12 H12 126.3 . . ?
Mo4 C26 H26 119.7 . . ?
C25 C26 Mo4 72.6(3) . . ?
C25 C26 H26 126.3 . . ?
C25 C26 C27 107.3(6) . . ?
C27 C26 Mo4 73.2(3) . . ?
C27 C26 H26 126.3 . . ?
N1 C33 C32 122.3(5) . . ?
N1 C33 H33 118.9 . . ?
C32 C33 H33 118.9 . . ?
Mo3 C22 H22 121.4 . . ?
C21 C22 Mo3 73.6(3) . . ?
C21 C22 H22 125.9 . . ?
C23 C22 Mo3 70.8(3) . . ?
C23 C22 C21 108.3(6) . . ?
C23 C22 H22 125.9 . . ?
Mo4 C28 H28 123.4 . . ?
C24 C28 Mo4 71.5(3) . . ?
C24 C28 H28 126.0 . . ?
C24 C28 C27 108.0(5) . . ?
C27 C28 Mo4 70.7(3) . . ?
C27 C28 H28 126.0 . . ?
Mo3 C20 H20 120.5 . . ?
C21 C20 Mo3 74.4(3) . . ?
C21 C20 H20 125.7 . . ?
C21 C20 C19 108.6(5) . . ?
C19 C20 Mo3 71.2(3) . . ?
C19 C20 H20 125.7 . . ?
Mo4 C24 H24 121.1 . . ?
C25 C24 Mo4 70.9(3) . . ?
C25 C24 H24 125.8 . . ?
C28 C24 Mo4 73.9(3) . . ?
C28 C24 C25 108.5(5) . . ?
C28 C24 H24 125.8 . . ?
C34 C34 C31 178.9(9) 2_776 . ?
Mo3 C23 H23 120.1 . . ?
C22 C23 Mo3 74.1(3) . . ?
C22 C23 H23 125.8 . . ?
C22 C23 C19 108.5(6) . . ?
C19 C23 Mo3 71.9(3) . . ?
C19 C23 H23 125.8 . . ?
Mo4 C27 H27 120.5 . . ?
C26 C27 Mo4 70.8(3) . . ?
C26 C27 H27 126.1 . . ?
C28 C27 Mo4 74.4(3) . . ?
C28 C27 C26 107.8(6) . . ?
C28 C27 H27 126.1 . . ?
Mo2 C14 H14 120.6 . . ?
C15 C14 Mo2 74.4(3) . . ?
C15 C14 C18 107.8(5) . . ?
C15 C14 H14 126.1 . . ?
C18 C14 Mo2 70.6(3) . . ?
C18 C14 H14 126.1 . . ?
Mo3 C19 H19 119.9 . . ?
C20 C19 Mo3 73.2(3) . . ?
C20 C19 H19 126.4 . . ?
C23 C19 Mo3 72.4(3) . . ?
C23 C19 C20 107.2(6) . . ?
C23 C19 H19 126.4 . . ?
N2 C35 C36 175.9(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

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 C29 C30 169.4(4) . . . . ?
Ag1 N1 C33 C32 -169.8(4) . . . . ?
Mo1 C9 C10 C11 -65.4(3) . . . . ?
Mo1 C9 C13 C12 64.4(3) . . . . ?
Mo1 C10 C11 C12 -65.3(3) . . . . ?
Mo1 C11 C12 C13 -62.6(3) . . . . ?
Mo1 C13 C12 C11 61.8(3) . . . . ?
Mo2 C16 C17 C18 -64.5(3) . . . . ?
Mo2 C16 C15 C14 61.7(3) . . . . ?
Mo2 C17 C18 C14 -65.1(4) . . . . ?
Mo2 C15 C14 C18 63.2(3) . . . . ?
Mo2 C18 C14 C15 -65.7(3) . . . . ?
Mo3 C21 C22 C23 -62.8(4) . . . . ?
Mo3 C21 C20 C19 63.4(4) . . . . ?
Mo3 C22 C23 C19 -64.1(4) . . . . ?
Mo3 C20 C19 C23 64.9(4) . . . . ?
Mo3 C23 C19 C20 -65.5(4) . . . . ?
Mo4 C25 C26 C27 -65.5(4) . . . . ?
Mo4 C25 C24 C28 64.9(3) . . . . ?
Mo4 C26 C27 C28 -65.7(4) . . . . ?
Mo4 C28 C24 C25 -62.9(3) . . . . ?
Mo4 C28 C27 C26 63.3(4) . . . . ?
N1 C29 C30 C31 0.7(7) . . . . ?
C16 C17 C18 Mo2 66.2(3) . . . . ?
C16 C17 C18 C14 1.0(6) . . . . ?
C16 C15 C14 Mo2 -62.6(3) . . . . ?
C16 C15 C14 C18 0.6(5) . . . . ?
C9 C10 C11 Mo1 64.9(3) . . . . ?
C9 C10 C11 C12 -0.5(5) . . . . ?
C9 C13 C12 Mo1 -62.7(3) . . . . ?
C9 C13 C12 C11 -0.9(5) . . . . ?
C31 C32 C33 N1 -0.2(9) . . . . ?
C10 C9 C13 Mo1 -63.8(3) . . . . ?
C10 C9 C13 C12 0.6(5) . . . . ?
C10 C11 C12 Mo1 63.4(3) . . . . ?
C10 C11 C12 C13 0.8(5) . . . . ?
C17 C16 C15 Mo2 -61.7(3) . . . . ?
C17 C16 C15 C14 0.0(5) . . . . ?
C17 C18 C14 Mo2 64.7(3) . . . . ?
C17 C18 C14 C15 -1.0(6) . . . . ?
C29 N1 C33 C32 1.5(8) . . . . ?
C15 C16 C17 Mo2 63.9(3) . . . . ?
C15 C16 C17 C18 -0.6(5) . . . . ?
C30 C31 C32 C33 -0.9(8) . . . . ?
C21 C22 C23 Mo3 64.6(4) . . . . ?
C21 C22 C23 C19 0.4(6) . . . . ?
C21 C20 C19 Mo3 -65.5(4) . . . . ?
C21 C20 C19 C23 -0.6(6) . . . . ?
C13 C9 C10 Mo1 65.3(3) . . . . ?
C13 C9 C10 C11 -0.1(5) . . . . ?
C32 C31 C30 C29 0.6(7) . . . . ?
C25 C26 C27 Mo4 65.1(4) . . . . ?
C25 C26 C27 C28 -0.6(6) . . . . ?
C26 C25 C24 Mo4 -63.9(4) . . . . ?
C26 C25 C24 C28 0.9(6) . . . . ?
C33 N1 C29 C30 -1.8(7) . . . . ?
C22 C21 C20 Mo3 -62.5(4) . . . . ?
C22 C21 C20 C19 0.9(6) . . . . ?
C22 C23 C19 Mo3 65.6(4) . . . . ?
C22 C23 C19 C20 0.1(6) . . . . ?
C20 C21 C22 Mo3 62.0(4) . . . . ?
C20 C21 C22 C23 -0.8(6) . . . . ?
C24 C25 C26 Mo4 65.3(3) . . . . ?
C24 C25 C26 C27 -0.2(6) . . . . ?
C24 C28 C27 Mo4 -62.2(3) . . . . ?
C24 C28 C27 C26 1.2(6) . . . . ?
C34 C31 C30 C29 -178.0(5) . . . . ?
C34 C31 C32 C33 177.7(5) . . . . ?
C27 C28 C24 Mo4 61.6(3) . . . . ?
C27 C28 C24 C25 -1.3(6) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 138 electrons were 
found in a volume of 490Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1.5[CH2Cl2] per Asymmetric Unit 
which account for 126 electrons 
per unit cell.
;
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 0.000 0.000 0.000 490.0 138.0 '3 DCM'

_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
;
_vrf_PLAT043_ems_407_ap_abs      
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..     254.76 Check 
RESPONSE: The difference corresponds to the 3 dcm molecules, which could 
due to severe disorder not be modelled and were therefore treated with a
masking tool. 
;
_vrf_PLAT051_ems_407_ap_abs      
;
PROBLEM: Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .       9.17 %     
RESPONSE: This alert also is related to the masking of the disordered
dcm molecules.
;
_vrf_PLAT602_ems_407_ap_abs      
;
PROBLEM: Solvent Accessible VOID(S) in Structure ........          ! Check 
RESPONSE: Due to the severe disorder of some dcm molecules a solvent 
masking tool was used, which is causing this alert.
;
####################################################################### 
# 
# 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_ems_542f_mp_abs
_database_code_depnum_ccdc_archive 'CCDC 2048101'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_audit_creation_date             2017-10-18
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H16 Ag As2 Mo2 N4 O4, F6 P'
_chemical_formula_sum            'C22 H16 Ag As2 F6 Mo2 N4 O4 P'
_chemical_formula_weight         994.95
_chemical_melting_point          ?
_chemical_oxdiff_formula         C22H16AgAs2F6Mo2N4O4P
_chemical_oxdiff_usercomment     'orange blocks'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 '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                   12.5558(3)
_cell_length_b                   21.4306(5)
_cell_length_c                   10.6865(2)
_cell_angle_alpha                90
_cell_angle_beta                 101.817(2)
_cell_angle_gamma                90
_cell_volume                     2814.56(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10790
_cell_measurement_temperature    123.01(10)
_cell_measurement_theta_max      74.3010
_cell_measurement_theta_min      3.5350
_shelx_estimated_absorpt_T_max   0.277
_shelx_estimated_absorpt_T_min   0.134
_exptl_absorpt_coefficient_mu    16.591
_exptl_absorpt_correction_T_max  0.387
_exptl_absorpt_correction_T_min  0.152
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41h (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
8 -4 -3 0.0678
0 -14 1 0.0959
-6 -8 3 0.0743
-7 5 3 0.0479
8 3 -3 0.0771
-2 13 0 0.0919
-1 -7 -6 0.0603
-3 7 -5 0.0630
3 -5 5 0.0500
1 8 5 0.0675
8 -1 0 0.0499
-7 -6 0 0.0649
-7 6 0 0.0372
3 -6 -6 0.0594
0 7 -6 0.0641
0 -7 6 0.0610

_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.104
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
7.9991 -4.0049 -2.9923 0.2758 0.8546 0.5429
-0.0020 -14.0026 1.0097 -0.0918 -0.2901 0.9707
-6.0009 -7.9983 3.0019 -0.2737 -0.8690 0.3552
-6.9994 5.0041 2.9925 -0.3024 -0.7162 -0.5747
7.9998 2.9959 -2.9970 0.2481 1.0002 0.0621
-1.9981 13.0034 -0.0102 -0.0060 0.0352 -0.9668
-0.9961 -6.9937 -5.9989 0.9327 -0.2699 0.3894
-2.9949 7.0087 -5.0093 0.7757 -0.2128 -0.6370
2.9951 -5.0085 5.0080 -0.7836 0.2544 0.4996
0.9969 7.9949 4.9978 -0.7896 0.2896 -0.4671
7.9973 -1.0076 0.0071 -0.1773 0.9203 0.3641
-6.9983 -5.9941 -0.0016 0.1822 -0.9483 0.1536
-6.9972 6.0073 -0.0096 0.1349 -0.6987 -0.6706
3.0027 -5.9974 -5.9964 0.8381 0.2215 0.4684
0.0048 7.0069 -6.0074 0.8548 0.1390 -0.5353
-0.0048 -7.0069 6.0074 -0.8548 -0.1390 0.5353

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15640
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.231
_diffrn_reflns_theta_min         3.596
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.1818
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00 113.00   0.75    3.00    --   44.08  57.00 -90.00  124
  2  ω     21.00 114.00   0.75    3.00    --   44.08  38.00   0.00  124
  3  ω     23.00 108.50   0.75    9.00    --  104.50 -94.00 -60.00  114
  4  ω     82.00 172.00   0.75    9.00    --  104.50  45.00-180.00  120
  5  ω     23.00 108.50   0.75    9.00    --  104.50 -94.00   0.00  114
  6  ω     36.00  97.50   0.75    9.00    --  104.50 -45.00  60.00   82
  7  ω     36.00  97.50   0.75    9.00    --  104.50 -45.00   0.00   82
  8  ω    -50.00  26.50   0.75    3.00    --  -44.08  38.00 -90.00  102
  9  ω     20.00 113.00   0.75    3.00    --   44.08  57.00 120.00  124
 10  ω     79.00 173.50   0.75    9.00    --  104.50  61.00   0.00  126
 11  ω     68.00  98.00   0.75    9.00    --  104.50  15.00 120.00   40
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV 50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0225458000
_diffrn_orient_matrix_UB_12      -0.0040423000
_diffrn_orient_matrix_UB_13      -0.1470208000
_diffrn_orient_matrix_UB_21      0.1176978000
_diffrn_orient_matrix_UB_22      0.0207909000
_diffrn_orient_matrix_UB_23      0.0012084000
_diffrn_orient_matrix_UB_31      0.0368690000
_diffrn_orient_matrix_UB_32      -0.0686745000
_diffrn_orient_matrix_UB_33      0.0090366000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'GV50 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5096
_reflns_number_total             5559
_reflns_odcompleteness_completeness 99.67
_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 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.640
_refine_diff_density_min         -1.871
_refine_diff_density_rms         0.314
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5559
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0590
_refine_ls_restrained_S_all      1.061
_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)+(0.1198P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1588
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C22(H22), C20(H20), C5(H5), C4(H4), C17(H17), C6(H6), C15(H15),
 C13(H13), C7(H7), C3(H3), C16(H16), C11(H11), C14(H14), C10(H10), C12(H12)
;
_atom_sites_solution_hydrogens   geom
_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 0.33881(3) 0.33620(2) 0.60139(4) 0.01563(16) Uani 1 1 d . . . . .
Mo2 Mo 0.24004(3) 0.48817(2) 0.83614(4) 0.01483(16) Uani 1 1 d . . . . .
Mo1 Mo 0.29423(3) 0.53935(2) 0.58725(4) 0.01396(16) Uani 1 1 d . . . . .
As1 As 0.39326(4) 0.44829(3) 0.71841(6) 0.01288(18) Uani 1 1 d . . . . .
As2 As 0.20777(5) 0.42965(3) 0.62275(6) 0.01542(19) Uani 1 1 d . . . . .
P1 P 0.88137(13) 0.29359(9) 0.80571(16) 0.0257(4) Uani 1 1 d . . . . .
F6 F 0.9102(4) 0.2215(2) 0.8290(6) 0.0483(13) Uani 1 1 d . . . . .
F2 F 1.0042(4) 0.3118(3) 0.8656(6) 0.0646(18) Uani 1 1 d . . . . .
O3 O 0.4453(4) 0.5639(3) 0.9694(5) 0.0309(11) Uani 1 1 d . . . . .
F5 F 0.9079(5) 0.2906(3) 0.6687(5) 0.0603(16) Uani 1 1 d . . . . .
N3 N 0.4552(4) 0.2102(3) 0.3095(5) 0.0170(10) Uani 1 1 d . . . . .
N2 N 0.4441(4) 0.2713(3) 0.4915(4) 0.0147(10) Uani 1 1 d . . . . .
F3 F 0.8507(5) 0.3656(3) 0.7840(5) 0.0525(13) Uani 1 1 d . . . . .
F1 F 0.7577(4) 0.2759(3) 0.7468(6) 0.0613(16) Uani 1 1 d . . . . .
N4 N 0.2533(4) 0.2492(3) 0.1922(5) 0.0202(11) Uani 1 1 d . . . . .
N1 N 0.2435(4) 0.3119(3) 0.3718(5) 0.0209(11) Uani 1 1 d . . . . .
O2 O 0.0453(4) 0.5680(3) 0.5129(6) 0.0464(15) Uani 1 1 d . . . . .
F4 F 0.8524(6) 0.2967(3) 0.9440(5) 0.0626(16) Uani 1 1 d . . . . .
O1 O 0.2808(6) 0.4712(3) 0.3273(5) 0.0477(16) Uani 1 1 d . . . . .
O4 O 0.3243(5) 0.3685(3) 0.9918(5) 0.0410(14) Uani 1 1 d . . . . .
C21 C 0.6031(5) 0.2108(3) 0.4893(6) 0.0215(14) Uani 1 1 d . . . . .
H21 H 0.6724 0.1976 0.5291 0.026 Uiso 1 1 calc R . . . .
C19 C 0.4045(4) 0.2500(3) 0.3739(5) 0.0164(12) Uani 1 1 d . . . . .
C22 C 0.5540(5) 0.1908(3) 0.3672(6) 0.0193(13) Uani 1 1 d . . . . .
H22 H 0.5911 0.1631 0.3246 0.023 Uiso 1 1 calc R . . . .
C20 C 0.5432(5) 0.2510(3) 0.5476(5) 0.0166(12) Uani 1 1 d . . . . .
H20 H 0.5730 0.2649 0.6298 0.020 Uiso 1 1 calc R . . . .
C18 C 0.2933(4) 0.2721(3) 0.3083(5) 0.0137(11) Uani 1 1 d . . . . .
C8 C 0.3735(5) 0.5342(3) 0.9167(5) 0.0188(13) Uani 1 1 d . . . . .
C5 C 0.4430(6) 0.5882(4) 0.5387(7) 0.0300(16) Uani 1 1 d . . . . .
H5 H 0.4912 0.5656 0.5007 0.036 Uiso 1 1 calc R . . . .
C1 C 0.2834(6) 0.4935(4) 0.4234(7) 0.0279(15) Uani 1 1 d . . . . .
C2 C 0.1357(5) 0.5548(3) 0.5407(7) 0.0270(15) Uani 1 1 d . . . . .
C4 C 0.3482(6) 0.6192(4) 0.4735(7) 0.0292(15) Uani 1 1 d . . . . .
H4 H 0.3233 0.6207 0.3854 0.035 Uiso 1 1 calc R . . . .
C17 C 0.1553(5) 0.2708(4) 0.1327(6) 0.0260(15) Uani 1 1 d . . . . .
H17 H 0.1251 0.2566 0.0509 0.031 Uiso 1 1 calc R . . . .
C6 C 0.4517(5) 0.5974(3) 0.6704(7) 0.0279(15) Uani 1 1 d . . . . .
H6 H 0.5071 0.5825 0.7349 0.033 Uiso 1 1 calc R . . . .
C15 C 0.1458(5) 0.3327(4) 0.3111(7) 0.0261(15) Uani 1 1 d . . . . .
H15 H 0.1088 0.3612 0.3523 0.031 Uiso 1 1 calc R . . . .
C13 C 0.1552(6) 0.5583(4) 0.9493(8) 0.0372(18) Uani 1 1 d . U . . .
H13 H 0.1933 0.5911 0.9949 0.045 Uiso 1 1 calc R . . . .
C9 C 0.2989(5) 0.4116(4) 0.9321(6) 0.0257(15) Uani 1 1 d . . . . .
C7 C 0.3623(6) 0.6330(4) 0.6877(7) 0.0323(17) Uani 1 1 d . . . . .
H7 H 0.3475 0.6451 0.7660 0.039 Uiso 1 1 calc R . . . .
C3 C 0.2984(6) 0.6474(4) 0.5661(8) 0.0340(17) Uani 1 1 d . . . . .
H3 H 0.2350 0.6711 0.5501 0.041 Uiso 1 1 calc R . . . .
C16 C 0.0990(5) 0.3133(4) 0.1901(6) 0.0258(15) Uani 1 1 d . . . . .
H16 H 0.0315 0.3283 0.1485 0.031 Uiso 1 1 calc R . . . .
C11 C 0.0807(6) 0.4640(4) 0.9007(8) 0.0374(18) Uani 1 1 d . U . . .
H11 H 0.0607 0.4225 0.9068 0.045 Uiso 1 1 calc R . . . .
C14 C 0.0985(6) 0.5615(4) 0.8209(8) 0.0379(19) Uani 1 1 d . . . . .
H14 H 0.0940 0.5958 0.7669 0.046 Uiso 1 1 calc R . . . .
C10 C 0.1456(6) 0.4990(4) 0.9973(7) 0.038(2) Uani 1 1 d . . . . .
H10 H 0.1768 0.4850 1.0790 0.046 Uiso 1 1 calc R . . . .
C12 C 0.0505(6) 0.5030(4) 0.7909(8) 0.0374(18) Uani 1 1 d . U . . .
H12 H 0.0066 0.4916 0.7132 0.045 Uiso 1 1 calc R . . . .


_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 As1 2.7298(8) . ?
Ag1 As2 2.6314(8) . ?
Ag1 N3 2.596(5) 4_566 ?
Ag1 N2 2.387(5) . ?
Ag1 N4 2.423(5) 4_566 ?
Ag1 N1 2.553(5) . ?
Mo2 Mo1 3.0792(6) . ?
Mo2 As1 2.6468(7) . ?
Mo2 As2 2.5609(8) . ?
Mo2 C8 1.983(7) . ?
Mo2 C13 2.320(7) . ?
Mo2 C9 1.995(8) . ?
Mo2 C11 2.304(7) . ?
Mo2 C14 2.353(7) . ?
Mo2 C10 2.294(7) . ?
Mo2 C12 2.351(7) . ?
Mo1 As1 2.5699(8) . ?
Mo1 As2 2.6490(9) . ?
Mo1 C5 2.292(7) . ?
Mo1 C1 1.987(7) . ?
Mo1 C2 1.979(6) . ?
Mo1 C4 2.281(7) . ?
Mo1 C6 2.351(6) . ?
Mo1 C7 2.352(7) . ?
Mo1 C3 2.327(8) . ?
As1 As2 2.3777(8) . ?
P1 F6 1.594(6) . ?
P1 F2 1.592(5) . ?
P1 F5 1.568(5) . ?
P1 F3 1.595(6) . ?
P1 F1 1.597(5) . ?
P1 F4 1.594(5) . ?
O3 C8 1.151(8) . ?
N3 Ag1 2.596(5) 4_565 ?
N3 C19 1.336(8) . ?
N3 C22 1.333(8) . ?
N2 C19 1.334(8) . ?
N2 C20 1.339(8) . ?
N4 Ag1 2.423(5) 4_565 ?
N4 C18 1.333(8) . ?
N4 C17 1.346(8) . ?
N1 C18 1.324(8) . ?
N1 C15 1.341(8) . ?
O2 C2 1.149(8) . ?
O1 C1 1.128(9) . ?
O4 C9 1.130(9) . ?
C21 H21 0.9300 . ?
C21 C22 1.391(9) . ?
C21 C20 1.375(9) . ?
C19 C18 1.505(8) . ?
C22 H22 0.9300 . ?
C20 H20 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.415(11) . ?
C5 C6 1.404(11) . ?
C4 H4 0.9300 . ?
C4 C3 1.411(11) . ?
C17 H17 0.9300 . ?
C17 C16 1.373(10) . ?
C6 H6 0.9300 . ?
C6 C7 1.400(11) . ?
C15 H15 0.9300 . ?
C15 C16 1.371(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.412(12) . ?
C13 C10 1.385(13) . ?
C7 H7 0.9300 . ?
C7 C3 1.415(12) . ?
C3 H3 0.9300 . ?
C16 H16 0.9300 . ?
C11 H11 0.9300 . ?
C11 C10 1.396(12) . ?
C11 C12 1.428(13) . ?
C14 H14 0.9300 . ?
C14 C12 1.399(13) . ?
C10 H10 0.9300 . ?
C12 H12 0.9300 . ?

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
As2 Ag1 As1 52.61(2) . . ?
N3 Ag1 As1 84.29(12) 4_566 . ?
N3 Ag1 As2 118.01(12) 4_566 . ?
N2 Ag1 As1 128.78(12) . . ?
N2 Ag1 As2 154.87(12) . . ?
N2 Ag1 N3 85.81(16) . 4_566 ?
N2 Ag1 N4 95.30(18) . 4_566 ?
N2 Ag1 N1 66.81(17) . . ?
N4 Ag1 As1 124.83(13) 4_566 . ?
N4 Ag1 As2 101.77(14) 4_566 . ?
N4 Ag1 N3 65.51(17) 4_566 4_566 ?
N4 Ag1 N1 94.12(18) 4_566 . ?
N1 Ag1 As1 130.07(14) . . ?
N1 Ag1 As2 93.45(13) . . ?
N1 Ag1 N3 144.67(18) . 4_566 ?
As1 Mo2 Mo1 52.677(18) . . ?
As2 Mo2 Mo1 55.10(2) . . ?
As2 Mo2 As1 54.30(2) . . ?
C8 Mo2 Mo1 83.17(17) . . ?
C8 Mo2 As1 74.64(17) . . ?
C8 Mo2 As2 126.56(17) . . ?
C8 Mo2 C13 83.6(3) . . ?
C8 Mo2 C9 89.7(3) . . ?
C8 Mo2 C11 133.6(3) . . ?
C8 Mo2 C14 104.9(3) . . ?
C8 Mo2 C10 98.3(3) . . ?
C8 Mo2 C12 138.7(3) . . ?
C13 Mo2 Mo1 115.2(2) . . ?
C13 Mo2 As1 155.9(2) . . ?
C13 Mo2 As2 140.9(2) . . ?
C13 Mo2 C14 35.2(3) . . ?
C13 Mo2 C12 57.7(3) . . ?
C9 Mo2 Mo1 127.80(18) . . ?
C9 Mo2 As1 75.52(17) . . ?
C9 Mo2 As2 91.7(2) . . ?
C9 Mo2 C13 115.2(3) . . ?
C9 Mo2 C11 85.1(3) . . ?
C9 Mo2 C14 141.2(3) . . ?
C9 Mo2 C10 83.7(3) . . ?
C9 Mo2 C12 118.0(3) . . ?
C11 Mo2 Mo1 134.2(2) . . ?
C11 Mo2 As1 146.1(2) . . ?
C11 Mo2 As2 99.7(2) . . ?
C11 Mo2 C13 58.0(3) . . ?
C11 Mo2 C14 58.8(3) . . ?
C11 Mo2 C12 35.7(3) . . ?
C14 Mo2 Mo1 90.0(2) . . ?
C14 Mo2 As1 142.7(2) . . ?
C14 Mo2 As2 106.6(2) . . ?
C10 Mo2 Mo1 148.5(2) . . ?
C10 Mo2 As1 158.0(2) . . ?
C10 Mo2 As2 134.9(2) . . ?
C10 Mo2 C13 34.9(3) . . ?
C10 Mo2 C11 35.3(3) . . ?
C10 Mo2 C14 59.0(3) . . ?
C10 Mo2 C12 58.9(3) . . ?
C12 Mo2 Mo1 99.6(2) . . ?
C12 Mo2 As1 138.6(2) . . ?
C12 Mo2 As2 85.1(2) . . ?
C12 Mo2 C14 34.6(3) . . ?
As1 Mo1 Mo2 54.989(18) . . ?
As1 Mo1 As2 54.18(2) . . ?
As2 Mo1 Mo2 52.459(18) . . ?
C5 Mo1 Mo2 133.87(19) . . ?
C5 Mo1 As1 98.3(2) . . ?
C5 Mo1 As2 144.6(2) . . ?
C5 Mo1 C6 35.2(3) . . ?
C5 Mo1 C7 58.5(3) . . ?
C5 Mo1 C3 59.2(3) . . ?
C1 Mo1 Mo2 126.7(2) . . ?
C1 Mo1 As1 92.5(2) . . ?
C1 Mo1 As2 74.4(2) . . ?
C1 Mo1 C5 86.5(3) . . ?
C1 Mo1 C4 82.9(3) . . ?
C1 Mo1 C6 119.7(3) . . ?
C1 Mo1 C7 140.9(3) . . ?
C1 Mo1 C3 113.9(3) . . ?
C2 Mo1 Mo2 83.6(2) . . ?
C2 Mo1 As1 127.9(2) . . ?
C2 Mo1 As2 76.3(2) . . ?
C2 Mo1 C5 133.7(3) . . ?
C2 Mo1 C1 88.7(3) . . ?
C2 Mo1 C4 97.7(3) . . ?
C2 Mo1 C6 137.0(3) . . ?
C2 Mo1 C7 103.0(3) . . ?
C2 Mo1 C3 81.4(3) . . ?
C4 Mo1 Mo2 150.45(19) . . ?
C4 Mo1 As1 134.2(2) . . ?
C4 Mo1 As2 156.53(19) . . ?
C4 Mo1 C5 36.1(3) . . ?
C4 Mo1 C6 59.0(3) . . ?
C4 Mo1 C7 58.9(3) . . ?
C4 Mo1 C3 35.6(3) . . ?
C6 Mo1 Mo2 100.34(18) . . ?
C6 Mo1 As1 85.43(18) . . ?
C6 Mo1 As2 138.86(18) . . ?
C6 Mo1 C7 34.6(3) . . ?
C7 Mo1 Mo2 91.91(18) . . ?
C7 Mo1 As1 108.0(2) . . ?
C7 Mo1 As2 144.37(18) . . ?
C3 Mo1 Mo2 116.8(2) . . ?
C3 Mo1 As1 142.20(19) . . ?
C3 Mo1 As2 156.13(18) . . ?
C3 Mo1 C6 58.4(3) . . ?
C3 Mo1 C7 35.2(3) . . ?
Mo2 As1 Ag1 111.33(2) . . ?
Mo1 As1 Ag1 111.75(3) . . ?
Mo1 As1 Mo2 72.33(2) . . ?
As2 As1 Ag1 61.57(2) . . ?
As2 As1 Mo2 61.01(2) . . ?
As2 As1 Mo1 64.61(2) . . ?
Ag1 As2 Mo1 112.41(2) . . ?
Mo2 As2 Ag1 117.53(3) . . ?
Mo2 As2 Mo1 72.44(2) . . ?
As1 As2 Ag1 65.82(2) . . ?
As1 As2 Mo2 64.69(2) . . ?
As1 As2 Mo1 61.21(2) . . ?
F6 P1 F3 178.9(3) . . ?
F6 P1 F1 90.2(3) . . ?
F6 P1 F4 89.1(3) . . ?
F2 P1 F6 90.3(3) . . ?
F2 P1 F3 90.4(3) . . ?
F2 P1 F1 179.3(4) . . ?
F2 P1 F4 90.2(4) . . ?
F5 P1 F6 91.2(3) . . ?
F5 P1 F2 90.7(4) . . ?
F5 P1 F3 89.7(3) . . ?
F5 P1 F1 89.9(4) . . ?
F5 P1 F4 179.1(4) . . ?
F3 P1 F1 89.2(3) . . ?
F4 P1 F3 90.0(3) . . ?
F4 P1 F1 89.3(4) . . ?
C19 N3 Ag1 116.2(4) . 4_565 ?
C22 N3 Ag1 125.8(4) . 4_565 ?
C22 N3 C19 117.1(5) . . ?
C19 N2 Ag1 121.8(4) . . ?
C19 N2 C20 116.3(5) . . ?
C20 N2 Ag1 121.8(4) . . ?
C18 N4 Ag1 122.5(4) . 4_565 ?
C18 N4 C17 116.6(6) . . ?
C17 N4 Ag1 120.5(4) . 4_565 ?
C18 N1 Ag1 116.5(4) . . ?
C18 N1 C15 116.6(5) . . ?
C15 N1 Ag1 126.8(4) . . ?
C22 C21 H21 122.0 . . ?
C20 C21 H21 122.0 . . ?
C20 C21 C22 116.0(6) . . ?
N3 C19 C18 117.1(5) . . ?
N2 C19 N3 125.4(5) . . ?
N2 C19 C18 117.5(5) . . ?
N3 C22 C21 122.0(6) . . ?
N3 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
N2 C20 C21 123.0(5) . . ?
N2 C20 H20 118.5 . . ?
C21 C20 H20 118.5 . . ?
N4 C18 C19 117.0(5) . . ?
N1 C18 N4 125.9(5) . . ?
N1 C18 C19 117.0(5) . . ?
O3 C8 Mo2 173.9(5) . . ?
Mo1 C5 H5 119.6 . . ?
C4 C5 Mo1 71.6(4) . . ?
C4 C5 H5 125.9 . . ?
C6 C5 Mo1 74.7(4) . . ?
C6 C5 H5 125.9 . . ?
C6 C5 C4 108.2(6) . . ?
O1 C1 Mo1 174.9(7) . . ?
O2 C2 Mo1 175.3(7) . . ?
Mo1 C4 H4 119.4 . . ?
C5 C4 Mo1 72.4(4) . . ?
C5 C4 H4 126.1 . . ?
C3 C4 Mo1 74.0(4) . . ?
C3 C4 C5 107.7(6) . . ?
C3 C4 H4 126.1 . . ?
N4 C17 H17 119.3 . . ?
N4 C17 C16 121.4(6) . . ?
C16 C17 H17 119.3 . . ?
Mo1 C6 H6 122.8 . . ?
C5 C6 Mo1 70.1(4) . . ?
C5 C6 H6 126.0 . . ?
C7 C6 Mo1 72.8(4) . . ?
C7 C6 C5 108.1(6) . . ?
C7 C6 H6 126.0 . . ?
N1 C15 H15 119.1 . . ?
N1 C15 C16 121.9(6) . . ?
C16 C15 H15 119.1 . . ?
Mo2 C13 H13 121.4 . . ?
C14 C13 Mo2 73.7(4) . . ?
C14 C13 H13 125.1 . . ?
C10 C13 Mo2 71.5(4) . . ?
C10 C13 H13 125.1 . . ?
C10 C13 C14 109.9(8) . . ?
O4 C9 Mo2 173.7(6) . . ?
Mo1 C7 H7 121.8 . . ?
C6 C7 Mo1 72.6(4) . . ?
C6 C7 H7 125.8 . . ?
C6 C7 C3 108.4(6) . . ?
C3 C7 Mo1 71.4(5) . . ?
C3 C7 H7 125.8 . . ?
Mo1 C3 H3 121.7 . . ?
C4 C3 Mo1 70.4(4) . . ?
C4 C3 C7 107.6(7) . . ?
C4 C3 H3 126.2 . . ?
C7 C3 Mo1 73.4(5) . . ?
C7 C3 H3 126.2 . . ?
C17 C16 H16 121.2 . . ?
C15 C16 C17 117.6(6) . . ?
C15 C16 H16 121.2 . . ?
Mo2 C11 H11 120.0 . . ?
C10 C11 Mo2 71.9(4) . . ?
C10 C11 H11 126.0 . . ?
C10 C11 C12 108.1(8) . . ?
C12 C11 Mo2 73.9(4) . . ?
C12 C11 H11 126.0 . . ?
Mo2 C14 H14 121.3 . . ?
C13 C14 Mo2 71.2(4) . . ?
C13 C14 H14 126.6 . . ?
C12 C14 Mo2 72.6(4) . . ?
C12 C14 C13 106.7(8) . . ?
C12 C14 H14 126.6 . . ?
Mo2 C10 H10 119.3 . . ?
C13 C10 Mo2 73.6(4) . . ?
C13 C10 C11 107.5(8) . . ?
C13 C10 H10 126.2 . . ?
C11 C10 Mo2 72.7(4) . . ?
C11 C10 H10 126.2 . . ?
Mo2 C12 H12 122.5 . . ?
C11 C12 Mo2 70.4(4) . . ?
C11 C12 H12 126.1 . . ?
C14 C12 Mo2 72.7(4) . . ?
C14 C12 C11 107.8(8) . . ?
C14 C12 H12 126.1 . . ?

_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
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 5.690
_oxdiff_exptl_absorpt_empirical_full_min 0.139
_vrf_PLAT971_ems_542f_mp_abs     
;
PROBLEM: Check Calcd Resid. Dens.  0.81A   From Ag1             2.70 eA-3  
RESPONSE: The residual density near the Ag and Mo atoms is likely a 
relic from the absorption correction.
;
####################################################################### 
# 
# 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_ems_404_mc_abs
_database_code_depnum_ccdc_archive 'CCDC 2048104'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_audit_creation_date             2020-01-13
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H19 Ag As3 Mo3 N O6, F6 P, C H2 Cl2'
_chemical_formula_sum            'C27 H21 Ag As3 Cl2 F6 Mo3 N O6 P'
_chemical_formula_weight         1291.77
_chemical_melting_point          ?
_chemical_oxdiff_formula         C27H21AgAs3Cl2F6Mo3NO6P
_chemical_oxdiff_usercomment     'red block'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 '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           15
_space_group_name_H-M_alt        'C 1 2/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'
'-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                   24.8486(4)
_cell_length_b                   18.8751(3)
_cell_length_c                   15.5925(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.2656(17)
_cell_angle_gamma                90
_cell_volume                     7237.2(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    14488
_cell_measurement_temperature    123.11(10)
_cell_measurement_theta_max      74.2730
_cell_measurement_theta_min      3.9340
_shelx_estimated_absorpt_T_max   0.373
_shelx_estimated_absorpt_T_min   0.140
_exptl_absorpt_coefficient_mu    18.091
_exptl_absorpt_correction_T_max  0.444
_exptl_absorpt_correction_T_min  0.144
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41h (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4904
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 12 -2 0.0638
1 0 0 0.0279
-1 0 0 0.0406
-2 -5 1 0.0748
1 -1 -5 0.0641
-5 4 4 0.0325
4 5 -1 0.0509
-5 3 0 0.0441
-2 -2 5 0.0829
-1 -5 -4 0.0572
0 5 4 0.0239
5 3 2 0.0219
-3 -5 -2 0.0563
3 5 1 0.0299
5 -1 1 0.0295

_exptl_crystal_size_max          0.179
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.068
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9989 11.9949 -1.9997 0.1547 0.7239 0.6712
0.9999 0.0005 0.0003 0.0072 0.0431 -0.0449
-0.9999 -0.0005 -0.0003 -0.0072 -0.0431 0.0449
-1.9995 -4.9988 0.9996 -0.0602 -0.3736 -0.2130
1.0034 -0.9930 -5.0065 -0.4902 0.1005 0.0311
-5.0028 3.9903 4.0047 0.4514 -0.0917 0.3406
3.9992 4.9997 -0.9990 0.0745 0.4598 0.1232
-5.0000 2.9957 -0.0008 0.0479 -0.0563 0.3904
-2.0027 -2.0055 5.0055 0.3992 -0.3028 -0.1521
-0.9963 -4.9925 -4.0067 -0.5224 -0.2200 -0.1265
-0.0036 4.9920 4.0064 0.5152 0.1769 0.1714
4.9975 2.9980 2.0048 0.3075 0.3305 -0.1111
-2.9974 -4.9958 -2.0046 -0.3490 -0.3504 -0.0893
2.9980 4.9969 1.0033 0.2551 0.3725 0.1155
4.9990 -0.9982 1.0026 0.1018 0.1403 -0.3060

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21960
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.254
_diffrn_reflns_theta_min         2.951
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.11(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.1818
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  67.00   1.00    2.00    --   44.33 -57.00   0.00   92
  2  ω     35.00  91.00   1.00    6.00    --  104.50 -30.00 -30.00   56
  3  ω     44.00 135.00   1.00    6.00    --  104.50 -77.00 -30.00   91
  4  ω     78.00 120.00   1.00    6.00    --  104.50-125.00-120.00   42
  5  ω     34.00 123.00   1.00    2.00    --   44.33-178.00   0.00   89
  6  ω     38.00 130.00   1.00    6.00    --  104.50 -61.00  90.00   92
  7  ω     90.00 173.00   1.00    6.00    --  104.50  45.00 150.00   83
  8  ω     79.00 174.00   1.00    6.00    --  104.50  61.00-120.00   95
  9  ω     33.00  58.00   1.00    6.00    --  104.50-125.00-120.00   25
 10  ω     27.00 113.00   1.00    6.00    --  104.50-105.00 -63.00   86
 11  ω     32.00  88.00   1.00    6.00    --  104.50 -30.00-120.00   56
 12  ω   -116.00 -19.00   1.00    2.00    --  -44.33 -77.00 150.00   97
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0071370000
_diffrn_orient_matrix_UB_12      0.0279416000
_diffrn_orient_matrix_UB_13      0.0937965000
_diffrn_orient_matrix_UB_21      0.0430844000
_diffrn_orient_matrix_UB_22      0.0531012000
_diffrn_orient_matrix_UB_23      -0.0219758000
_diffrn_orient_matrix_UB_31      -0.0449214000
_diffrn_orient_matrix_UB_32      0.0553317000
_diffrn_orient_matrix_UB_33      -0.0261916000
_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              'GV50 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6547
_reflns_number_total             7156
_reflns_odcompleteness_completeness 99.73
_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 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.868
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         7156
_refine_ls_number_restraints     234
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.071
_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)+(0.0347P)²+13.2391P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0650
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Cl1B-C27B \\sim Cl2B-C27B
 with sigma of 0.02
 C21A-C20A \\sim C17A-C21A \\sim C20A-C19A
 with sigma of 0.02
 O5A-C15A \\sim O5B-C15B
 with sigma of 0.02
 O6A-C16A \\sim O6B-C16B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C19A \\sim C18B \\sim C19B \\sim C20B \\sim C21A \\sim C20A \\sim C21B \\sim
C17A \\sim C17B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
O6A \\sim O6B \\sim C16B \\sim C16A \\sim C15B \\sim C15A \\sim O5A \\sim O5B:
within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
Cl1B \\sim C27B \\sim Cl2B \\sim Cl2A \\sim C27A: within 1.9A with sigma of
0.02 and sigma for terminal atoms of 0.02 within 1.9A
Uanis(C27B) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: As3A(0.5) O5A(0.5) C15A(0.5) O6A(0.5) C16A(0.5) Cl1A(0.65)
 Cl2A(0.65) C27A(0.65) H27A(0.65) H27B(0.65) Cl2B(0.35) Cl1B(0.35) C27B(0.35)
 H27C(0.35) H27D(0.35) As3B(0.5) O6B(0.5) C16B(0.5) C15B(0.5) O5B(0.5)
 C17A(0.5) H17A(0.5) C21A(0.5) H21A(0.5) C20A(0.5) H20A(0.5) C19A(0.5)
 H19A(0.5) C20B(0.5) H20B(0.5) C19B(0.5) H19B(0.5) C18B(0.5) H18B(0.5)
 H17B(0.5) H17C(0.5) C21B(0.5) H21B(0.5)
5.a Ternary CH refined with riding coordinates:
 C17B(H17B), C17B(H17C)
5.b Secondary CH2 refined with riding coordinates:
 C27A(H27A,H27B), C27B(H27C,H27D)
5.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C3(H3), C10(H10), C4(H4), C12(H12), C11(H11), C14(H14), C5(H5),
 C6(H6), C25(H25), C7(H7), C22(H22), C26(H26), C23(H23), C17A(H17A), C21A(H21A),
  C20A(H20A), C19A(H19A), C20B(H20B), C19B(H19B), C18B(H18B), C21B(H21B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.60152(2) 0.20717(2) 0.51726(2) 0.02214(7) Uani 1 1 d . . . . .
Mo2 Mo 0.60588(2) 0.07823(2) 0.63761(2) 0.01995(6) Uani 1 1 d . . . . .
Mo3 Mo 0.43788(2) 0.48105(2) 0.74683(2) 0.02387(7) Uani 1 1 d . . . . .
Ag1 Ag 0.47417(2) 0.24605(2) 0.66455(2) 0.04285(8) Uani 1 1 d . . . . .
As1 As 0.57982(2) 0.20911(2) 0.67407(2) 0.02155(8) Uani 1 1 d . . . . .
As2 As 0.51863(2) 0.14221(2) 0.57265(2) 0.02114(8) Uani 1 1 d . . . . .
As3A As 0.49321(5) 0.39833(7) 0.65450(9) 0.0360(3) Uani 0.5 1 d . . P A 1
P1 P 0.73567(4) 0.49744(5) 0.60889(6) 0.03224(19) Uani 1 1 d . . . . .
F2 F 0.67398(10) 0.47299(14) 0.58642(18) 0.0507(6) Uani 1 1 d . . . . .
F3 F 0.73588(12) 0.51898(16) 0.50874(16) 0.0557(7) Uani 1 1 d . . . . .
F6 F 0.71424(12) 0.57582(13) 0.62610(19) 0.0525(6) Uani 1 1 d . . . . .
F5 F 0.73560(11) 0.47925(16) 0.70849(17) 0.0565(7) Uani 1 1 d . . . . .
F1 F 0.79686(10) 0.52554(17) 0.62991(18) 0.0587(7) Uani 1 1 d . . . . .
O3 O 0.56161(12) 0.05321(14) 0.81248(18) 0.0406(6) Uani 1 1 d . . . . .
O4 O 0.71265(11) 0.14750(15) 0.7342(2) 0.0454(7) Uani 1 1 d . . . . .
N1 N 0.38903(13) 0.24780(17) 0.5915(2) 0.0358(7) Uani 1 1 d . . . . .
O2 O 0.55336(14) 0.10598(18) 0.3665(2) 0.0523(8) Uani 1 1 d . . . . .
F4 F 0.75609(15) 0.42121(15) 0.5888(3) 0.0750(9) Uani 1 1 d . . . . .
O1 O 0.50435(12) 0.30969(17) 0.4582(2) 0.0536(8) Uani 1 1 d . . . . .
O5A O 0.3552(5) 0.3622(7) 0.7563(7) 0.049(3) Uani 0.5 1 d D U P B 1
C24 C 0.27912(14) 0.24952(19) 0.5190(2) 0.0305(7) Uani 1 1 d . . . . .
C8 C 0.57750(14) 0.06515(16) 0.7491(2) 0.0277(7) Uani 1 1 d . . . . .
C9 C 0.67279(14) 0.12426(18) 0.7003(2) 0.0312(7) Uani 1 1 d . . . . .
C13 C 0.58051(16) -0.00978(17) 0.5334(3) 0.0337(8) Uani 1 1 d . . . . .
H13 H 0.549496 -0.004817 0.490424 0.040 Uiso 1 1 calc R U . . .
C2 C 0.56947(16) 0.1414(2) 0.4235(3) 0.0365(8) Uani 1 1 d . . . . .
C3 C 0.67480(15) 0.2058(2) 0.4398(3) 0.0379(8) Uani 1 1 d . . . . .
H3 H 0.676416 0.172124 0.394917 0.045 Uiso 1 1 calc R U . . .
C10 C 0.63545(18) -0.03601(18) 0.6608(3) 0.0409(9) Uani 1 1 d . . . . .
H10 H 0.647623 -0.051714 0.718215 0.049 Uiso 1 1 calc R U . . .
C4 C 0.69755(14) 0.1975(2) 0.5281(3) 0.0352(8) Uani 1 1 d . . . . .
H4 H 0.717373 0.157664 0.552842 0.042 Uiso 1 1 calc R U . . .
C12 C 0.63425(16) 0.01049(19) 0.5248(3) 0.0355(8) Uani 1 1 d . . . . .
H12 H 0.645653 0.031363 0.474962 0.043 Uiso 1 1 calc R U . . .
C11 C 0.66804(16) -0.0056(2) 0.6031(3) 0.0394(9) Uani 1 1 d . . . . .
H11 H 0.706116 0.002485 0.615053 0.047 Uiso 1 1 calc R U . . .
C1 C 0.53933(15) 0.2715(2) 0.4815(3) 0.0347(8) Uani 1 1 d . . . . .
C15A C 0.3884(9) 0.4039(11) 0.7533(11) 0.039(3) Uani 0.5 1 d D U P B 1
C14 C 0.58104(17) -0.03874(17) 0.6171(3) 0.0367(8) Uani 1 1 d . . . . .
H14 H 0.550462 -0.056866 0.640147 0.044 Uiso 1 1 calc R U . . .
C5 C 0.68528(14) 0.25963(19) 0.5728(3) 0.0358(8) Uani 1 1 d . . . . .
H5 H 0.695279 0.268523 0.632991 0.043 Uiso 1 1 calc R U . . .
C6 C 0.65559(15) 0.30604(19) 0.5123(3) 0.0373(8) Uani 1 1 d . . . . .
H6 H 0.642267 0.351501 0.524797 0.045 Uiso 1 1 calc R U . . .
C25 C 0.30647(16) 0.1874(2) 0.5405(4) 0.0522(12) Uani 1 1 d . . . . .
H25 H 0.288027 0.143414 0.531106 0.063 Uiso 1 1 calc R U . . .
O6A O 0.4523(4) 0.4990(8) 0.9414(6) 0.082(3) Uani 0.5 1 d D U P B 1
C7 C 0.64917(16) 0.2733(2) 0.4304(3) 0.0374(8) Uani 1 1 d . . . . .
H7 H 0.630924 0.292808 0.377959 0.045 Uiso 1 1 calc R U . . .
C22 C 0.3628(2) 0.3075(3) 0.5679(4) 0.0677(17) Uani 1 1 d . . . . .
H22 H 0.382487 0.350691 0.575899 0.081 Uiso 1 1 calc R U . . .
C16A C 0.4498(9) 0.4919(10) 0.8685(9) 0.049(3) Uani 0.5 1 d D U P B 1
C26 C 0.36102(16) 0.1887(2) 0.5760(3) 0.0494(11) Uani 1 1 d . . . . .
H26 H 0.379030 0.144879 0.589733 0.059 Uiso 1 1 calc R U . . .
C23 C 0.3088(2) 0.3108(2) 0.5326(4) 0.0662(17) Uani 1 1 d . . . . .
H23 H 0.292225 0.355292 0.517574 0.079 Uiso 1 1 calc R U . . .
Cl1A Cl 0.77602(7) 0.31273(9) 0.78390(12) 0.0519(4) Uani 0.65 1 d . . P C 1
Cl2A Cl 0.88520(14) 0.2647(2) 0.8290(3) 0.1180(17) Uani 0.65 1 d . U P C 1
C27A C 0.8189(4) 0.2370(3) 0.8026(7) 0.0378(16) Uani 0.65 1 d . U P C 1
H27A H 0.808020 0.208379 0.850498 0.045 Uiso 0.65 1 calc R U P C 1
H27B H 0.815269 0.207155 0.749875 0.045 Uiso 0.65 1 calc R U P C 1
Cl2B Cl 0.9337(3) 0.2861(3) 0.7901(3) 0.0894(15) Uani 0.35 1 d D U P D 2
Cl1B Cl 0.8212(5) 0.2649(5) 0.8016(7) 0.131(3) Uani 0.35 1 d D U P D 2
C27B C 0.8859(5) 0.2613(12) 0.8553(10) 0.040(3) Uani 0.35 1 d D U P D 2
H27C H 0.893719 0.212352 0.876471 0.048 Uiso 0.35 1 calc R U P D 2
H27D H 0.888919 0.292944 0.906393 0.048 Uiso 0.35 1 calc R U P D 2
As3B As 0.49153(5) 0.38200(7) 0.69449(10) 0.0398(3) Uani 0.5 1 d . . P A 2
O6B O 0.4462(4) 0.5405(4) 0.9392(5) 0.051(2) Uani 0.5 1 d D U P B 2
C16B C 0.4434(8) 0.5152(7) 0.8740(8) 0.033(3) Uani 0.5 1 d D U P B 2
C15B C 0.3857(8) 0.4043(10) 0.7810(10) 0.031(3) Uani 0.5 1 d D U P B 2
O5B O 0.3556(5) 0.3616(6) 0.7947(6) 0.043(2) Uani 0.5 1 d D U P B 2
C17A C 0.4172(5) 0.5990(6) 0.7468(7) 0.044(2) Uani 0.5 1 d D U P B 1
H17A H 0.427660 0.624346 0.799149 0.053 Uiso 0.5 1 calc R U P B 1
C21A C 0.4472(4) 0.5933(5) 0.6787(6) 0.0433(18) Uani 0.5 1 d D U P B 1
H21A H 0.481001 0.615943 0.675620 0.052 Uiso 0.5 1 calc R U P B 1
C20A C 0.4198(5) 0.5495(7) 0.6162(8) 0.045(2) Uani 0.5 1 d D U P B 1
H20A H 0.432516 0.536846 0.563617 0.054 Uiso 0.5 1 calc R U P B 1
C19A C 0.3710(5) 0.5264(6) 0.6410(8) 0.050(2) Uani 0.5 1 d D U P B 1
H19A H 0.345025 0.495310 0.610066 0.059 Uiso 0.5 1 calc R U P B 1
C20B C 0.4354(5) 0.5654(7) 0.6394(9) 0.043(2) Uani 0.5 1 d . U P B 2
H20B H 0.467716 0.577409 0.616670 0.051 Uiso 0.5 1 calc R U P B 2
C19B C 0.3980(5) 0.5129(6) 0.6084(6) 0.0495(19) Uani 0.5 1 d . U P B 2
H19B H 0.399791 0.483261 0.559584 0.059 Uiso 0.5 1 calc R U P B 2
C18B C 0.3567(4) 0.5118(7) 0.6631(7) 0.048(2) Uani 0.5 1 d . U P B 2
H18B H 0.325956 0.481355 0.656493 0.058 Uiso 0.5 1 calc R U P B 2
C17B C 0.36818(18) 0.5604(2) 0.7250(3) 0.0486(10) Uani 1 1 d . U . . .
H17B H 0.335814 0.561834 0.756383 0.058 Uiso 0.5 1 calc R U P B 1
H17C H 0.344150 0.573880 0.768601 0.058 Uiso 0.5 1 calc R U P B 2
C21B C 0.4162(6) 0.5968(7) 0.7105(8) 0.047(2) Uani 0.5 1 d . U P B 2
H21B H 0.432429 0.635671 0.743378 0.057 Uiso 0.5 1 calc R U P B 2


_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 3.0654(3) . ?
Mo1 As1 2.5786(4) . ?
Mo1 As2 2.6464(4) . ?
Mo1 C2 1.995(4) . ?
Mo1 C3 2.325(3) . ?
Mo1 C4 2.375(3) . ?
Mo1 C1 1.982(4) . ?
Mo1 C5 2.355(3) . ?
Mo1 C6 2.307(3) . ?
Mo1 C7 2.293(3) . ?
Mo2 As1 2.6365(4) . ?
Mo2 As2 2.5600(4) . ?
Mo2 C8 1.983(3) . ?
Mo2 C9 2.002(4) . ?
Mo2 C13 2.346(3) . ?
Mo2 C10 2.290(3) . ?
Mo2 C12 2.363(4) . ?
Mo2 C11 2.328(3) . ?
Mo2 C14 2.303(3) . ?
Mo3 C15A 1.918(15) . ?
Mo3 C16A 1.889(14) . ?
Mo3 C16B 2.071(11) . ?
Mo3 C15B 2.065(14) . ?
Mo3 C17A 2.284(11) . ?
Mo3 C21A 2.397(8) . ?
Mo3 C19A 2.331(10) . ?
Mo3 C20B 2.305(10) . ?
Mo3 C19B 2.321(9) . ?
Mo3 C18B 2.314(10) . ?
Mo3 C17B 2.278(4) . ?
Mo3 C21B 2.302(12) . ?
Ag1 Ag1 2.7867(6) 2_656 ?
Ag1 As1 2.6997(4) . ?
Ag1 As1 3.0964(5) 2_656 ?
Ag1 As2 2.7514(4) . ?
Ag1 As3A 2.9208(13) . ?
Ag1 N1 2.254(3) . ?
Ag1 As3B 2.6327(13) . ?
As1 As2 2.3907(5) . ?
As3A C16A 2.325(16) 2_656 ?
P1 F2 1.591(3) . ?
P1 F3 1.614(3) . ?
P1 F6 1.608(3) . ?
P1 F5 1.591(3) . ?
P1 F1 1.599(3) . ?
P1 F4 1.572(3) . ?
O3 C8 1.139(4) . ?
O4 C9 1.141(5) . ?
N1 C22 1.328(6) . ?
N1 C26 1.319(6) . ?
O2 C2 1.138(5) . ?
O1 C1 1.147(5) . ?
O5A C15A 1.147(12) . ?
C24 C24 1.483(7) 7_556 ?
C24 C25 1.372(6) . ?
C24 C23 1.372(6) . ?
C13 H13 0.9500 . ?
C13 C12 1.414(5) . ?
C13 C14 1.413(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.420(6) . ?
C3 C7 1.423(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.415(6) . ?
C10 C14 1.425(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.419(6) . ?
C12 H12 0.9500 . ?
C12 C11 1.413(6) . ?
C11 H11 0.9500 . ?
C14 H14 0.9500 . ?
C5 H5 0.9500 . ?
C5 C6 1.415(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.408(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(6) . ?
O6A C16A 1.137(13) . ?
C7 H7 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.375(6) . ?
C26 H26 0.9500 . ?
C23 H23 0.9500 . ?
Cl1A C27A 1.781(8) . ?
Cl2A C27A 1.722(11) . ?
C27A H27A 0.9900 . ?
C27A H27B 0.9900 . ?
Cl2B C27B 1.737(11) . ?
Cl1B C27B 1.704(15) . ?
C27B H27C 0.9900 . ?
C27B H27D 0.9900 . ?
As3B As3B 1.722(3) 2_656 ?
O6B C16B 1.117(11) . ?
C15B O5B 1.139(11) . ?
C17A H17A 0.9500 . ?
C17A C21A 1.386(11) . ?
C17A C17B 1.417(15) . ?
C21A H21A 0.9500 . ?
C21A C20A 1.381(12) . ?
C20A H20A 0.9500 . ?
C20A C19A 1.396(13) . ?
C19A H19A 0.9500 . ?
C19A C17B 1.470(15) . ?
C20B H20B 0.9500 . ?
C20B C19B 1.396(18) . ?
C20B C21B 1.401(18) . ?
C19B H19B 0.9500 . ?
C19B C18B 1.427(13) . ?
C18B H18B 0.9500 . ?
C18B C17B 1.332(14) . ?
C17B H17B 1.0000 . ?
C17B H17C 1.0000 . ?
C17B C21B 1.424(15) . ?
C21B H21B 0.9500 . ?

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
As1 Mo1 Mo2 54.879(10) . . ?
As1 Mo1 As2 54.440(11) . . ?
As2 Mo1 Mo2 52.634(9) . . ?
C2 Mo1 Mo2 85.96(11) . . ?
C2 Mo1 As1 126.00(11) . . ?
C2 Mo1 As2 72.74(11) . . ?
C2 Mo1 C3 82.65(16) . . ?
C2 Mo1 C4 107.21(15) . . ?
C2 Mo1 C5 140.37(15) . . ?
C2 Mo1 C6 130.70(15) . . ?
C2 Mo1 C7 95.24(15) . . ?
C3 Mo1 Mo2 110.34(9) . . ?
C3 Mo1 As1 141.15(11) . . ?
C3 Mo1 As2 150.29(10) . . ?
C3 Mo1 C4 35.16(15) . . ?
C3 Mo1 C5 58.62(15) . . ?
C4 Mo1 Mo2 87.06(9) . . ?
C4 Mo1 As1 106.16(10) . . ?
C4 Mo1 As2 139.68(9) . . ?
C1 Mo1 Mo2 128.05(10) . . ?
C1 Mo1 As1 89.83(11) . . ?
C1 Mo1 As2 76.33(10) . . ?
C1 Mo1 C2 87.86(17) . . ?
C1 Mo1 C3 119.87(14) . . ?
C1 Mo1 C4 143.32(13) . . ?
C1 Mo1 C5 117.25(15) . . ?
C1 Mo1 C6 85.93(14) . . ?
C1 Mo1 C7 87.03(14) . . ?
C5 Mo1 Mo2 99.03(9) . . ?
C5 Mo1 As1 86.52(10) . . ?
C5 Mo1 As2 139.73(10) . . ?
C5 Mo1 C4 34.92(14) . . ?
C6 Mo1 Mo2 133.88(11) . . ?
C6 Mo1 As1 102.86(11) . . ?
C6 Mo1 As2 150.45(10) . . ?
C6 Mo1 C3 59.24(14) . . ?
C6 Mo1 C4 58.70(13) . . ?
C6 Mo1 C5 35.32(14) . . ?
C7 Mo1 Mo2 144.89(10) . . ?
C7 Mo1 As1 138.49(11) . . ?
C7 Mo1 As2 159.61(11) . . ?
C7 Mo1 C3 35.88(13) . . ?
C7 Mo1 C4 59.00(13) . . ?
C7 Mo1 C5 58.96(15) . . ?
C7 Mo1 C6 35.64(15) . . ?
As1 Mo2 Mo1 53.130(10) . . ?
As2 Mo2 Mo1 55.246(10) . . ?
As2 Mo2 As1 54.760(11) . . ?
C8 Mo2 Mo1 130.52(9) . . ?
C8 Mo2 As1 78.37(9) . . ?
C8 Mo2 As2 91.02(10) . . ?
C8 Mo2 C9 90.05(15) . . ?
C8 Mo2 C13 115.15(14) . . ?
C8 Mo2 C10 83.72(14) . . ?
C8 Mo2 C12 140.08(13) . . ?
C8 Mo2 C11 116.68(14) . . ?
C8 Mo2 C14 83.13(14) . . ?
C9 Mo2 Mo1 84.74(9) . . ?
C9 Mo2 As1 72.57(10) . . ?
C9 Mo2 As2 125.82(9) . . ?
C9 Mo2 C13 140.12(14) . . ?
C9 Mo2 C10 96.11(15) . . ?
C9 Mo2 C12 106.44(15) . . ?
C9 Mo2 C11 82.88(15) . . ?
C9 Mo2 C14 132.17(14) . . ?
C13 Mo2 Mo1 98.96(10) . . ?
C13 Mo2 As1 139.72(9) . . ?
C13 Mo2 As2 86.10(9) . . ?
C13 Mo2 C12 34.94(13) . . ?
C10 Mo2 Mo1 145.75(11) . . ?
C10 Mo2 As1 158.65(11) . . ?
C10 Mo2 As2 137.81(12) . . ?
C10 Mo2 C13 59.39(15) . . ?
C10 Mo2 C12 58.99(14) . . ?
C10 Mo2 C11 35.68(15) . . ?
C10 Mo2 C14 36.15(15) . . ?
C12 Mo2 Mo1 87.82(10) . . ?
C12 Mo2 As1 140.94(10) . . ?
C12 Mo2 As2 106.68(10) . . ?
C11 Mo2 Mo1 111.40(11) . . ?
C11 Mo2 As1 151.49(10) . . ?
C11 Mo2 As2 141.42(11) . . ?
C11 Mo2 C13 58.65(14) . . ?
C11 Mo2 C12 35.04(15) . . ?
C14 Mo2 Mo1 133.71(11) . . ?
C14 Mo2 As1 149.23(10) . . ?
C14 Mo2 As2 101.68(11) . . ?
C14 Mo2 C13 35.38(14) . . ?
C14 Mo2 C12 58.68(14) . . ?
C14 Mo2 C11 59.29(14) . . ?
C15A Mo3 C17A 126.4(8) . . ?
C15A Mo3 C21A 143.0(8) . . ?
C15A Mo3 C19A 85.3(8) . . ?
C15A Mo3 C17B 91.6(8) . . ?
C16A Mo3 C15A 92.2(8) . . ?
C16A Mo3 C17A 84.1(6) . . ?
C16A Mo3 C21A 109.7(7) . . ?
C16A Mo3 C19A 131.6(6) . . ?
C16A Mo3 C17B 94.8(5) . . ?
C16B Mo3 C20B 118.2(6) . . ?
C16B Mo3 C19B 140.4(5) . . ?
C16B Mo3 C18B 113.2(6) . . ?
C16B Mo3 C17B 83.2(5) . . ?
C16B Mo3 C21B 85.4(5) . . ?
C15B Mo3 C16B 85.9(7) . . ?
C15B Mo3 C20B 136.1(7) . . ?
C15B Mo3 C19B 102.8(6) . . ?
C15B Mo3 C18B 78.0(7) . . ?
C15B Mo3 C17B 90.4(7) . . ?
C15B Mo3 C21B 126.6(7) . . ?
C17A Mo3 C21A 34.3(3) . . ?
C17A Mo3 C19A 60.3(4) . . ?
C19A Mo3 C21A 57.7(4) . . ?
C20B Mo3 C19B 35.1(4) . . ?
C20B Mo3 C18B 59.1(4) . . ?
C18B Mo3 C19B 35.9(3) . . ?
C17B Mo3 C17A 36.2(4) . . ?
C17B Mo3 C21A 58.1(3) . . ?
C17B Mo3 C19A 37.2(4) . . ?
C17B Mo3 C20B 59.8(3) . . ?
C17B Mo3 C19B 58.5(3) . . ?
C17B Mo3 C18B 33.7(4) . . ?
C17B Mo3 C21B 36.2(4) . . ?
C21B Mo3 C20B 35.4(4) . . ?
C21B Mo3 C19B 58.1(4) . . ?
C21B Mo3 C18B 57.9(5) . . ?
Ag1 Ag1 As1 54.322(12) 2_656 2_656 ?
Ag1 Ag1 As3A 89.74(3) 2_656 . ?
As1 Ag1 Ag1 68.698(13) . 2_656 ?
As1 Ag1 As1 115.380(13) . 2_656 ?
As1 Ag1 As2 52.016(11) . . ?
As1 Ag1 As3A 95.36(3) . . ?
As2 Ag1 Ag1 109.493(12) . 2_656 ?
As2 Ag1 As1 121.070(15) . 2_656 ?
As2 Ag1 As3A 126.35(3) . . ?
As3A Ag1 As1 110.96(3) . 2_656 ?
N1 Ag1 Ag1 138.84(9) . 2_656 ?
N1 Ag1 As1 150.03(8) . . ?
N1 Ag1 As1 85.92(9) . 2_656 ?
N1 Ag1 As2 99.53(8) . . ?
N1 Ag1 As3A 96.08(9) . . ?
N1 Ag1 As3B 101.14(9) . . ?
As3B Ag1 As1 96.24(3) . . ?
As3B Ag1 As2 135.96(3) . . ?
Mo1 As1 Mo2 71.991(11) . . ?
Mo1 As1 Ag1 161.412(15) . 2_656 ?
Mo1 As1 Ag1 106.607(15) . . ?
Mo2 As1 Ag1 119.817(15) . . ?
Mo2 As1 Ag1 122.329(14) . 2_656 ?
Ag1 As1 Ag1 56.981(12) . 2_656 ?
As2 As1 Mo1 64.224(13) . . ?
As2 As1 Mo2 60.992(12) . . ?
As2 As1 Ag1 110.355(15) . 2_656 ?
As2 As1 Ag1 65.107(13) . . ?
Mo1 As2 Ag1 103.272(14) . . ?
Mo2 As2 Mo1 72.120(11) . . ?
Mo2 As2 Ag1 120.707(15) . . ?
As1 As2 Mo1 61.336(12) . . ?
As1 As2 Mo2 64.248(12) . . ?
As1 As2 Ag1 62.877(12) . . ?
Mo3 As3A Mo3 71.19(3) . 2_656 ?
Mo3 As3A Ag1 130.30(5) 2_656 . ?
Mo3 As3A Ag1 116.85(5) . . ?
C16A As3A Mo3 90.6(5) 2_656 . ?
C16A As3A Mo3 44.1(4) 2_656 2_656 ?
C16A As3A Ag1 149.7(6) 2_656 . ?
F2 P1 F3 89.83(15) . . ?
F2 P1 F6 88.38(15) . . ?
F2 P1 F1 177.39(17) . . ?
F6 P1 F3 88.68(16) . . ?
F5 P1 F2 90.92(15) . . ?
F5 P1 F3 177.87(17) . . ?
F5 P1 F6 89.35(15) . . ?
F5 P1 F1 90.34(16) . . ?
F1 P1 F3 88.83(15) . . ?
F1 P1 F6 89.35(16) . . ?
F4 P1 F2 91.09(17) . . ?
F4 P1 F3 89.53(19) . . ?
F4 P1 F6 178.1(2) . . ?
F4 P1 F5 92.45(19) . . ?
F4 P1 F1 91.14(18) . . ?
C22 N1 Ag1 122.7(3) . . ?
C26 N1 Ag1 120.8(2) . . ?
C26 N1 C22 116.2(3) . . ?
C25 C24 C24 121.9(4) . 7_556 ?
C25 C24 C23 116.5(4) . . ?
C23 C24 C24 121.6(4) . 7_556 ?
O3 C8 Mo2 175.7(3) . . ?
O4 C9 Mo2 176.0(3) . . ?
Mo2 C13 H13 121.9 . . ?
C12 C13 Mo2 73.2(2) . . ?
C12 C13 H13 126.0 . . ?
C14 C13 Mo2 70.6(2) . . ?
C14 C13 H13 126.0 . . ?
C14 C13 C12 108.0(4) . . ?
O2 C2 Mo1 175.4(3) . . ?
Mo1 C3 H3 120.6 . . ?
C4 C3 Mo1 74.3(2) . . ?
C4 C3 H3 126.0 . . ?
C4 C3 C7 107.9(4) . . ?
C7 C3 Mo1 70.8(2) . . ?
C7 C3 H3 126.0 . . ?
Mo2 C10 H10 119.6 . . ?
C11 C10 Mo2 73.6(2) . . ?
C11 C10 H10 126.3 . . ?
C11 C10 C14 107.5(4) . . ?
C14 C10 Mo2 72.40(19) . . ?
C14 C10 H10 126.3 . . ?
Mo1 C4 H4 123.2 . . ?
C3 C4 Mo1 70.5(2) . . ?
C3 C4 H4 126.2 . . ?
C5 C4 Mo1 71.8(2) . . ?
C5 C4 C3 107.6(3) . . ?
C5 C4 H4 126.2 . . ?
Mo2 C12 H12 122.7 . . ?
C13 C12 Mo2 71.9(2) . . ?
C13 C12 H12 125.9 . . ?
C11 C12 Mo2 71.1(2) . . ?
C11 C12 C13 108.2(4) . . ?
C11 C12 H12 125.9 . . ?
Mo2 C11 H11 121.3 . . ?
C10 C11 Mo2 70.7(2) . . ?
C10 C11 H11 125.9 . . ?
C12 C11 Mo2 73.8(2) . . ?
C12 C11 C10 108.3(4) . . ?
C12 C11 H11 125.9 . . ?
O1 C1 Mo1 177.3(3) . . ?
O5A C15A Mo3 174(2) . . ?
Mo2 C14 H14 120.4 . . ?
C13 C14 Mo2 74.00(19) . . ?
C13 C14 C10 108.1(3) . . ?
C13 C14 H14 126.0 . . ?
C10 C14 Mo2 71.4(2) . . ?
C10 C14 H14 126.0 . . ?
Mo1 C5 H5 122.0 . . ?
C4 C5 Mo1 73.3(2) . . ?
C4 C5 H5 125.9 . . ?
C6 C5 Mo1 70.5(2) . . ?
C6 C5 C4 108.2(4) . . ?
C6 C5 H5 125.9 . . ?
Mo1 C6 H6 120.1 . . ?
C5 C6 Mo1 74.2(2) . . ?
C5 C6 H6 125.9 . . ?
C7 C6 Mo1 71.6(2) . . ?
C7 C6 C5 108.3(3) . . ?
C7 C6 H6 125.9 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(4) . . ?
C26 C25 H25 119.9 . . ?
Mo1 C7 H7 119.8 . . ?
C3 C7 Mo1 73.3(2) . . ?
C3 C7 H7 126.0 . . ?
C6 C7 Mo1 72.7(2) . . ?
C6 C7 C3 108.0(4) . . ?
C6 C7 H7 126.0 . . ?
N1 C22 H22 117.9 . . ?
N1 C22 C23 124.2(4) . . ?
C23 C22 H22 117.9 . . ?
Mo3 C16A As3A 76.9(5) . 2_656 ?
O6A C16A Mo3 174.2(17) . . ?
O6A C16A As3A 107.2(12) . 2_656 ?
N1 C26 C25 123.2(4) . . ?
N1 C26 H26 118.4 . . ?
C25 C26 H26 118.4 . . ?
C24 C23 C22 119.7(4) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
Cl1A C27A H27A 109.9 . . ?
Cl1A C27A H27B 109.9 . . ?
Cl2A C27A Cl1A 108.9(4) . . ?
Cl2A C27A H27A 109.9 . . ?
Cl2A C27A H27B 109.9 . . ?
H27A C27A H27B 108.3 . . ?
Cl2B C27B H27C 109.2 . . ?
Cl2B C27B H27D 109.2 . . ?
Cl1B C27B Cl2B 112.2(9) . . ?
Cl1B C27B H27C 109.2 . . ?
Cl1B C27B H27D 109.2 . . ?
H27C C27B H27D 107.9 . . ?
Mo3 As3B Mo3 73.49(3) . 2_656 ?
Mo3 As3B Ag1 134.85(5) . . ?
Ag1 As3B Mo3 146.80(5) . 2_656 ?
As3B As3B Mo3 74.72(6) 2_656 . ?
As3B As3B Ag1 100.86(4) 2_656 . ?
O6B C16B Mo3 172.8(12) . . ?
O5B C15B Mo3 175.8(13) . . ?
Mo3 C17A H17A 117.2 . . ?
C21A C17A Mo3 77.3(6) . . ?
C21A C17A H17A 125.8 . . ?
C21A C17A C17B 108.4(9) . . ?
C17B C17A Mo3 71.7(5) . . ?
C17B C17A H17A 125.8 . . ?
Mo3 C21A H21A 124.2 . . ?
C17A C21A Mo3 68.4(6) . . ?
C17A C21A H21A 125.6 . . ?
C20A C21A Mo3 73.4(7) . . ?
C20A C21A C17A 108.8(10) . . ?
C20A C21A H21A 125.6 . . ?
Mo3 C20A H20A 123.5 . . ?
C21A C20A Mo3 73.2(6) . . ?
C21A C20A H20A 124.7 . . ?
C21A C20A C19A 110.5(10) . . ?
C19A C20A Mo3 70.2(6) . . ?
C19A C20A H20A 124.7 . . ?
Mo3 C19A H19A 119.7 . . ?
C20A C19A Mo3 75.5(7) . . ?
C20A C19A H19A 127.3 . . ?
C20A C19A C17B 105.3(9) . . ?
C17B C19A Mo3 69.5(4) . . ?
C17B C19A H19A 127.3 . . ?
Mo3 C20B H20B 120.1 . . ?
C19B C20B Mo3 73.1(5) . . ?
C19B C20B H20B 126.6 . . ?
C19B C20B C21B 106.8(11) . . ?
C21B C20B Mo3 72.2(6) . . ?
C21B C20B H20B 126.6 . . ?
Mo3 C19B H19B 122.0 . . ?
C20B C19B Mo3 71.8(6) . . ?
C20B C19B H19B 126.2 . . ?
C20B C19B C18B 107.6(11) . . ?
C18B C19B Mo3 71.8(5) . . ?
C18B C19B H19B 126.2 . . ?
Mo3 C18B H18B 122.1 . . ?
C19B C18B Mo3 72.4(6) . . ?
C19B C18B H18B 125.5 . . ?
C17B C18B Mo3 71.7(5) . . ?
C17B C18B C19B 109.0(10) . . ?
C17B C18B H18B 125.5 . . ?
Mo3 C17B H17B 126.3 . . ?
Mo3 C17B H17C 125.5 . . ?
C17A C17B Mo3 72.1(5) . . ?
C17A C17B C19A 106.8(7) . . ?
C17A C17B H17B 126.3 . . ?
C19A C17B Mo3 73.4(4) . . ?
C19A C17B H17B 126.3 . . ?
C18B C17B Mo3 74.6(5) . . ?
C18B C17B H17C 125.5 . . ?
C18B C17B C21B 108.3(8) . . ?
C21B C17B Mo3 72.8(5) . . ?
C21B C17B H17C 125.5 . . ?
Mo3 C21B H21B 122.3 . . ?
C20B C21B Mo3 72.4(7) . . ?
C20B C21B C17B 108.0(11) . . ?
C20B C21B H21B 126.0 . . ?
C17B C21B Mo3 71.0(5) . . ?
C17B C21B H21B 126.0 . . ?

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
Mo1 C3 C4 C5 -62.6(2) . . . . ?
Mo1 C3 C7 C6 65.0(2) . . . . ?
Mo1 C4 C5 C6 -62.3(2) . . . . ?
Mo1 C5 C6 C7 -64.0(2) . . . . ?
Mo1 C6 C7 C3 -65.4(2) . . . . ?
Mo2 C13 C12 C11 62.3(3) . . . . ?
Mo2 C13 C14 C10 -63.8(2) . . . . ?
Mo2 C10 C11 C12 -64.7(3) . . . . ?
Mo2 C10 C14 C13 65.5(2) . . . . ?
Mo2 C12 C11 C10 62.7(3) . . . . ?
Mo3 C17A C21A C20A 62.6(8) . . . . ?
Mo3 C17A C17B C19A -65.7(5) . . . . ?
Mo3 C21A C20A C19A 60.5(9) . . . . ?
Mo3 C20A C19A C17B 63.5(6) . . . . ?
Mo3 C19A C17B C17A 64.9(6) . . . . ?
Mo3 C20B C19B C18B 63.2(6) . . . . ?
Mo3 C20B C21B C17B -62.4(6) . . . . ?
Mo3 C19B C18B C17B 62.7(6) . . . . ?
Mo3 C18B C17B C21B 65.5(6) . . . . ?
Mo3 C17B C21B C20B 63.4(8) . . . . ?
Ag1 N1 C22 C23 -172.0(5) . . . . ?
Ag1 N1 C26 C25 172.2(4) . . . . ?
N1 C22 C23 C24 -0.8(11) . . . . ?
C24 C24 C25 C26 180.0(5) 7_556 . . . ?
C24 C24 C23 C22 -179.9(6) 7_556 . . . ?
C24 C25 C26 N1 0.6(8) . . . . ?
C13 C12 C11 Mo2 -62.8(2) . . . . ?
C13 C12 C11 C10 0.0(4) . . . . ?
C3 C4 C5 Mo1 61.8(2) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C4 C3 C7 Mo1 -65.6(2) . . . . ?
C4 C3 C7 C6 -0.6(4) . . . . ?
C4 C5 C6 Mo1 64.1(2) . . . . ?
C4 C5 C6 C7 0.1(4) . . . . ?
C12 C13 C14 Mo2 64.1(2) . . . . ?
C12 C13 C14 C10 0.3(4) . . . . ?
C11 C10 C14 Mo2 -65.8(3) . . . . ?
C11 C10 C14 C13 -0.3(4) . . . . ?
C15A Mo3 C16A As3A 81.1(9) . . . 2_656 ?
C14 C13 C12 Mo2 -62.5(2) . . . . ?
C14 C13 C12 C11 -0.2(4) . . . . ?
C14 C10 C11 Mo2 65.0(2) . . . . ?
C14 C10 C11 C12 0.2(4) . . . . ?
C5 C6 C7 Mo1 65.6(2) . . . . ?
C5 C6 C7 C3 0.3(4) . . . . ?
C25 C24 C23 C22 -1.5(9) . . . . ?
C7 C3 C4 Mo1 63.3(2) . . . . ?
C7 C3 C4 C5 0.6(4) . . . . ?
C22 N1 C26 C25 -2.8(8) . . . . ?
C26 N1 C22 C23 2.9(9) . . . . ?
C23 C24 C25 C26 1.6(8) . . . . ?
C17A Mo3 C16A As3A -152.5(6) . . . 2_656 ?
C17A C21A C20A Mo3 -59.5(7) . . . . ?
C17A C21A C20A C19A 1.0(13) . . . . ?
C21A Mo3 C16A As3A -129.3(4) . . . 2_656 ?
C21A C17A C17B Mo3 69.2(7) . . . . ?
C21A C17A C17B C19A 3.5(10) . . . . ?
C21A C20A C19A Mo3 -62.3(9) . . . . ?
C21A C20A C19A C17B 1.1(12) . . . . ?
C20A C19A C17B Mo3 -67.7(8) . . . . ?
C20A C19A C17B C17A -2.8(10) . . . . ?
C19A Mo3 C16A As3A 166.8(4) . . . 2_656 ?
C20B C19B C18B Mo3 -63.3(7) . . . . ?
C20B C19B C18B C17B -0.6(10) . . . . ?
C19B C20B C21B Mo3 65.4(7) . . . . ?
C19B C20B C21B C17B 2.9(12) . . . . ?
C19B C18B C17B Mo3 -63.1(6) . . . . ?
C19B C18B C17B C21B 2.4(10) . . . . ?
C18B C17B C21B Mo3 -66.7(5) . . . . ?
C18B C17B C21B C20B -3.3(11) . . . . ?
C17B Mo3 C16A As3A 172.9(4) . . . 2_656 ?
C17B C17A C21A Mo3 -65.5(6) . . . . ?
C17B C17A C21A C20A -2.9(11) . . . . ?
C21B C20B C19B Mo3 -64.8(8) . . . . ?
C21B C20B C19B C18B -1.5(11) . . . . ?

_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 3.223
_oxdiff_exptl_absorpt_empirical_full_min 0.745
####################################################################### 
# 
# 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_js2016_ap_abs_gaus
_database_code_depnum_ccdc_archive 'CCDC 2048102'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_audit_creation_date             2020-01-31
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.01.31 svn.r88ba2a32 for OlexSys, GUI svn.r6020)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C90 H80 Ag4 As8 Mo8 N8 O16, 4(F6 P)'
_chemical_formula_sum            'C90 H80 Ag4 As8 F24 Mo8 N8 O16 P4'
_chemical_formula_weight         3907.86
_chemical_melting_point          ?
_chemical_oxdiff_formula         C90H80Ag4As8F24Mo8N8O16P4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 '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                   10.7861(2)
_cell_length_b                   20.7482(4)
_cell_length_c                   26.5944(5)
_cell_angle_alpha                79.429(2)
_cell_angle_beta                 87.128(2)
_cell_angle_gamma                77.470(2)
_cell_volume                     5710.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    34095
_cell_measurement_temperature    122.97(12)
_cell_measurement_theta_max      74.0760
_cell_measurement_theta_min      4.1610
_shelx_estimated_absorpt_T_max   0.267
_shelx_estimated_absorpt_T_min   0.193
_exptl_absorpt_coefficient_mu    16.312
_exptl_absorpt_correction_T_max  0.411
_exptl_absorpt_correction_T_min  0.182
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.54a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3736
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -11 -5 0.0713
0 -11 -12 0.0592
-3 10 3 0.0790
-5 0 -12 0.0679
-4 0 13 0.0522
-5 -10 4 0.0566
-3 -13 -5 0.0509
4 12 1 0.0716
5 5 -10 0.0571
2 -8 -14 0.0526
2 13 8 0.0781
5 2 -12 0.0532
7 6 1 0.0611
6 0 -6 0.0546
-6 0 6 0.0565
-5 -11 -8 0.0437
6 0 6 0.0697
6 5 11 0.0649
1 10 13 0.0735
4 2 15 0.0652
5 -4 9 0.0784
2 0 17 0.0566
2 -5 13 0.0683
-1 13 3 0.0746
-2 -1 -17 0.0486
-1 -3 16 0.0592
1 13 6 0.0732

_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.4803 -11.0390 -5.4875 0.1789 -0.5049 0.8444
0.2557 -11.0369 -11.5380 0.0267 -0.0756 0.9968
-3.2118 10.3375 2.7195 -0.2284 0.6444 -0.7298
-4.6882 0.4914 -12.2115 -0.3211 0.9058 0.2763
-4.1612 -0.1471 13.3465 0.7892 0.2797 -0.5468
-4.9238 -9.7325 4.4899 0.9112 0.3231 0.2555
-3.2052 -12.9427 -4.8900 0.5776 0.2049 0.7902
4.1460 12.2133 0.9707 -0.7578 -0.2687 -0.5946
4.9524 5.1769 -9.9696 -0.9274 -0.3287 0.1785
1.6062 -7.6581 -14.2744 -0.3228 -0.1143 0.9395
2.1033 12.7466 8.2384 -0.3690 -0.1310 -0.9202
4.5281 1.9905 -12.3590 -0.8544 -0.3028 0.4222
6.7744 6.0866 0.7707 -0.5971 -0.7787 -0.1927
6.3594 -0.1092 -5.9931 -0.5670 -0.7394 0.3632
-6.3502 0.1497 6.0313 0.5662 0.7383 -0.3665
-4.5793 -10.8435 -8.2828 0.3961 0.5167 0.7590
6.4730 0.3560 5.9704 -0.0779 -0.9947 -0.0667
5.5467 5.4553 10.9429 -0.0660 -0.8426 -0.5345
1.4288 10.4903 13.0975 -0.0156 -0.1998 -0.9797
3.9749 2.1861 14.5658 0.3275 -0.7898 -0.5187
4.5587 -4.4407 9.0326 0.3827 -0.9229 0.0427
1.7728 0.3021 16.5235 0.6124 -0.5807 -0.5364
2.0177 -5.1544 13.1446 0.7204 -0.6831 -0.1199
-1.1165 12.5120 2.6714 -0.4397 0.4171 -0.7954
-1.7294 -0.8436 -16.6842 -0.5951 0.5643 0.5722
-0.7687 -3.2141 15.6811 0.8726 -0.3086 -0.3785
0.8387 13.2346 5.7877 -0.4365 0.1048 -0.8936

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            63285
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.148
_diffrn_reflns_theta_min         3.381
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      122.97(12)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -5.00  31.00   1.00    1.17    --  -44.92  19.00-180.00   36
  2  ω     -5.00  31.00   1.00    1.17    --  -44.92  19.00  30.00   36
  3  ω   -119.00  29.00   1.00    1.17    --  -44.92   0.00-180.00  148
  4  ω     15.00  42.00   1.00    1.17    --   44.92  76.00-158.33   27
  5  ω     27.00  98.00   1.00    1.17    --   44.92-125.00  90.00   71
  6  ω     23.00 106.00   1.00    4.68    --  104.50 -94.00 -90.00   83
  7  ω     82.00 173.00   1.00    4.68    --  104.50  44.00 164.41   91
  8  ω     50.00  72.00   1.00    4.68    --  104.50 -45.00-180.00   22
  9  ω     81.00 177.00   1.00    4.68    --  104.50  30.00  60.00   96
 10  ω    103.00 176.00   1.00    4.68    --  104.50  77.00  90.00   73
 11  ω     33.00 127.00   1.00    4.68    --  104.50 -77.00  60.00   94
 12  ω     36.00  72.00   1.00    4.68    --  104.50 -45.00  60.00   36
 13  ω     28.00 108.00   1.00    4.68    --  104.50-108.00  28.68   80
 14  ω     33.00 120.00   1.00    4.68    --  104.50-135.00-102.60   87
 15  ω     14.00  42.00   1.00    1.17    --   44.92  79.00 -90.41   28
 16  ω     14.00  42.00   1.00    1.17    --   44.92  79.00 151.86   28
 17  ω     15.00  42.00   1.00    1.17    --   44.92  77.00 113.48   27
 18  ω     21.00 113.00   1.00    1.17    --   44.92  57.00  30.00   92
 19  ω     78.00 173.00   1.00    4.68    --  104.50  66.00-147.88   95
 20  ω     77.00 174.00   1.00    4.68    --  104.50  69.00 101.21   97
 21  ω     68.00 178.00   1.00    4.68    --  104.50  15.00 -30.00  110
 22  ω     79.00 117.00   1.00    4.68    --  104.50  61.00-180.00   38
 23  ω     77.00 173.00   1.00    4.68    --  104.50  67.00 -18.31   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0492400000
_diffrn_orient_matrix_UB_12      -0.0487672000
_diffrn_orient_matrix_UB_13      0.0432400000
_diffrn_orient_matrix_UB_21      -0.1356653000
_diffrn_orient_matrix_UB_22      0.0257235000
_diffrn_orient_matrix_UB_23      -0.0210589000
_diffrn_orient_matrix_UB_31      0.0240888000
_diffrn_orient_matrix_UB_32      -0.0541540000
_diffrn_orient_matrix_UB_33      -0.0340550000
_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              'GV50 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20378
_reflns_number_total             22500
_reflns_odcompleteness_completeness 99.52
_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 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.064
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1463
_refine_ls_number_reflns         22500
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0306
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0346P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0754
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C68(H68A,H68B), C24(H24A,H24B), C67(H67A,H67B), C69(H69A,H69B), C22(H22A,
 H22B), C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C57(H57), C71(H71), C18(H18), C56(H56), C21(H21), C73(H73), C70(H70),
 C44(H44), C10(H10), C14(H14), C20(H20), C65(H65), C48(H48), C66(H66), C74(H74),
  C81(H81), C28(H28), C63(H63), C26(H26), C17(H17), C29(H29), C82(H82),
 C86(H86), C52(H52), C3(H3), C43(H43), C45(H45), C62(H62), C59(H59), C58(H58),
 C49(H49), C7(H7), C11(H11), C12(H12), C50(H50), C13(H13), C5(H5), C35(H35),
 C41(H41), C80(H80), C90(H90), C51(H51), C42(H42), C25(H25), C55(H55), C4(H4),
 C36(H36), C6(H6), C79(H79), C34(H34), C87(H87), C89(H89), C88(H88), C38(H38),
 C37(H37), C83(H83)
2.c Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C31(H31A,H31B,H31C), C16(H16A,H16B,H16C), C76(H76A,H76B,
 H76C)
;
_atom_sites_solution_hydrogens   geom
_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
Ag2 Ag 0.14610(2) 0.24411(2) 0.62930(2) 0.02053(6) Uani 1 1 d . . . . .
Ag3 Ag 0.36937(3) 0.24181(2) 0.69104(2) 0.02197(6) Uani 1 1 d . . . . .
Ag1 Ag -0.10497(3) 0.24208(2) 0.18835(2) 0.02331(6) Uani 1 1 d . . . . .
Ag4 Ag 0.67112(2) 0.24113(2) 1.12494(2) 0.02129(6) Uani 1 1 d . . . . .
Mo4 Mo 0.58345(3) 0.12859(2) 0.57538(2) 0.01548(6) Uani 1 1 d . . . . .
Mo6 Mo 0.01893(2) 0.13335(2) 0.77391(2) 0.01476(6) Uani 1 1 d . . . . .
Mo2 Mo 0.12265(3) 0.14543(2) 0.06891(2) 0.01667(6) Uani 1 1 d . . . . .
Mo3 Mo 0.55147(3) 0.28089(2) 0.54161(2) 0.01592(6) Uani 1 1 d . . . . .
Mo5 Mo -0.09221(3) 0.28391(2) 0.76540(2) 0.01521(6) Uani 1 1 d . . . . .
Mo8 Mo 0.53914(3) 0.16846(2) 1.28209(2) 0.01818(6) Uani 1 1 d . . . . .
Mo1 Mo 0.08171(3) 0.29921(2) 0.04279(2) 0.01718(6) Uani 1 1 d . . . . .
Mo7 Mo 0.41524(3) 0.31491(2) 1.24469(2) 0.01724(6) Uani 1 1 d . . . . .
As5 As -0.05672(4) 0.22212(2) 0.68969(2) 0.01638(8) Uani 1 1 d . . . . .
As6 As 0.13025(3) 0.22701(2) 0.73218(2) 0.01609(8) Uani 1 1 d . . . . .
As3 As 0.39089(3) 0.21661(2) 0.59490(2) 0.01655(8) Uani 1 1 d . . . . .
As4 As 0.58432(4) 0.21962(2) 0.63383(2) 0.01713(8) Uani 1 1 d . . . . .
As8 As 0.64271(3) 0.25250(2) 1.22211(2) 0.01619(8) Uani 1 1 d . . . . .
As2 As 0.11866(4) 0.23072(2) 0.13288(2) 0.01843(8) Uani 1 1 d . . . . .
As1 As -0.07302(3) 0.22790(2) 0.09278(2) 0.01730(8) Uani 1 1 d . . . . .
As7 As 0.46315(4) 0.22552(2) 1.18792(2) 0.01648(8) Uani 1 1 d . . . . .
P3 P 0.54875(9) 0.12578(5) 0.91680(4) 0.02246(19) Uani 1 1 d . . . . .
P4 P 0.36644(10) 0.48562(5) 1.38146(4) 0.0271(2) Uani 1 1 d . . . . .
P2 P 0.06353(10) 0.13373(5) 0.42432(4) 0.0254(2) Uani 1 1 d . . . . .
P1 P -0.07505(11) 0.46965(5) -0.12850(4) 0.0293(2) Uani 1 1 d . . . . .
F20 F 0.3658(3) 0.48599(14) 1.44145(9) 0.0412(6) Uani 1 1 d . . . . .
F15 F 0.4260(2) 0.11625(14) 0.89016(10) 0.0360(6) Uani 1 1 d . . . . .
F23 F 0.4302(3) 0.40741(14) 1.39113(10) 0.0452(7) Uani 1 1 d . . . . .
F7 F 0.1832(3) 0.12046(14) 0.46064(10) 0.0391(6) Uani 1 1 d . . . . .
F22 F 0.3670(3) 0.48606(15) 1.32138(10) 0.0453(7) Uani 1 1 d . . . . .
F17 F 0.5691(3) 0.04927(14) 0.94535(11) 0.0452(7) Uani 1 1 d . . . . .
F2 F -0.0904(3) 0.47230(15) -0.06856(10) 0.0440(7) Uani 1 1 d . . . . .
F18 F 0.5275(3) 0.20139(14) 0.88814(11) 0.0455(7) Uani 1 1 d . . . . .
F12 F 0.0910(3) 0.05520(15) 0.42322(12) 0.0462(7) Uani 1 1 d . . . . .
F5 F -0.0335(3) 0.54043(15) -0.13843(12) 0.0472(7) Uani 1 1 d . . . . .
O6 O 0.3530(3) 0.27741(17) 0.45981(10) 0.0318(7) Uani 1 1 d . . . . .
F16 F 0.6359(3) 0.10249(17) 0.87037(11) 0.0472(7) Uani 1 1 d . . . . .
O2 O -0.1089(3) 0.28824(16) -0.03966(11) 0.0325(7) Uani 1 1 d . . . . .
F14 F 0.4656(3) 0.14794(17) 0.96414(11) 0.0480(7) Uani 1 1 d . . . . .
F4 F -0.0605(4) 0.46786(17) -0.18810(11) 0.0537(8) Uani 1 1 d . . . . .
O3 O 0.1453(3) 0.05151(16) 0.17538(11) 0.0318(6) Uani 1 1 d . . . . .
O12 O 0.1585(3) 0.05000(16) 0.69324(11) 0.0367(7) Uani 1 1 d . . . . .
F8 F -0.0264(3) 0.12104(19) 0.47311(11) 0.0543(9) Uani 1 1 d . . . . .
F9 F -0.0532(3) 0.1454(2) 0.38723(12) 0.0611(10) Uani 1 1 d . . . . .
F1 F 0.0697(3) 0.43215(18) -0.12041(12) 0.0572(9) Uani 1 1 d . . . . .
O7 O 0.8618(3) 0.11343(17) 0.61080(13) 0.0369(7) Uani 1 1 d . . . . .
O9 O 0.0936(3) 0.28222(16) 0.85340(11) 0.0306(6) Uani 1 1 d . . . . .
F24 F 0.2992(4) 0.56373(15) 1.37196(11) 0.0556(9) Uani 1 1 d . . . . .
F13 F 0.6729(3) 0.13364(17) 0.94411(11) 0.0463(7) Uani 1 1 d . . . . .
F10 F 0.1535(3) 0.14467(19) 0.37555(11) 0.0528(8) Uani 1 1 d . . . . .
O11 O -0.2426(3) 0.11143(16) 0.74218(12) 0.0321(7) Uani 1 1 d . . . . .
O16 O 0.6996(4) 0.06204(17) 1.22225(14) 0.0427(8) Uani 1 1 d . . . . .
F6 F -0.1169(4) 0.39929(15) -0.11890(11) 0.0560(9) Uani 1 1 d . . . . .
F21 F 0.2297(3) 0.4675(2) 1.38629(13) 0.0574(9) Uani 1 1 d . . . . .
F3 F -0.2195(3) 0.50791(16) -0.13692(13) 0.0536(8) Uani 1 1 d . . . . .
O4 O 0.4080(3) 0.14585(18) 0.08423(13) 0.0381(7) Uani 1 1 d . . . . .
O5 O 0.3573(3) 0.39631(16) 0.58216(12) 0.0376(7) Uani 1 1 d . . . . .
O14 O 0.4762(4) 0.41140(16) 1.14592(14) 0.0438(9) Uani 1 1 d . . . . .
F19 F 0.5024(3) 0.5034(2) 1.37664(14) 0.0612(9) Uani 1 1 d . . . . .
O15 O 0.2910(3) 0.12249(17) 1.26117(13) 0.0381(7) Uani 1 1 d . . . . .
N6 N 0.3736(3) 0.32196(17) 0.73815(12) 0.0221(6) Uani 1 1 d . . . . .
O1 O -0.1317(3) 0.40864(18) 0.08133(14) 0.0397(8) Uani 1 1 d . . . . .
O8 O 0.5415(5) 0.03688(18) 0.67858(12) 0.0499(10) Uani 1 1 d . . . . .
N3 N 0.0638(3) 0.32477(17) 0.56246(11) 0.0206(6) Uani 1 1 d . . . . .
F11 F 0.0376(5) 0.21100(15) 0.42663(14) 0.0688(11) Uani 1 1 d . . . . .
N2 N -0.0976(3) 0.31149(17) 0.24363(11) 0.0213(6) Uani 1 1 d . . . . .
O10 O 0.0001(4) 0.40768(17) 0.70139(13) 0.0439(8) Uani 1 1 d . . . . .
N7 N 0.6213(3) 0.30425(16) 1.04597(11) 0.0200(6) Uani 1 1 d . . . . .
N1 N -0.0505(4) 0.1383(2) 0.25030(14) 0.0332(8) Uani 1 1 d . . . . .
C57 C 0.1719(4) 0.0644(2) 0.82817(13) 0.0229(8) Uani 1 1 d . . . . .
H57 H 0.253128 0.046472 0.815097 0.027 Uiso 1 1 calc R U . . .
N5 N 0.4374(4) 0.1439(2) 0.75894(14) 0.0340(8) Uani 1 1 d . . . . .
C32 C 0.4265(4) 0.3540(2) 0.56740(15) 0.0260(8) Uani 1 1 d . . . . .
O13 O 0.6061(3) 0.3652(2) 1.30705(16) 0.0521(10) Uani 1 1 d . . . . .
C71 C 0.5747(4) 0.3096(2) 0.95793(14) 0.0213(7) Uani 1 1 d . . . . .
H71 H 0.560423 0.286468 0.931790 0.026 Uiso 1 1 calc R U . . .
C72 C 0.5693(3) 0.37820(19) 0.94689(13) 0.0191(7) Uani 1 1 d . . . . .
C53 C -0.1473(4) 0.12207(19) 0.75211(14) 0.0216(7) Uani 1 1 d . . . . .
C33 C 0.4218(4) 0.2776(2) 0.49079(14) 0.0252(8) Uani 1 1 d . . . . .
N8 N 0.7076(4) 0.1307(2) 1.10106(15) 0.0337(8) Uani 1 1 d . . . . .
C2 C -0.0413(4) 0.2914(2) -0.00888(14) 0.0243(8) Uani 1 1 d . . . . .
C8 C 0.1330(4) 0.0880(2) 0.13744(14) 0.0234(8) Uani 1 1 d . . . . .
C60 C 0.4849(4) 0.0905(2) 0.77726(14) 0.0270(8) Uani 1 1 d . . . . .
C54 C 0.1052(4) 0.0825(2) 0.72122(14) 0.0227(8) Uani 1 1 d . . . . .
C18 C -0.0955(4) 0.4198(2) 0.26251(14) 0.0243(8) Uani 1 1 d . . . . .
H18 H -0.101249 0.466374 0.250336 0.029 Uiso 1 1 calc R U . . .
C56 C 0.1384(4) 0.1249(2) 0.84767(13) 0.0243(8) Uani 1 1 d . . . . .
H56 H 0.192492 0.154715 0.850072 0.029 Uiso 1 1 calc R U . . .
C40 C 0.5555(4) 0.0736(2) 0.64238(14) 0.0264(8) Uani 1 1 d . . . . .
C46 C 0.0294(4) 0.28250(19) 0.82072(14) 0.0228(8) Uani 1 1 d . . . . .
N4 N 0.1395(4) 0.1517(2) 0.58268(14) 0.0352(8) Uani 1 1 d . . . . .
C68 C 0.3920(4) 0.4471(2) 0.88959(14) 0.0225(7) Uani 1 1 d . . . . .
H68A H 0.345292 0.412403 0.905834 0.027 Uiso 1 1 calc R U . . .
H68B H 0.370114 0.484928 0.908597 0.027 Uiso 1 1 calc R U . . .
C84 C 0.3810(4) 0.1413(2) 1.26699(14) 0.0253(8) Uani 1 1 d . . . . .
C24 C -0.1511(4) 0.46427(19) 0.44016(14) 0.0240(8) Uani 1 1 d . . . . .
H24A H -0.110759 0.503227 0.429367 0.029 Uiso 1 1 calc R U . . .
H24B H -0.234695 0.480883 0.455581 0.029 Uiso 1 1 calc R U . . .
C21 C -0.0791(3) 0.2860(2) 0.29364(14) 0.0211(7) Uani 1 1 d . . . . .
H21 H -0.072319 0.239187 0.304748 0.025 Uiso 1 1 calc R U . . .
C73 C 0.5932(4) 0.4085(2) 0.98688(15) 0.0252(8) Uani 1 1 d . . . . .
H73 H 0.593456 0.455016 0.980971 0.030 Uiso 1 1 calc R U . . .
C75 C 0.6872(4) 0.0873(2) 1.08478(14) 0.0238(8) Uani 1 1 d . . . . .
C9 C 0.3030(4) 0.1485(2) 0.07927(14) 0.0235(8) Uani 1 1 d . . . . .
C70 C 0.6012(4) 0.2749(2) 1.00736(14) 0.0217(7) Uani 1 1 d . . . . .
H70 H 0.605304 0.227957 1.014017 0.026 Uiso 1 1 calc R U . . .
C44 C 0.4972(4) 0.0535(2) 0.54119(15) 0.0260(8) Uani 1 1 d . . . . .
H44 H 0.437001 0.031270 0.560263 0.031 Uiso 1 1 calc R U . . .
C10 C 0.1595(4) 0.0473(2) 0.03737(15) 0.0290(9) Uani 1 1 d . . . . .
H10 H 0.209417 0.007720 0.056371 0.035 Uiso 1 1 calc R U . . .
C67 C 0.3485(4) 0.4720(2) 0.83435(14) 0.0273(8) Uani 1 1 d . . . . .
H67A H 0.258168 0.495310 0.834726 0.033 Uiso 1 1 calc R U . . .
H67B H 0.397873 0.505463 0.818102 0.033 Uiso 1 1 calc R U . . .
C14 C 0.0259(4) 0.0692(2) 0.04094(14) 0.0244(8) Uani 1 1 d . . . . .
H14 H -0.029554 0.046820 0.062986 0.029 Uiso 1 1 calc R U . . .
C20 C -0.0694(4) 0.3249(2) 0.32927(13) 0.0237(8) Uani 1 1 d . . . . .
H20 H -0.057894 0.304827 0.364287 0.028 Uiso 1 1 calc R U . . .
C65 C 0.3567(4) 0.3523(2) 0.82135(14) 0.0276(8) Uani 1 1 d . . . . .
H65 H 0.349452 0.338392 0.857259 0.033 Uiso 1 1 calc R U . . .
C30 C 0.1361(4) 0.0993(2) 0.57621(14) 0.0263(8) Uani 1 1 d . . . . .
C48 C -0.2412(4) 0.3020(2) 0.82950(14) 0.0263(8) Uani 1 1 d . . . . .
H48 H -0.215202 0.295562 0.863989 0.032 Uiso 1 1 calc R U . . .
C66 C 0.3623(4) 0.3067(2) 0.78884(14) 0.0251(8) Uani 1 1 d . . . . .
H66 H 0.357834 0.261938 0.803522 0.030 Uiso 1 1 calc R U . . .
C61 C 0.5457(5) 0.0223(2) 0.79982(16) 0.0323(9) Uani 1 1 d . . . . .
H61A H 0.517964 -0.009423 0.782039 0.048 Uiso 1 1 calc R U . . .
H61B H 0.522020 0.013496 0.836097 0.048 Uiso 1 1 calc R U . . .
H61C H 0.638156 0.016887 0.796516 0.048 Uiso 1 1 calc R U . . .
C74 C 0.6167(4) 0.3706(2) 1.03523(14) 0.0257(8) Uani 1 1 d . . . . .
H74 H 0.630224 0.392576 1.062196 0.031 Uiso 1 1 calc R U . . .
C69 C 0.5352(4) 0.4176(2) 0.89392(13) 0.0226(8) Uani 1 1 d . . . . .
H69A H 0.561340 0.387823 0.868422 0.027 Uiso 1 1 calc R U . . .
H69B H 0.581998 0.454409 0.886202 0.027 Uiso 1 1 calc R U . . .
C22 C -0.0635(4) 0.4353(2) 0.35368(14) 0.0243(8) Uani 1 1 d . . . . .
H22A H -0.061531 0.481533 0.336299 0.029 Uiso 1 1 calc R U . . .
H22B H 0.017701 0.416375 0.371925 0.029 Uiso 1 1 calc R U . . .
C39 C 0.7588(4) 0.1222(2) 0.59829(14) 0.0236(8) Uani 1 1 d . . . . .
C81 C 0.2468(3) 0.2893(2) 1.29988(15) 0.0245(8) Uani 1 1 d . . . . .
H81 H 0.255117 0.249813 1.325114 0.029 Uiso 1 1 calc R U . . .
C85 C 0.6384(4) 0.1021(2) 1.24265(15) 0.0280(9) Uani 1 1 d . . . . .
C28 C -0.0682(4) 0.43143(19) 0.52955(14) 0.0216(7) Uani 1 1 d . . . . .
H28 H -0.112713 0.474087 0.535774 0.026 Uiso 1 1 calc R U . . .
C23 C -0.1737(4) 0.4373(2) 0.39240(14) 0.0234(8) Uani 1 1 d . . . . .
H23A H -0.251422 0.465664 0.375419 0.028 Uiso 1 1 calc R U . . .
H23B H -0.188951 0.391324 0.403001 0.028 Uiso 1 1 calc R U . . .
C63 C 0.3766(4) 0.4343(2) 0.74866(14) 0.0256(8) Uani 1 1 d . . . . .
H63 H 0.383820 0.478443 0.733210 0.031 Uiso 1 1 calc R U . . .
C1 C -0.0537(4) 0.3684(2) 0.06801(16) 0.0286(9) Uani 1 1 d . . . . .
C26 C -0.0001(4) 0.3529(2) 0.47460(14) 0.0251(8) Uani 1 1 d . . . . .
H26 H 0.003419 0.339833 0.442033 0.030 Uiso 1 1 calc R U . . .
C15 C 0.0128(4) 0.0924(2) 0.27358(14) 0.0248(8) Uani 1 1 d . . . . .
C17 C -0.1058(4) 0.3779(2) 0.22917(13) 0.0225(8) Uani 1 1 d . . . . .
H17 H -0.119510 0.396787 0.194046 0.027 Uiso 1 1 calc R U . . .
C29 C -0.0022(4) 0.3856(2) 0.56864(14) 0.0244(8) Uani 1 1 d . . . . .
H29 H -0.003571 0.397759 0.601449 0.029 Uiso 1 1 calc R U . . .
C78 C 0.4548(4) 0.3772(2) 1.18207(16) 0.0281(8) Uani 1 1 d . . . . .
C31 C 0.1301(5) 0.0326(2) 0.56833(16) 0.0322(9) Uani 1 1 d . . . . .
H31A H 0.094587 0.035595 0.534587 0.048 Uiso 1 1 calc R U . . .
H31B H 0.076028 0.013011 0.594849 0.048 Uiso 1 1 calc R U . . .
H31C H 0.215835 0.004303 0.570245 0.048 Uiso 1 1 calc R U . . .
C82 C 0.2081(3) 0.2965(2) 1.24874(15) 0.0241(8) Uani 1 1 d . . . . .
H82 H 0.186272 0.262428 1.233628 0.029 Uiso 1 1 calc R U . . .
C64 C 0.3617(4) 0.4186(2) 0.80138(14) 0.0230(8) Uani 1 1 d . . . . .
C16 C 0.0942(4) 0.0332(2) 0.30293(15) 0.0295(9) Uani 1 1 d . . . . .
H16A H 0.158893 0.012439 0.280223 0.044 Uiso 1 1 calc R U . . .
H16B H 0.042573 0.000983 0.318118 0.044 Uiso 1 1 calc R U . . .
H16C H 0.135701 0.046567 0.330141 0.044 Uiso 1 1 calc R U . . .
C27 C -0.0697(3) 0.41528(19) 0.48118(13) 0.0204(7) Uani 1 1 d . . . . .
C86 C 0.6549(4) 0.1893(2) 1.34835(14) 0.0301(9) Uani 1 1 d . . . . .
H86 H 0.710087 0.220044 1.342816 0.036 Uiso 1 1 calc R U . . .
C52 C -0.2510(4) 0.3624(2) 0.79342(16) 0.0287(9) Uani 1 1 d . . . . .
H52 H -0.233858 0.403360 0.799339 0.034 Uiso 1 1 calc R U . . .
C3 C 0.2128(4) 0.3731(2) 0.04426(16) 0.0269(8) Uani 1 1 d . . . . .
H3 H 0.200604 0.400917 0.069538 0.032 Uiso 1 1 calc R U . . .
C43 C 0.4689(4) 0.1144(2) 0.50627(14) 0.0250(8) Uani 1 1 d . . . . .
H43 H 0.386421 0.140398 0.497626 0.030 Uiso 1 1 calc R U . . .
C45 C 0.6320(4) 0.0311(2) 0.54299(16) 0.0302(9) Uani 1 1 d . . . . .
H45 H 0.677404 -0.008919 0.563134 0.036 Uiso 1 1 calc R U . . .
C62 C 0.3810(4) 0.3863(2) 0.71867(14) 0.0254(8) Uani 1 1 d . . . . .
H62 H 0.389508 0.398809 0.682678 0.030 Uiso 1 1 calc R U . . .
C59 C -0.0372(4) 0.0782(2) 0.85297(14) 0.0261(8) Uani 1 1 d . . . . .
H59 H -0.121127 0.071290 0.859453 0.031 Uiso 1 1 calc R U . . .
C58 C 0.0640(4) 0.03506(19) 0.83138(14) 0.0239(8) Uani 1 1 d . . . . .
H58 H 0.059938 -0.005884 0.821026 0.029 Uiso 1 1 calc R U . . .
C49 C -0.2764(4) 0.2532(2) 0.80596(15) 0.0257(8) Uani 1 1 d . . . . .
H49 H -0.279361 0.208547 0.821674 0.031 Uiso 1 1 calc R U . . .
C7 C 0.1529(4) 0.3887(2) -0.00439(17) 0.0302(9) Uani 1 1 d . . . . .
H7 H 0.094572 0.428968 -0.017444 0.036 Uiso 1 1 calc R U . . .
C11 C 0.2052(4) 0.0954(2) 0.00013(16) 0.0306(9) Uani 1 1 d . . . . .
H11 H 0.291359 0.093682 -0.010056 0.037 Uiso 1 1 calc R U . . .
C12 C 0.1010(4) 0.1460(2) -0.01899(14) 0.0286(9) Uani 1 1 d . . . . .
H12 H 0.104735 0.184265 -0.044372 0.034 Uiso 1 1 calc R U . . .
C50 C -0.3063(4) 0.2829(2) 0.75464(16) 0.0272(8) Uani 1 1 d . . . . .
H50 H -0.332225 0.261337 0.729627 0.033 Uiso 1 1 calc R U . . .
C13 C -0.0110(4) 0.1302(2) 0.00608(14) 0.0264(8) Uani 1 1 d . . . . .
H13 H -0.095095 0.155821 0.000466 0.032 Uiso 1 1 calc R U . . .
C5 C 0.2831(4) 0.2846(2) 0.00229(15) 0.0268(8) Uani 1 1 d . . . . .
H5 H 0.327039 0.242763 -0.005639 0.032 Uiso 1 1 calc R U . . .
C35 C 0.6851(4) 0.3541(2) 0.53694(17) 0.0312(9) Uani 1 1 d . . . . .
H35 H 0.671643 0.386141 0.559035 0.037 Uiso 1 1 calc R U . . .
C41 C 0.6852(4) 0.0787(2) 0.50967(16) 0.0327(9) Uani 1 1 d . . . . .
H41 H 0.773341 0.076881 0.503764 0.039 Uiso 1 1 calc R U . . .
C80 C 0.2711(4) 0.3515(2) 1.30675(17) 0.0300(9) Uani 1 1 d . . . . .
H80 H 0.299336 0.360845 1.337383 0.036 Uiso 1 1 calc R U . . .
C90 C 0.5230(4) 0.2044(3) 1.36200(14) 0.0355(10) Uani 1 1 d . . . . .
H90 H 0.474938 0.246933 1.366904 0.043 Uiso 1 1 calc R U . . .
C51 C -0.2913(4) 0.3498(2) 0.74673(15) 0.0290(9) Uani 1 1 d . . . . .
H51 H -0.305636 0.381119 0.715607 0.035 Uiso 1 1 calc R U . . .
C19 C -0.0765(4) 0.3934(2) 0.31435(14) 0.0214(7) Uani 1 1 d . . . . .
C42 C 0.5852(4) 0.1299(2) 0.48629(14) 0.0271(8) Uani 1 1 d . . . . .
H42 H 0.594558 0.167894 0.461575 0.033 Uiso 1 1 calc R U . . .
C25 C 0.0648(4) 0.3092(2) 0.51559(14) 0.0240(8) Uani 1 1 d . . . . .
H25 H 0.111629 0.266594 0.510189 0.029 Uiso 1 1 calc R U . . .
C55 C 0.0085(4) 0.1328(2) 0.86302(13) 0.0246(8) Uani 1 1 d . . . . .
H55 H -0.039271 0.169066 0.877666 0.030 Uiso 1 1 calc R U . . .
C76 C 0.6626(5) 0.0321(2) 1.06370(17) 0.0364(10) Uani 1 1 d . . . . .
H76A H 0.642467 0.047072 1.027330 0.055 Uiso 1 1 calc R U . . .
H76B H 0.590555 0.016263 1.081890 0.055 Uiso 1 1 calc R U . . .
H76C H 0.737941 -0.004507 1.067530 0.055 Uiso 1 1 calc R U . . .
C4 C 0.2940(4) 0.3087(2) 0.04814(15) 0.0255(8) Uani 1 1 d . . . . .
H4 H 0.346217 0.285795 0.076380 0.031 Uiso 1 1 calc R U . . .
C47 C -0.0310(4) 0.3621(2) 0.72451(15) 0.0264(8) Uani 1 1 d . . . . .
C36 C 0.6301(4) 0.3628(2) 0.48860(16) 0.0304(9) Uani 1 1 d . . . . .
H36 H 0.573602 0.401917 0.472175 0.037 Uiso 1 1 calc R U . . .
C6 C 0.1955(4) 0.3339(2) -0.02956(15) 0.0300(9) Uani 1 1 d . . . . .
H6 H 0.169703 0.330581 -0.062454 0.036 Uiso 1 1 calc R U . . .
C79 C 0.2459(4) 0.3975(2) 1.26009(18) 0.0317(9) Uani 1 1 d . . . . .
H79 H 0.253392 0.443122 1.253969 0.038 Uiso 1 1 calc R U . . .
C34 C 0.7641(4) 0.2889(2) 0.54691(16) 0.0300(9) Uani 1 1 d . . . . .
H34 H 0.813168 0.269590 0.576712 0.036 Uiso 1 1 calc R U . . .
C87 C 0.6882(4) 0.1209(3) 1.34460(15) 0.0357(11) Uani 1 1 d . . . . .
H87 H 0.769694 0.097393 1.335725 0.043 Uiso 1 1 calc R U . . .
C77 C 0.5391(4) 0.3461(2) 1.28431(17) 0.0314(9) Uani 1 1 d . . . . .
C89 C 0.4771(4) 0.1450(3) 1.36687(15) 0.0377(11) Uani 1 1 d . . . . .
H89 H 0.392512 0.140562 1.375685 0.045 Uiso 1 1 calc R U . . .
C88 C 0.5779(5) 0.0930(3) 1.35645(17) 0.0398(12) Uani 1 1 d . . . . .
H88 H 0.573361 0.047612 1.357193 0.048 Uiso 1 1 calc R U . . .
C38 C 0.7563(4) 0.2581(2) 0.50443(17) 0.0327(9) Uani 1 1 d . . . . .
H38 H 0.799707 0.214200 0.500636 0.039 Uiso 1 1 calc R U . . .
C37 C 0.6739(4) 0.3030(2) 0.46884(16) 0.0334(10) Uani 1 1 d . . . . .
H37 H 0.651231 0.294757 0.436902 0.040 Uiso 1 1 calc R U . . .
C83 C 0.2074(4) 0.3628(2) 1.22401(16) 0.0298(9) Uani 1 1 d . . . . .
H83 H 0.185177 0.381100 1.189417 0.036 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
Ag2 Ag3 2.9690(4) . ?
Ag2 As5 2.7177(4) . ?
Ag2 As6 2.6953(4) . ?
Ag2 As3 2.7257(5) . ?
Ag2 N3 2.274(3) . ?
Ag2 N4 2.482(4) . ?
Ag3 As6 2.8073(4) . ?
Ag3 As3 2.6912(5) . ?
Ag3 As4 2.7096(5) . ?
Ag3 N6 2.267(3) . ?
Ag3 N5 2.463(4) . ?
Ag1 Ag4 3.0197(4) 1_454 ?
Ag1 As8 2.7983(5) 1_454 ?
Ag1 As2 2.7522(5) . ?
Ag1 As1 2.6092(4) . ?
Ag1 N2 2.254(3) . ?
Ag1 N1 2.438(4) . ?
Ag4 As8 2.6345(4) . ?
Ag4 As1 2.8185(5) 1_656 ?
Ag4 As7 2.7715(5) . ?
Ag4 N7 2.283(3) . ?
Ag4 N8 2.433(4) . ?
Mo4 Mo3 3.0704(4) . ?
Mo4 As3 2.5518(5) . ?
Mo4 As4 2.6589(5) . ?
Mo4 C40 1.979(4) . ?
Mo4 C44 2.313(4) . ?
Mo4 C39 1.985(4) . ?
Mo4 C43 2.362(4) . ?
Mo4 C45 2.290(4) . ?
Mo4 C41 2.304(4) . ?
Mo4 C42 2.364(4) . ?
Mo6 Mo5 3.0644(4) . ?
Mo6 As5 2.6632(4) . ?
Mo6 As6 2.5569(4) . ?
Mo6 C57 2.304(3) . ?
Mo6 C53 1.985(4) . ?
Mo6 C54 1.982(4) . ?
Mo6 C56 2.359(3) . ?
Mo6 C59 2.321(4) . ?
Mo6 C58 2.287(3) . ?
Mo6 C55 2.365(4) . ?
Mo2 Mo1 3.0763(4) . ?
Mo2 As2 2.6629(5) . ?
Mo2 As1 2.5461(5) . ?
Mo2 C8 1.980(4) . ?
Mo2 C9 1.994(4) . ?
Mo2 C10 2.291(4) . ?
Mo2 C14 2.317(4) . ?
Mo2 C11 2.312(4) . ?
Mo2 C12 2.359(4) . ?
Mo2 C13 2.367(4) . ?
Mo3 As3 2.6172(4) . ?
Mo3 As4 2.5503(4) . ?
Mo3 C32 1.998(4) . ?
Mo3 C33 2.013(4) . ?
Mo3 C35 2.293(4) . ?
Mo3 C36 2.285(4) . ?
Mo3 C34 2.348(4) . ?
Mo3 C38 2.362(4) . ?
Mo3 C37 2.320(4) . ?
Mo5 As5 2.5498(5) . ?
Mo5 As6 2.6216(5) . ?
Mo5 C46 2.012(4) . ?
Mo5 C48 2.308(4) . ?
Mo5 C52 2.290(4) . ?
Mo5 C49 2.366(4) . ?
Mo5 C50 2.346(4) . ?
Mo5 C51 2.305(4) . ?
Mo5 C47 1.999(4) . ?
Mo8 Mo7 3.0448(4) . ?
Mo8 As8 2.5453(4) . ?
Mo8 As7 2.6536(4) . ?
Mo8 C84 1.989(4) . ?
Mo8 C85 1.979(4) . ?
Mo8 C86 2.364(4) . ?
Mo8 C90 2.364(4) . ?
Mo8 C87 2.302(4) . ?
Mo8 C89 2.314(4) . ?
Mo8 C88 2.281(4) . ?
Mo1 As2 2.5533(4) . ?
Mo1 As1 2.6209(5) . ?
Mo1 C2 2.008(4) . ?
Mo1 C1 1.997(5) . ?
Mo1 C3 2.307(4) . ?
Mo1 C7 2.298(4) . ?
Mo1 C5 2.360(4) . ?
Mo1 C4 2.354(4) . ?
Mo1 C6 2.316(4) . ?
Mo7 As8 2.6108(5) . ?
Mo7 As7 2.5534(5) . ?
Mo7 C81 2.367(4) . ?
Mo7 C78 2.001(4) . ?
Mo7 C82 2.341(4) . ?
Mo7 C80 2.326(4) . ?
Mo7 C79 2.295(4) . ?
Mo7 C77 2.021(4) . ?
Mo7 C83 2.296(4) . ?
As5 As6 2.3902(5) . ?
As3 As4 2.3928(5) . ?
As8 As7 2.3927(5) . ?
As2 As1 2.3899(5) . ?
P3 F15 1.598(3) . ?
P3 F17 1.602(3) . ?
P3 F18 1.587(3) . ?
P3 F16 1.596(3) . ?
P3 F14 1.588(3) . ?
P3 F13 1.607(3) . ?
P4 F20 1.597(3) . ?
P4 F23 1.598(3) . ?
P4 F22 1.596(3) . ?
P4 F24 1.604(3) . ?
P4 F21 1.593(3) . ?
P4 F19 1.581(3) . ?
P2 F7 1.596(3) . ?
P2 F12 1.597(3) . ?
P2 F8 1.598(3) . ?
P2 F9 1.588(3) . ?
P2 F10 1.592(3) . ?
P2 F11 1.579(3) . ?
P1 F2 1.604(3) . ?
P1 F5 1.600(3) . ?
P1 F4 1.591(3) . ?
P1 F1 1.592(3) . ?
P1 F6 1.593(3) . ?
P1 F3 1.594(3) . ?
O6 C33 1.138(5) . ?
O2 C2 1.143(5) . ?
O3 C8 1.139(5) . ?
O12 C54 1.145(5) . ?
O7 C39 1.143(5) . ?
O9 C46 1.136(5) . ?
O11 C53 1.151(5) . ?
O16 C85 1.146(6) . ?
O4 C9 1.136(5) . ?
O5 C32 1.137(5) . ?
O14 C78 1.131(5) . ?
O15 C84 1.149(5) . ?
N6 C66 1.332(5) . ?
N6 C62 1.359(5) . ?
O1 C1 1.143(6) . ?
O8 C40 1.138(5) . ?
N3 C29 1.342(6) . ?
N3 C25 1.343(5) . ?
N2 C21 1.346(5) . ?
N2 C17 1.345(5) . ?
O10 C47 1.135(5) . ?
N7 C70 1.334(5) . ?
N7 C74 1.345(6) . ?
N1 C15 1.141(6) . ?
C57 H57 0.9500 . ?
C57 C56 1.413(6) . ?
C57 C58 1.419(6) . ?
N5 C60 1.143(6) . ?
O13 C77 1.140(6) . ?
C71 H71 0.9500 . ?
C71 C72 1.389(6) . ?
C71 C70 1.389(5) . ?
C72 C73 1.391(6) . ?
C72 C69 1.512(5) . ?
N8 C75 1.135(6) . ?
C60 C61 1.456(6) . ?
C18 H18 0.9500 . ?
C18 C17 1.375(6) . ?
C18 C19 1.395(5) . ?
C56 H56 0.9500 . ?
C56 C55 1.422(6) . ?
N4 C30 1.140(6) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C67 1.526(5) . ?
C68 C69 1.535(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.529(5) . ?
C24 C27 1.515(5) . ?
C21 H21 0.9500 . ?
C21 C20 1.373(6) . ?
C73 H73 0.9500 . ?
C73 C74 1.382(5) . ?
C75 C76 1.441(6) . ?
C70 H70 0.9500 . ?
C44 H44 0.9500 . ?
C44 C43 1.407(6) . ?
C44 C45 1.428(6) . ?
C10 H10 0.9500 . ?
C10 C14 1.419(6) . ?
C10 C11 1.422(6) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C64 1.514(6) . ?
C14 H14 0.9500 . ?
C14 C13 1.416(6) . ?
C20 H20 0.9500 . ?
C20 C19 1.391(6) . ?
C65 H65 0.9500 . ?
C65 C66 1.384(6) . ?
C65 C64 1.391(6) . ?
C30 C31 1.452(7) . ?
C48 H48 0.9500 . ?
C48 C52 1.418(6) . ?
C48 C49 1.409(6) . ?
C66 H66 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C74 H74 0.9500 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.532(5) . ?
C22 C19 1.506(6) . ?
C81 H81 0.9500 . ?
C81 C82 1.415(6) . ?
C81 C80 1.416(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.382(5) . ?
C28 C27 1.389(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C63 H63 0.9500 . ?
C63 C64 1.389(5) . ?
C63 C62 1.377(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(6) . ?
C26 C25 1.392(5) . ?
C15 C16 1.462(6) . ?
C17 H17 0.9500 . ?
C29 H29 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C82 H82 0.9500 . ?
C82 C83 1.410(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C86 H86 0.9500 . ?
C86 C90 1.432(6) . ?
C86 C87 1.408(7) . ?
C52 H52 0.9500 . ?
C52 C51 1.422(6) . ?
C3 H3 0.9500 . ?
C3 C7 1.427(6) . ?
C3 C4 1.419(6) . ?
C43 H43 0.9500 . ?
C43 C42 1.416(6) . ?
C45 H45 0.9500 . ?
C45 C41 1.401(7) . ?
C62 H62 0.9500 . ?
C59 H59 0.9500 . ?
C59 C58 1.423(6) . ?
C59 C55 1.401(6) . ?
C58 H58 0.9500 . ?
C49 H49 0.9500 . ?
C49 C50 1.413(6) . ?
C7 H7 0.9500 . ?
C7 C6 1.404(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.404(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.422(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.409(7) . ?
C13 H13 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.419(6) . ?
C5 C6 1.414(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.408(6) . ?
C35 C34 1.420(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.416(7) . ?
C80 H80 0.9500 . ?
C80 C79 1.418(7) . ?
C90 H90 0.9500 . ?
C90 C89 1.408(8) . ?
C51 H51 0.9500 . ?
C42 H42 0.9500 . ?
C25 H25 0.9500 . ?
C55 H55 0.9500 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C4 H4 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.414(7) . ?
C6 H6 0.9500 . ?
C79 H79 0.9500 . ?
C79 C83 1.427(7) . ?
C34 H34 0.9500 . ?
C34 C38 1.411(7) . ?
C87 H87 0.9500 . ?
C87 C88 1.429(6) . ?
C89 H89 0.9500 . ?
C89 C88 1.412(8) . ?
C88 H88 0.9500 . ?
C38 H38 0.9500 . ?
C38 C37 1.399(7) . ?
C37 H37 0.9500 . ?
C83 H83 0.9500 . ?

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
As5 Ag2 Ag3 111.542(12) . . ?
As5 Ag2 As3 155.758(15) . . ?
As6 Ag2 Ag3 59.186(11) . . ?
As6 Ag2 As5 52.407(11) . . ?
As6 Ag2 As3 112.330(14) . . ?
As3 Ag2 Ag3 56.207(11) . . ?
N3 Ag2 Ag3 126.56(8) . . ?
N3 Ag2 As5 105.17(8) . . ?
N3 Ag2 As6 136.56(8) . . ?
N3 Ag2 As3 98.30(8) . . ?
N3 Ag2 N4 92.96(13) . . ?
N4 Ag2 Ag3 121.41(10) . . ?
N4 Ag2 As5 93.18(9) . . ?
N4 Ag2 As6 121.59(9) . . ?
N4 Ag2 As3 79.43(10) . . ?
As6 Ag3 Ag2 55.544(10) . . ?
As3 Ag3 Ag2 57.323(11) . . ?
As3 Ag3 As6 109.941(14) . . ?
As3 Ag3 As4 52.595(12) . . ?
As4 Ag3 Ag2 109.798(12) . . ?
As4 Ag3 As6 158.611(16) . . ?
N6 Ag3 Ag2 122.33(8) . . ?
N6 Ag3 As6 90.77(8) . . ?
N6 Ag3 As3 143.04(8) . . ?
N6 Ag3 As4 110.61(8) . . ?
N6 Ag3 N5 97.23(13) . . ?
N5 Ag3 Ag2 117.80(10) . . ?
N5 Ag3 As6 80.91(9) . . ?
N5 Ag3 As3 115.60(10) . . ?
N5 Ag3 As4 95.48(9) . . ?
As8 Ag1 Ag4 53.684(10) 1_454 1_454 ?
As2 Ag1 Ag4 112.398(12) . 1_454 ?
As2 Ag1 As8 166.080(15) . 1_454 ?
As1 Ag1 Ag4 59.563(11) . 1_454 ?
As1 Ag1 As8 113.234(15) . 1_454 ?
As1 Ag1 As2 52.861(12) . . ?
N2 Ag1 Ag4 126.93(8) . 1_454 ?
N2 Ag1 As8 83.92(8) . 1_454 ?
N2 Ag1 As2 107.35(8) . . ?
N2 Ag1 As1 144.14(8) . . ?
N2 Ag1 N1 96.08(12) . . ?
N1 Ag1 Ag4 110.82(10) . 1_454 ?
N1 Ag1 As8 88.09(9) . 1_454 ?
N1 Ag1 As2 98.54(9) . . ?
N1 Ag1 As1 114.93(9) . . ?
As8 Ag4 Ag1 58.858(11) . 1_656 ?
As8 Ag4 As1 111.800(14) . 1_656 ?
As8 Ag4 As7 52.465(12) . . ?
As1 Ag4 Ag1 52.955(10) 1_656 1_656 ?
As7 Ag4 Ag1 109.981(12) . 1_656 ?
As7 Ag4 As1 159.152(14) . 1_656 ?
N7 Ag4 Ag1 125.79(8) . 1_656 ?
N7 Ag4 As8 139.51(9) . . ?
N7 Ag4 As1 86.42(8) . 1_656 ?
N7 Ag4 As7 114.42(8) . . ?
N7 Ag4 N8 98.21(13) . . ?
N8 Ag4 Ag1 106.76(9) . 1_656 ?
N8 Ag4 As8 119.77(9) . . ?
N8 Ag4 As1 80.34(9) . 1_656 ?
N8 Ag4 As7 95.79(9) . . ?
As3 Mo4 Mo3 54.546(11) . . ?
As3 Mo4 As4 54.624(13) . . ?
As4 Mo4 Mo3 52.264(11) . . ?
C40 Mo4 Mo3 131.42(12) . . ?
C40 Mo4 As3 88.24(13) . . ?
C40 Mo4 As4 81.76(12) . . ?
C40 Mo4 C44 85.21(16) . . ?
C40 Mo4 C39 87.13(17) . . ?
C40 Mo4 C43 115.80(16) . . ?
C40 Mo4 C45 87.49(16) . . ?
C40 Mo4 C41 120.48(17) . . ?
C40 Mo4 C42 142.70(16) . . ?
C44 Mo4 Mo3 129.50(10) . . ?
C44 Mo4 As3 104.04(11) . . ?
C44 Mo4 As4 155.12(11) . . ?
C44 Mo4 C43 35.01(14) . . ?
C44 Mo4 C42 58.40(14) . . ?
C39 Mo4 Mo3 90.30(12) . . ?
C39 Mo4 As3 124.46(12) . . ?
C39 Mo4 As4 69.95(11) . . ?
C39 Mo4 C44 130.56(16) . . ?
C39 Mo4 C43 142.17(15) . . ?
C39 Mo4 C45 94.83(16) . . ?
C39 Mo4 C41 83.91(16) . . ?
C39 Mo4 C42 109.47(16) . . ?
C43 Mo4 Mo3 94.84(10) . . ?
C43 Mo4 As3 87.80(10) . . ?
C43 Mo4 As4 139.18(10) . . ?
C43 Mo4 C42 34.88(15) . . ?
C45 Mo4 Mo3 141.00(11) . . ?
C45 Mo4 As3 140.17(12) . . ?
C45 Mo4 As4 161.67(11) . . ?
C45 Mo4 C44 36.13(16) . . ?
C45 Mo4 C43 59.10(14) . . ?
C45 Mo4 C41 35.51(17) . . ?
C45 Mo4 C42 58.79(14) . . ?
C41 Mo4 Mo3 107.39(12) . . ?
C41 Mo4 As3 142.26(12) . . ?
C41 Mo4 As4 145.21(12) . . ?
C41 Mo4 C44 59.28(16) . . ?
C41 Mo4 C43 58.78(15) . . ?
C41 Mo4 C42 35.29(16) . . ?
C42 Mo4 Mo3 83.06(11) . . ?
C42 Mo4 As3 107.07(11) . . ?
C42 Mo4 As4 134.93(10) . . ?
As5 Mo6 Mo5 52.301(11) . . ?
As6 Mo6 Mo5 54.700(11) . . ?
As6 Mo6 As5 54.456(12) . . ?
C57 Mo6 Mo5 129.60(10) . . ?
C57 Mo6 As5 153.04(10) . . ?
C57 Mo6 As6 102.50(10) . . ?
C57 Mo6 C56 35.25(15) . . ?
C57 Mo6 C59 59.36(14) . . ?
C57 Mo6 C55 58.53(14) . . ?
C53 Mo6 Mo5 88.80(11) . . ?
C53 Mo6 As5 70.32(10) . . ?
C53 Mo6 As6 124.50(10) . . ?
C53 Mo6 C57 132.26(14) . . ?
C53 Mo6 C56 141.83(15) . . ?
C53 Mo6 C59 84.16(15) . . ?
C53 Mo6 C58 96.46(14) . . ?
C53 Mo6 C55 108.25(15) . . ?
C54 Mo6 Mo5 129.66(10) . . ?
C54 Mo6 As5 80.11(10) . . ?
C54 Mo6 As6 86.42(11) . . ?
C54 Mo6 C57 85.03(14) . . ?
C54 Mo6 C53 89.61(16) . . ?
C54 Mo6 C56 115.71(15) . . ?
C54 Mo6 C59 120.97(15) . . ?
C54 Mo6 C58 87.40(15) . . ?
C54 Mo6 C55 142.67(14) . . ?
C56 Mo6 Mo5 94.90(10) . . ?
C56 Mo6 As5 138.57(10) . . ?
C56 Mo6 As6 87.07(10) . . ?
C56 Mo6 C55 35.04(14) . . ?
C59 Mo6 Mo5 108.88(11) . . ?
C59 Mo6 As5 147.27(10) . . ?
C59 Mo6 As6 142.26(11) . . ?
C59 Mo6 C56 58.68(14) . . ?
C59 Mo6 C55 34.77(15) . . ?
C58 Mo6 Mo5 142.70(10) . . ?
C58 Mo6 As5 161.70(11) . . ?
C58 Mo6 As6 138.46(10) . . ?
C58 Mo6 C57 36.01(14) . . ?
C58 Mo6 C56 59.29(14) . . ?
C58 Mo6 C59 35.96(15) . . ?
C58 Mo6 C55 58.85(14) . . ?
C55 Mo6 Mo5 84.40(10) . . ?
C55 Mo6 As5 136.37(10) . . ?
C55 Mo6 As6 107.72(10) . . ?
As2 Mo2 Mo1 52.228(11) . . ?
As1 Mo2 Mo1 54.588(11) . . ?
As1 Mo2 As2 54.563(13) . . ?
C8 Mo2 Mo1 128.04(12) . . ?
C8 Mo2 As2 76.12(12) . . ?
C8 Mo2 As1 93.26(12) . . ?
C8 Mo2 C9 85.91(16) . . ?
C8 Mo2 C10 85.89(16) . . ?
C8 Mo2 C14 87.76(15) . . ?
C8 Mo2 C11 117.71(17) . . ?
C8 Mo2 C12 143.60(16) . . ?
C8 Mo2 C13 120.02(15) . . ?
C9 Mo2 Mo1 84.66(12) . . ?
C9 Mo2 As2 73.40(11) . . ?
C9 Mo2 As1 126.25(12) . . ?
C9 Mo2 C10 97.91(16) . . ?
C9 Mo2 C14 133.71(15) . . ?
C9 Mo2 C11 83.82(16) . . ?
C9 Mo2 C12 106.72(16) . . ?
C9 Mo2 C13 140.76(15) . . ?
C10 Mo2 Mo1 146.03(11) . . ?
C10 Mo2 As2 160.40(11) . . ?
C10 Mo2 As1 135.70(11) . . ?
C10 Mo2 C14 35.86(15) . . ?
C10 Mo2 C11 35.98(16) . . ?
C10 Mo2 C12 59.00(15) . . ?
C10 Mo2 C13 59.15(15) . . ?
C14 Mo2 Mo1 132.53(10) . . ?
C14 Mo2 As2 147.90(10) . . ?
C14 Mo2 As1 99.85(10) . . ?
C14 Mo2 C12 58.58(14) . . ?
C14 Mo2 C13 35.18(14) . . ?
C11 Mo2 Mo1 111.83(12) . . ?
C11 Mo2 As2 152.71(11) . . ?
C11 Mo2 As1 139.59(12) . . ?
C11 Mo2 C14 59.30(14) . . ?
C11 Mo2 C12 34.97(17) . . ?
C11 Mo2 C13 58.67(15) . . ?
C12 Mo2 Mo1 87.69(11) . . ?
C12 Mo2 As2 139.92(11) . . ?
C12 Mo2 As1 105.02(12) . . ?
C12 Mo2 C13 35.03(15) . . ?
C13 Mo2 Mo1 98.12(10) . . ?
C13 Mo2 As2 137.54(11) . . ?
C13 Mo2 As1 84.09(11) . . ?
As3 Mo3 Mo4 52.583(11) . . ?
As4 Mo3 Mo4 55.539(12) . . ?
As4 Mo3 As3 55.148(13) . . ?
C32 Mo3 Mo4 128.30(11) . . ?
C32 Mo3 As3 77.01(12) . . ?
C32 Mo3 As4 88.50(11) . . ?
C32 Mo3 C33 88.93(17) . . ?
C32 Mo3 C35 83.49(17) . . ?
C32 Mo3 C36 87.54(17) . . ?
C32 Mo3 C34 114.01(17) . . ?
C32 Mo3 C38 141.65(17) . . ?
C32 Mo3 C37 121.42(17) . . ?
C33 Mo3 Mo4 88.54(11) . . ?
C33 Mo3 As3 75.05(11) . . ?
C33 Mo3 As4 129.35(11) . . ?
C33 Mo3 C35 128.85(16) . . ?
C33 Mo3 C36 93.56(15) . . ?
C33 Mo3 C34 141.55(15) . . ?
C33 Mo3 C38 109.16(17) . . ?
C33 Mo3 C37 83.41(16) . . ?
C35 Mo3 Mo4 134.11(12) . . ?
C35 Mo3 As3 149.03(11) . . ?
C35 Mo3 As4 101.02(11) . . ?
C35 Mo3 C34 35.60(17) . . ?
C35 Mo3 C38 58.66(16) . . ?
C35 Mo3 C37 59.24(16) . . ?
C36 Mo3 Mo4 144.15(12) . . ?
C36 Mo3 As3 160.80(11) . . ?
C36 Mo3 As4 136.81(11) . . ?
C36 Mo3 C35 35.82(16) . . ?
C36 Mo3 C34 59.18(15) . . ?
C36 Mo3 C38 58.68(16) . . ?
C36 Mo3 C37 35.75(17) . . ?
C34 Mo3 Mo4 98.90(11) . . ?
C34 Mo3 As3 137.92(10) . . ?
C34 Mo3 As4 83.74(10) . . ?
C34 Mo3 C38 34.85(16) . . ?
C38 Mo3 Mo4 86.86(11) . . ?
C38 Mo3 As3 139.42(11) . . ?
C38 Mo3 As4 103.58(12) . . ?
C37 Mo3 Mo4 109.52(13) . . ?
C37 Mo3 As3 151.62(11) . . ?
C37 Mo3 As4 138.13(13) . . ?
C37 Mo3 C34 58.49(15) . . ?
C37 Mo3 C38 34.74(17) . . ?
As5 Mo5 Mo6 55.731(11) . . ?
As5 Mo5 As6 55.037(13) . . ?
As6 Mo5 Mo6 52.750(11) . . ?
C46 Mo5 Mo6 86.66(11) . . ?
C46 Mo5 As5 129.01(11) . . ?
C46 Mo5 As6 75.32(11) . . ?
C46 Mo5 C48 82.69(15) . . ?
C46 Mo5 C52 94.56(16) . . ?
C46 Mo5 C49 107.40(14) . . ?
C46 Mo5 C50 140.36(15) . . ?
C46 Mo5 C51 130.39(16) . . ?
C48 Mo5 Mo6 109.87(11) . . ?
C48 Mo5 As5 138.31(11) . . ?
C48 Mo5 As6 152.20(10) . . ?
C48 Mo5 C49 35.07(16) . . ?
C48 Mo5 C50 58.44(14) . . ?
C52 Mo5 Mo6 144.58(11) . . ?
C52 Mo5 As5 136.28(11) . . ?
C52 Mo5 As6 160.60(12) . . ?
C52 Mo5 C48 35.92(15) . . ?
C52 Mo5 C49 59.25(15) . . ?
C52 Mo5 C50 59.23(15) . . ?
C52 Mo5 C51 36.04(16) . . ?
C49 Mo5 Mo6 86.57(10) . . ?
C49 Mo5 As5 103.53(11) . . ?
C49 Mo5 As6 139.29(11) . . ?
C50 Mo5 Mo6 98.70(11) . . ?
C50 Mo5 As5 83.64(10) . . ?
C50 Mo5 As6 137.70(10) . . ?
C50 Mo5 C49 34.89(14) . . ?
C51 Mo5 Mo6 133.49(12) . . ?
C51 Mo5 As5 100.25(11) . . ?
C51 Mo5 As6 148.38(10) . . ?
C51 Mo5 C48 59.29(14) . . ?
C51 Mo5 C49 58.77(14) . . ?
C51 Mo5 C50 35.26(16) . . ?
C47 Mo5 Mo6 129.73(12) . . ?
C47 Mo5 As5 91.32(12) . . ?
C47 Mo5 As6 77.68(12) . . ?
C47 Mo5 C46 88.62(16) . . ?
C47 Mo5 C48 119.06(16) . . ?
C47 Mo5 C52 85.68(16) . . ?
C47 Mo5 C49 141.81(16) . . ?
C47 Mo5 C50 115.62(16) . . ?
C47 Mo5 C51 84.26(17) . . ?
As8 Mo8 Mo7 54.808(11) . . ?
As8 Mo8 As7 54.756(12) . . ?
As7 Mo8 Mo7 52.701(11) . . ?
C84 Mo8 Mo7 90.06(11) . . ?
C84 Mo8 As8 124.67(10) . . ?
C84 Mo8 As7 70.07(10) . . ?
C84 Mo8 C86 143.60(15) . . ?
C84 Mo8 C90 110.98(16) . . ?
C84 Mo8 C87 130.23(16) . . ?
C84 Mo8 C89 85.05(16) . . ?
C84 Mo8 C88 94.58(16) . . ?
C85 Mo8 Mo7 128.86(11) . . ?
C85 Mo8 As8 84.72(12) . . ?
C85 Mo8 As7 79.55(11) . . ?
C85 Mo8 C84 89.59(18) . . ?
C85 Mo8 C86 113.68(17) . . ?
C85 Mo8 C90 143.72(17) . . ?
C85 Mo8 C87 84.96(18) . . ?
C85 Mo8 C89 125.23(18) . . ?
C85 Mo8 C88 90.94(19) . . ?
C86 Mo8 Mo7 95.46(11) . . ?
C86 Mo8 As8 86.64(10) . . ?
C86 Mo8 As7 138.88(11) . . ?
C86 Mo8 C90 35.26(15) . . ?
C90 Mo8 Mo7 82.28(12) . . ?
C90 Mo8 As8 105.18(12) . . ?
C90 Mo8 As7 134.81(12) . . ?
C87 Mo8 Mo7 130.35(14) . . ?
C87 Mo8 As8 104.05(11) . . ?
C87 Mo8 As7 154.56(11) . . ?
C87 Mo8 C86 35.09(18) . . ?
C87 Mo8 C90 58.85(17) . . ?
C87 Mo8 C89 59.60(15) . . ?
C89 Mo8 Mo7 105.66(14) . . ?
C89 Mo8 As8 140.14(14) . . ?
C89 Mo8 As7 145.40(11) . . ?
C89 Mo8 C86 58.79(15) . . ?
C89 Mo8 C90 35.00(19) . . ?
C88 Mo8 Mo7 140.00(15) . . ?
C88 Mo8 As8 140.37(12) . . ?
C88 Mo8 As7 161.78(14) . . ?
C88 Mo8 C86 59.26(17) . . ?
C88 Mo8 C90 58.99(19) . . ?
C88 Mo8 C87 36.35(16) . . ?
C88 Mo8 C89 35.8(2) . . ?
As2 Mo1 Mo2 55.526(12) . . ?
As2 Mo1 As1 54.999(13) . . ?
As1 Mo1 Mo2 52.349(11) . . ?
C2 Mo1 Mo2 84.55(12) . . ?
C2 Mo1 As2 127.14(10) . . ?
C2 Mo1 As1 73.76(10) . . ?
C2 Mo1 C3 132.97(15) . . ?
C2 Mo1 C7 96.94(15) . . ?
C2 Mo1 C5 106.08(15) . . ?
C2 Mo1 C4 140.06(14) . . ?
C2 Mo1 C6 83.00(15) . . ?
C1 Mo1 Mo2 128.86(12) . . ?
C1 Mo1 As2 91.64(12) . . ?
C1 Mo1 As1 77.08(12) . . ?
C1 Mo1 C2 88.63(17) . . ?
C1 Mo1 C3 85.53(16) . . ?
C1 Mo1 C7 85.41(17) . . ?
C1 Mo1 C5 142.23(16) . . ?
C1 Mo1 C4 117.73(16) . . ?
C1 Mo1 C6 117.43(17) . . ?
C3 Mo1 Mo2 133.11(11) . . ?
C3 Mo1 As2 99.68(10) . . ?
C3 Mo1 As1 148.08(11) . . ?
C3 Mo1 C5 58.81(15) . . ?
C3 Mo1 C4 35.43(15) . . ?
C3 Mo1 C6 59.34(15) . . ?
C7 Mo1 Mo2 145.71(12) . . ?
C7 Mo1 As2 135.78(11) . . ?
C7 Mo1 As1 160.22(11) . . ?
C7 Mo1 C3 36.10(15) . . ?
C7 Mo1 C5 58.80(15) . . ?
C7 Mo1 C4 59.24(14) . . ?
C7 Mo1 C6 35.42(17) . . ?
C5 Mo1 Mo2 87.74(11) . . ?
C5 Mo1 As2 105.34(10) . . ?
C5 Mo1 As1 140.09(11) . . ?
C4 Mo1 Mo2 98.42(11) . . ?
C4 Mo1 As2 84.15(9) . . ?
C4 Mo1 As1 137.93(9) . . ?
C4 Mo1 C5 35.03(15) . . ?
C6 Mo1 Mo2 111.89(12) . . ?
C6 Mo1 As2 140.05(11) . . ?
C6 Mo1 As1 152.53(11) . . ?
C6 Mo1 C5 35.19(15) . . ?
C6 Mo1 C4 58.79(13) . . ?
As8 Mo7 Mo8 52.817(11) . . ?
As7 Mo7 Mo8 55.760(11) . . ?
As7 Mo7 As8 55.189(13) . . ?
C81 Mo7 Mo8 83.77(10) . . ?
C81 Mo7 As8 136.44(10) . . ?
C81 Mo7 As7 106.10(11) . . ?
C78 Mo7 Mo8 129.16(12) . . ?
C78 Mo7 As8 79.24(12) . . ?
C78 Mo7 As7 85.04(13) . . ?
C78 Mo7 C81 142.76(15) . . ?
C78 Mo7 C82 114.69(16) . . ?
C78 Mo7 C80 122.06(17) . . ?
C78 Mo7 C79 88.28(16) . . ?
C78 Mo7 C77 89.28(19) . . ?
C78 Mo7 C83 84.39(16) . . ?
C82 Mo7 Mo8 94.74(10) . . ?
C82 Mo7 As8 137.83(11) . . ?
C82 Mo7 As7 85.31(10) . . ?
C82 Mo7 C81 34.98(13) . . ?
C80 Mo7 Mo8 108.51(12) . . ?
C80 Mo7 As8 148.45(11) . . ?
C80 Mo7 As7 140.84(11) . . ?
C80 Mo7 C81 35.11(16) . . ?
C80 Mo7 C82 58.70(14) . . ?
C79 Mo7 Mo8 142.20(11) . . ?
C79 Mo7 As8 162.12(11) . . ?
C79 Mo7 As7 136.93(12) . . ?
C79 Mo7 C81 59.06(15) . . ?
C79 Mo7 C82 59.35(15) . . ?
C79 Mo7 C80 35.75(17) . . ?
C79 Mo7 C83 36.23(17) . . ?
C77 Mo7 Mo8 91.49(14) . . ?
C77 Mo7 As8 72.98(12) . . ?
C77 Mo7 As7 128.03(12) . . ?
C77 Mo7 C81 109.04(16) . . ?
C77 Mo7 C82 141.78(15) . . ?
C77 Mo7 C80 83.57(16) . . ?
C77 Mo7 C79 94.29(17) . . ?
C77 Mo7 C83 130.08(18) . . ?
C83 Mo7 Mo8 129.60(11) . . ?
C83 Mo7 As8 151.68(11) . . ?
C83 Mo7 As7 100.71(12) . . ?
C83 Mo7 C81 58.86(14) . . ?
C83 Mo7 C82 35.39(15) . . ?
C83 Mo7 C80 59.50(15) . . ?
Mo6 As5 Ag2 110.512(15) . . ?
Mo5 As5 Ag2 114.499(17) . . ?
Mo5 As5 Mo6 71.969(12) . . ?
As6 As5 Ag2 63.315(13) . . ?
As6 As5 Mo6 60.506(13) . . ?
As6 As5 Mo5 64.007(14) . . ?
Ag2 As6 Ag3 65.269(11) . . ?
Mo6 As6 Ag2 114.648(17) . . ?
Mo6 As6 Ag3 138.950(18) . . ?
Mo6 As6 Mo5 72.550(13) . . ?
Mo5 As6 Ag2 112.892(15) . . ?
Mo5 As6 Ag3 147.885(18) . . ?
As5 As6 Ag2 64.278(13) . . ?
As5 As6 Ag3 129.474(17) . . ?
As5 As6 Mo6 65.038(14) . . ?
As5 As6 Mo5 60.956(14) . . ?
Ag3 As3 Ag2 66.469(12) . . ?
Mo4 As3 Ag2 147.932(18) . . ?
Mo4 As3 Ag3 116.562(16) . . ?
Mo4 As3 Mo3 72.870(13) . . ?
Mo3 As3 Ag2 138.171(18) . . ?
Mo3 As3 Ag3 110.534(16) . . ?
As4 As3 Ag2 130.382(19) . . ?
As4 As3 Ag3 64.098(14) . . ?
As4 As3 Mo4 64.967(15) . . ?
As4 As3 Mo3 61.007(13) . . ?
Mo4 As4 Ag3 112.371(16) . . ?
Mo3 As4 Ag3 112.044(16) . . ?
Mo3 As4 Mo4 72.196(13) . . ?
As3 As4 Ag3 63.307(14) . . ?
As3 As4 Mo4 60.409(14) . . ?
As3 As4 Mo3 63.845(14) . . ?
Ag4 As8 Ag1 67.456(12) . 1_656 ?
Mo8 As8 Ag1 130.026(17) . 1_656 ?
Mo8 As8 Ag4 118.354(18) . . ?
Mo8 As8 Mo7 72.374(13) . . ?
Mo7 As8 Ag1 155.758(18) . 1_656 ?
Mo7 As8 Ag4 113.207(16) . . ?
As7 As8 Ag1 132.019(19) . 1_656 ?
As7 As8 Ag4 66.713(14) . . ?
As7 As8 Mo8 64.926(14) . . ?
As7 As8 Mo7 61.188(14) . . ?
Mo2 As2 Ag1 109.498(16) . . ?
Mo1 As2 Ag1 110.502(16) . . ?
Mo1 As2 Mo2 72.246(13) . . ?
As1 As2 Ag1 60.498(13) . . ?
As1 As2 Mo2 60.229(14) . . ?
As1 As2 Mo1 63.938(14) . . ?
Ag1 As1 Ag4 67.481(12) . 1_454 ?
Ag1 As1 Mo1 112.978(17) . . ?
Mo2 As1 Ag1 118.144(16) . . ?
Mo2 As1 Ag4 144.046(19) . 1_454 ?
Mo2 As1 Mo1 73.063(13) . . ?
Mo1 As1 Ag4 140.535(18) . 1_454 ?
As2 As1 Ag1 66.641(14) . . ?
As2 As1 Ag4 134.079(18) . 1_454 ?
As2 As1 Mo2 65.208(15) . . ?
As2 As1 Mo1 61.063(14) . . ?
Mo8 As7 Ag4 110.142(15) . . ?
Mo7 As7 Ag4 110.583(16) . . ?
Mo7 As7 Mo8 71.540(13) . . ?
As8 As7 Ag4 60.822(13) . . ?
As8 As7 Mo8 60.318(13) . . ?
As8 As7 Mo7 63.623(15) . . ?
F15 P3 F17 88.82(15) . . ?
F15 P3 F13 178.74(17) . . ?
F17 P3 F13 89.93(16) . . ?
F18 P3 F15 90.57(16) . . ?
F18 P3 F17 179.37(18) . . ?
F18 P3 F16 89.96(18) . . ?
F18 P3 F14 90.98(18) . . ?
F18 P3 F13 90.68(17) . . ?
F16 P3 F15 90.44(16) . . ?
F16 P3 F17 89.92(18) . . ?
F16 P3 F13 89.40(16) . . ?
F14 P3 F15 91.06(16) . . ?
F14 P3 F17 89.16(18) . . ?
F14 P3 F16 178.2(2) . . ?
F14 P3 F13 89.08(17) . . ?
F20 P4 F23 90.51(15) . . ?
F20 P4 F24 89.40(15) . . ?
F23 P4 F24 178.7(2) . . ?
F22 P4 F20 179.42(17) . . ?
F22 P4 F23 90.03(15) . . ?
F22 P4 F24 90.06(15) . . ?
F21 P4 F20 90.37(18) . . ?
F21 P4 F23 89.5(2) . . ?
F21 P4 F22 89.83(18) . . ?
F21 P4 F24 89.2(2) . . ?
F19 P4 F20 89.68(18) . . ?
F19 P4 F23 90.3(2) . . ?
F19 P4 F22 90.12(19) . . ?
F19 P4 F24 91.0(2) . . ?
F19 P4 F21 179.8(2) . . ?
F7 P2 F12 88.79(16) . . ?
F7 P2 F8 90.39(16) . . ?
F12 P2 F8 88.57(19) . . ?
F9 P2 F7 178.3(2) . . ?
F9 P2 F12 89.9(2) . . ?
F9 P2 F8 90.67(18) . . ?
F9 P2 F10 89.15(18) . . ?
F10 P2 F7 89.75(17) . . ?
F10 P2 F12 90.15(18) . . ?
F10 P2 F8 178.7(2) . . ?
F11 P2 F7 90.12(19) . . ?
F11 P2 F12 178.74(18) . . ?
F11 P2 F8 90.8(2) . . ?
F11 P2 F9 91.2(2) . . ?
F11 P2 F10 90.5(2) . . ?
F5 P1 F2 89.93(17) . . ?
F4 P1 F2 179.4(2) . . ?
F4 P1 F5 89.60(17) . . ?
F4 P1 F1 90.09(19) . . ?
F4 P1 F6 90.16(17) . . ?
F4 P1 F3 89.7(2) . . ?
F1 P1 F2 90.32(17) . . ?
F1 P1 F5 89.95(19) . . ?
F1 P1 F6 90.3(2) . . ?
F1 P1 F3 179.4(2) . . ?
F6 P1 F2 90.31(17) . . ?
F6 P1 F5 179.69(19) . . ?
F6 P1 F3 90.33(19) . . ?
F3 P1 F2 89.87(18) . . ?
F3 P1 F5 89.46(17) . . ?
C66 N6 Ag3 118.6(3) . . ?
C66 N6 C62 116.3(3) . . ?
C62 N6 Ag3 125.1(2) . . ?
C29 N3 Ag2 122.6(2) . . ?
C29 N3 C25 117.1(3) . . ?
C25 N3 Ag2 119.6(3) . . ?
C21 N2 Ag1 119.5(3) . . ?
C17 N2 Ag1 123.4(2) . . ?
C17 N2 C21 117.1(3) . . ?
C70 N7 Ag4 120.0(2) . . ?
C70 N7 C74 117.0(3) . . ?
C74 N7 Ag4 122.9(2) . . ?
C15 N1 Ag1 157.8(3) . . ?
Mo6 C57 H57 120.1 . . ?
C56 C57 Mo6 74.5(2) . . ?
C56 C57 H57 125.7 . . ?
C56 C57 C58 108.6(4) . . ?
C58 C57 Mo6 71.4(2) . . ?
C58 C57 H57 125.7 . . ?
C60 N5 Ag3 158.4(3) . . ?
O5 C32 Mo3 178.5(4) . . ?
C72 C71 H71 120.2 . . ?
C72 C71 C70 119.7(4) . . ?
C70 C71 H71 120.2 . . ?
C71 C72 C73 116.9(3) . . ?
C71 C72 C69 120.7(3) . . ?
C73 C72 C69 122.3(4) . . ?
O11 C53 Mo6 175.0(3) . . ?
O6 C33 Mo3 175.9(3) . . ?
C75 N8 Ag4 158.6(3) . . ?
O2 C2 Mo1 177.5(3) . . ?
O3 C8 Mo2 175.0(4) . . ?
N5 C60 C61 179.1(5) . . ?
O12 C54 Mo6 175.7(3) . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.4(4) . . ?
C19 C18 H18 120.3 . . ?
Mo6 C56 H56 122.4 . . ?
C57 C56 Mo6 70.2(2) . . ?
C57 C56 H56 126.4 . . ?
C57 C56 C55 107.3(4) . . ?
C55 C56 Mo6 72.7(2) . . ?
C55 C56 H56 126.4 . . ?
O8 C40 Mo4 173.5(4) . . ?
O9 C46 Mo5 176.9(3) . . ?
C30 N4 Ag2 159.1(3) . . ?
H68A C68 H68B 107.8 . . ?
C67 C68 H68A 109.0 . . ?
C67 C68 H68B 109.0 . . ?
C67 C68 C69 113.0(3) . . ?
C69 C68 H68A 109.0 . . ?
C69 C68 H68B 109.0 . . ?
O15 C84 Mo8 175.5(3) . . ?
H24A C24 H24B 107.4 . . ?
C23 C24 H24A 108.2 . . ?
C23 C24 H24B 108.2 . . ?
C27 C24 H24A 108.2 . . ?
C27 C24 H24B 108.2 . . ?
C27 C24 C23 116.3(3) . . ?
N2 C21 H21 118.6 . . ?
N2 C21 C20 122.7(4) . . ?
C20 C21 H21 118.6 . . ?
C72 C73 H73 120.1 . . ?
C74 C73 C72 119.8(4) . . ?
C74 C73 H73 120.1 . . ?
N8 C75 C76 179.3(5) . . ?
O4 C9 Mo2 175.1(4) . . ?
N7 C70 C71 123.4(4) . . ?
N7 C70 H70 118.3 . . ?
C71 C70 H70 118.3 . . ?
Mo4 C44 H44 120.4 . . ?
C43 C44 Mo4 74.4(2) . . ?
C43 C44 H44 125.9 . . ?
C43 C44 C45 108.1(4) . . ?
C45 C44 Mo4 71.0(2) . . ?
C45 C44 H44 125.9 . . ?
Mo2 C10 H10 119.7 . . ?
C14 C10 Mo2 73.1(2) . . ?
C14 C10 H10 126.3 . . ?
C14 C10 C11 107.4(4) . . ?
C11 C10 Mo2 72.8(2) . . ?
C11 C10 H10 126.3 . . ?
C68 C67 H67A 108.3 . . ?
C68 C67 H67B 108.3 . . ?
H67A C67 H67B 107.4 . . ?
C64 C67 C68 115.7(3) . . ?
C64 C67 H67A 108.3 . . ?
C64 C67 H67B 108.3 . . ?
Mo2 C14 H14 120.5 . . ?
C10 C14 Mo2 71.1(2) . . ?
C10 C14 H14 125.8 . . ?
C13 C14 Mo2 74.4(2) . . ?
C13 C14 C10 108.4(4) . . ?
C13 C14 H14 125.8 . . ?
C21 C20 H20 119.8 . . ?
C21 C20 C19 120.3(3) . . ?
C19 C20 H20 119.8 . . ?
C66 C65 H65 120.0 . . ?
C66 C65 C64 119.9(3) . . ?
C64 C65 H65 120.0 . . ?
N4 C30 C31 179.2(5) . . ?
Mo5 C48 H48 120.2 . . ?
C52 C48 Mo5 71.3(2) . . ?
C52 C48 H48 125.5 . . ?
C49 C48 Mo5 74.7(2) . . ?
C49 C48 H48 125.5 . . ?
C49 C48 C52 109.0(4) . . ?
N6 C66 C65 123.8(4) . . ?
N6 C66 H66 118.1 . . ?
C65 C66 H66 118.1 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N7 C74 C73 123.2(4) . . ?
N7 C74 H74 118.4 . . ?
C73 C74 H74 118.4 . . ?
C72 C69 C68 111.3(3) . . ?
C72 C69 H69A 109.4 . . ?
C72 C69 H69B 109.4 . . ?
C68 C69 H69A 109.4 . . ?
C68 C69 H69B 109.4 . . ?
H69A C69 H69B 108.0 . . ?
H22A C22 H22B 108.0 . . ?
C23 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C19 C22 H22A 109.4 . . ?
C19 C22 H22B 109.4 . . ?
C19 C22 C23 111.4(3) . . ?
O7 C39 Mo4 174.6(4) . . ?
Mo7 C81 H81 123.2 . . ?
C82 C81 Mo7 71.5(2) . . ?
C82 C81 H81 126.1 . . ?
C82 C81 C80 107.8(4) . . ?
C80 C81 Mo7 70.9(2) . . ?
C80 C81 H81 126.1 . . ?
O16 C85 Mo8 176.2(4) . . ?
C29 C28 H28 119.9 . . ?
C29 C28 C27 120.2(4) . . ?
C27 C28 H28 119.9 . . ?
C24 C23 C22 114.0(3) . . ?
C24 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C22 C23 H23A 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C62 C63 C64 120.4(4) . . ?
O1 C1 Mo1 178.5(4) . . ?
C27 C26 H26 119.9 . . ?
C27 C26 C25 120.2(4) . . ?
C25 C26 H26 119.9 . . ?
N1 C15 C16 179.4(5) . . ?
N2 C17 C18 123.5(3) . . ?
N2 C17 H17 118.2 . . ?
C18 C17 H17 118.2 . . ?
N3 C29 C28 123.1(4) . . ?
N3 C29 H29 118.4 . . ?
C28 C29 H29 118.4 . . ?
O14 C78 Mo7 178.2(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Mo7 C82 H82 121.8 . . ?
C81 C82 Mo7 73.5(2) . . ?
C81 C82 H82 125.8 . . ?
C83 C82 Mo7 70.6(2) . . ?
C83 C82 C81 108.4(4) . . ?
C83 C82 H82 125.8 . . ?
C65 C64 C67 122.7(3) . . ?
C63 C64 C67 120.8(4) . . ?
C63 C64 C65 116.5(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C28 C27 C24 119.0(4) . . ?
C26 C27 C24 124.2(3) . . ?
C26 C27 C28 116.7(3) . . ?
Mo8 C86 H86 123.1 . . ?
C90 C86 Mo8 72.4(2) . . ?
C90 C86 H86 126.2 . . ?
C87 C86 Mo8 70.0(2) . . ?
C87 C86 H86 126.2 . . ?
C87 C86 C90 107.7(4) . . ?
Mo5 C52 H52 120.1 . . ?
C48 C52 Mo5 72.7(2) . . ?
C48 C52 H52 126.5 . . ?
C48 C52 C51 106.9(4) . . ?
C51 C52 Mo5 72.5(2) . . ?
C51 C52 H52 126.5 . . ?
Mo1 C3 H3 120.1 . . ?
C7 C3 Mo1 71.6(2) . . ?
C7 C3 H3 126.1 . . ?
C4 C3 Mo1 74.1(2) . . ?
C4 C3 H3 126.1 . . ?
C4 C3 C7 107.8(4) . . ?
Mo4 C43 H43 122.4 . . ?
C44 C43 Mo4 70.6(2) . . ?
C44 C43 H43 126.1 . . ?
C44 C43 C42 107.9(4) . . ?
C42 C43 Mo4 72.6(2) . . ?
C42 C43 H43 126.1 . . ?
Mo4 C45 H45 120.1 . . ?
C44 C45 Mo4 72.8(2) . . ?
C44 C45 H45 126.2 . . ?
C41 C45 Mo4 72.8(2) . . ?
C41 C45 C44 107.7(4) . . ?
C41 C45 H45 126.2 . . ?
N6 C62 C63 123.1(3) . . ?
N6 C62 H62 118.5 . . ?
C63 C62 H62 118.5 . . ?
Mo6 C59 H59 120.7 . . ?
C58 C59 Mo6 70.7(2) . . ?
C58 C59 H59 125.9 . . ?
C55 C59 Mo6 74.4(2) . . ?
C55 C59 H59 125.9 . . ?
C55 C59 C58 108.2(4) . . ?
Mo6 C58 H58 119.7 . . ?
C57 C58 Mo6 72.6(2) . . ?
C57 C58 C59 107.4(4) . . ?
C57 C58 H58 126.3 . . ?
C59 C58 Mo6 73.3(2) . . ?
C59 C58 H58 126.3 . . ?
Mo5 C49 H49 123.3 . . ?
C48 C49 Mo5 70.2(2) . . ?
C48 C49 H49 126.4 . . ?
C48 C49 C50 107.3(4) . . ?
C50 C49 Mo5 71.8(2) . . ?
C50 C49 H49 126.4 . . ?
Mo1 C7 H7 120.4 . . ?
C3 C7 Mo1 72.3(2) . . ?
C3 C7 H7 126.0 . . ?
C6 C7 Mo1 73.0(2) . . ?
C6 C7 C3 107.9(4) . . ?
C6 C7 H7 126.0 . . ?
Mo2 C11 H11 120.4 . . ?
C10 C11 Mo2 71.2(2) . . ?
C10 C11 H11 125.9 . . ?
C12 C11 Mo2 74.3(2) . . ?
C12 C11 C10 108.3(4) . . ?
C12 C11 H11 125.9 . . ?
Mo2 C12 H12 122.4 . . ?
C11 C12 Mo2 70.7(2) . . ?
C11 C12 H12 125.8 . . ?
C11 C12 C13 108.5(4) . . ?
C13 C12 Mo2 72.8(2) . . ?
C13 C12 H12 125.8 . . ?
Mo5 C50 H50 121.9 . . ?
C49 C50 Mo5 73.3(2) . . ?
C49 C50 H50 125.7 . . ?
C51 C50 Mo5 70.8(2) . . ?
C51 C50 C49 108.6(4) . . ?
C51 C50 H50 125.7 . . ?
Mo2 C13 H13 122.8 . . ?
C14 C13 Mo2 70.5(2) . . ?
C14 C13 C12 107.4(4) . . ?
C14 C13 H13 126.3 . . ?
C12 C13 Mo2 72.1(2) . . ?
C12 C13 H13 126.3 . . ?
Mo1 C5 H5 122.7 . . ?
C4 C5 Mo1 72.2(2) . . ?
C4 C5 H5 126.0 . . ?
C6 C5 Mo1 70.7(2) . . ?
C6 C5 H5 126.0 . . ?
C6 C5 C4 108.0(4) . . ?
Mo3 C35 H35 119.8 . . ?
C36 C35 Mo3 71.8(2) . . ?
C36 C35 H35 126.0 . . ?
C36 C35 C34 108.0(4) . . ?
C34 C35 Mo3 74.3(2) . . ?
C34 C35 H35 126.0 . . ?
Mo4 C41 H41 119.7 . . ?
C45 C41 Mo4 71.7(2) . . ?
C45 C41 H41 125.8 . . ?
C45 C41 C42 108.4(4) . . ?
C42 C41 Mo4 74.6(2) . . ?
C42 C41 H41 125.8 . . ?
Mo7 C80 H80 120.9 . . ?
C81 C80 Mo7 74.0(2) . . ?
C81 C80 H80 125.8 . . ?
C81 C80 C79 108.4(4) . . ?
C79 C80 Mo7 70.9(2) . . ?
C79 C80 H80 125.8 . . ?
Mo8 C90 H90 122.7 . . ?
C86 C90 Mo8 72.4(2) . . ?
C86 C90 H90 126.0 . . ?
C89 C90 Mo8 70.6(3) . . ?
C89 C90 C86 108.0(5) . . ?
C89 C90 H90 126.0 . . ?
Mo5 C51 H51 120.4 . . ?
C52 C51 Mo5 71.4(2) . . ?
C52 C51 H51 125.9 . . ?
C50 C51 Mo5 74.0(2) . . ?
C50 C51 C52 108.1(4) . . ?
C50 C51 H51 125.9 . . ?
C18 C19 C22 123.3(3) . . ?
C20 C19 C18 117.0(4) . . ?
C20 C19 C22 119.8(3) . . ?
Mo4 C42 H42 123.1 . . ?
C43 C42 Mo4 72.5(2) . . ?
C43 C42 H42 126.0 . . ?
C41 C42 Mo4 70.1(2) . . ?
C41 C42 C43 107.9(4) . . ?
C41 C42 H42 126.0 . . ?
N3 C25 C26 122.7(4) . . ?
N3 C25 H25 118.6 . . ?
C26 C25 H25 118.6 . . ?
Mo6 C55 H55 122.8 . . ?
C56 C55 Mo6 72.3(2) . . ?
C56 C55 H55 125.7 . . ?
C59 C55 Mo6 70.9(2) . . ?
C59 C55 C56 108.7(4) . . ?
C59 C55 H55 125.7 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
Mo1 C4 H4 122.3 . . ?
C3 C4 Mo1 70.5(2) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 Mo1 72.7(2) . . ?
C5 C4 C3 107.7(4) . . ?
C5 C4 H4 126.1 . . ?
O10 C47 Mo5 177.9(4) . . ?
Mo3 C36 H36 119.9 . . ?
C35 C36 Mo3 72.4(2) . . ?
C35 C36 H36 126.1 . . ?
C35 C36 C37 107.8(4) . . ?
C37 C36 Mo3 73.5(2) . . ?
C37 C36 H36 126.1 . . ?
Mo1 C6 H6 120.3 . . ?
C7 C6 Mo1 71.6(2) . . ?
C7 C6 C5 108.5(4) . . ?
C7 C6 H6 125.7 . . ?
C5 C6 Mo1 74.1(2) . . ?
C5 C6 H6 125.7 . . ?
Mo7 C79 H79 120.3 . . ?
C80 C79 Mo7 73.3(2) . . ?
C80 C79 H79 126.3 . . ?
C80 C79 C83 107.4(4) . . ?
C83 C79 Mo7 71.9(2) . . ?
C83 C79 H79 126.3 . . ?
Mo3 C34 H34 122.2 . . ?
C35 C34 Mo3 70.1(2) . . ?
C35 C34 H34 126.3 . . ?
C38 C34 Mo3 73.1(2) . . ?
C38 C34 C35 107.4(4) . . ?
C38 C34 H34 126.3 . . ?
Mo8 C87 H87 120.0 . . ?
C86 C87 Mo8 74.9(2) . . ?
C86 C87 H87 125.9 . . ?
C86 C87 C88 108.1(4) . . ?
C88 C87 Mo8 71.0(2) . . ?
C88 C87 H87 125.9 . . ?
O13 C77 Mo7 177.9(4) . . ?
Mo8 C89 H89 120.7 . . ?
C90 C89 Mo8 74.4(2) . . ?
C90 C89 H89 125.7 . . ?
C90 C89 C88 108.5(4) . . ?
C88 C89 Mo8 70.8(2) . . ?
C88 C89 H89 125.7 . . ?
Mo8 C88 H88 119.7 . . ?
C87 C88 Mo8 72.6(2) . . ?
C87 C88 H88 126.1 . . ?
C89 C88 Mo8 73.4(2) . . ?
C89 C88 C87 107.7(5) . . ?
C89 C88 H88 126.1 . . ?
Mo3 C38 H38 122.9 . . ?
C34 C38 Mo3 72.0(2) . . ?
C34 C38 H38 125.7 . . ?
C37 C38 Mo3 71.0(2) . . ?
C37 C38 C34 108.5(4) . . ?
C37 C38 H38 125.7 . . ?
Mo3 C37 H37 120.7 . . ?
C36 C37 Mo3 70.8(2) . . ?
C36 C37 H37 125.9 . . ?
C38 C37 Mo3 74.3(2) . . ?
C38 C37 C36 108.2(4) . . ?
C38 C37 H37 125.9 . . ?
Mo7 C83 H83 119.9 . . ?
C82 C83 Mo7 74.0(2) . . ?
C82 C83 C79 108.0(4) . . ?
C82 C83 H83 126.0 . . ?
C79 C83 Mo7 71.8(2) . . ?
C79 C83 H83 126.0 . . ?

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
Ag2 N3 C29 C28 -170.2(3) . . . . ?
Ag2 N3 C25 C26 170.3(3) . . . . ?
Ag3 N6 C66 C65 -176.4(3) . . . . ?
Ag3 N6 C62 C63 176.5(3) . . . . ?
Ag1 N2 C21 C20 177.9(3) . . . . ?
Ag1 N2 C17 C18 -176.9(3) . . . . ?
Ag4 N7 C70 C71 -177.8(3) . . . . ?
Ag4 N7 C74 C73 176.4(3) . . . . ?
Mo4 C44 C43 C42 63.5(3) . . . . ?
Mo4 C44 C45 C41 -65.0(3) . . . . ?
Mo4 C43 C42 C41 61.5(3) . . . . ?
Mo4 C45 C41 C42 -66.2(3) . . . . ?
Mo4 C41 C42 C43 -63.0(3) . . . . ?
Mo6 C57 C56 C55 63.7(2) . . . . ?
Mo6 C57 C58 C59 -65.6(2) . . . . ?
Mo6 C56 C55 C59 61.9(2) . . . . ?
Mo6 C59 C58 C57 65.1(2) . . . . ?
Mo6 C59 C55 C56 -62.8(2) . . . . ?
Mo2 C10 C14 C13 65.5(3) . . . . ?
Mo2 C10 C11 C12 -65.6(3) . . . . ?
Mo2 C14 C13 C12 63.1(3) . . . . ?
Mo2 C11 C12 C13 -63.5(3) . . . . ?
Mo2 C12 C13 C14 -62.0(3) . . . . ?
Mo3 C35 C36 C37 -65.4(3) . . . . ?
Mo3 C35 C34 C38 64.1(3) . . . . ?
Mo3 C36 C37 C38 -65.4(3) . . . . ?
Mo3 C34 C38 C37 61.9(3) . . . . ?
Mo3 C38 C37 C36 63.1(3) . . . . ?
Mo5 C48 C52 C51 65.0(3) . . . . ?
Mo5 C48 C49 C50 -62.6(3) . . . . ?
Mo5 C52 C51 C50 65.4(3) . . . . ?
Mo5 C49 C50 C51 -62.3(3) . . . . ?
Mo5 C50 C51 C52 -63.7(3) . . . . ?
Mo8 C86 C90 C89 62.0(3) . . . . ?
Mo8 C86 C87 C88 -63.7(3) . . . . ?
Mo8 C90 C89 C88 63.1(3) . . . . ?
Mo8 C87 C88 C89 -65.6(3) . . . . ?
Mo8 C89 C88 C87 65.0(3) . . . . ?
Mo1 C3 C7 C6 -64.8(3) . . . . ?
Mo1 C3 C4 C5 63.6(3) . . . . ?
Mo1 C7 C6 C5 -65.4(3) . . . . ?
Mo1 C5 C4 C3 -62.2(3) . . . . ?
Mo1 C5 C6 C7 63.8(3) . . . . ?
Mo7 C81 C82 C83 -62.3(3) . . . . ?
Mo7 C81 C80 C79 63.1(3) . . . . ?
Mo7 C82 C83 C79 -64.3(3) . . . . ?
Mo7 C80 C79 C83 64.3(3) . . . . ?
Mo7 C79 C83 C82 65.8(3) . . . . ?
N2 C21 C20 C19 -1.2(6) . . . . ?
C57 C56 C55 Mo6 -62.1(2) . . . . ?
C57 C56 C55 C59 -0.2(4) . . . . ?
C71 C72 C73 C74 -2.2(6) . . . . ?
C71 C72 C69 C68 92.6(4) . . . . ?
C72 C71 C70 N7 0.6(6) . . . . ?
C72 C73 C74 N7 1.9(6) . . . . ?
C56 C57 C58 Mo6 65.8(2) . . . . ?
C56 C57 C58 C59 0.2(4) . . . . ?
C68 C67 C64 C65 28.3(6) . . . . ?
C68 C67 C64 C63 -153.4(4) . . . . ?
C21 N2 C17 C18 0.4(5) . . . . ?
C21 C20 C19 C18 1.0(6) . . . . ?
C21 C20 C19 C22 -178.9(4) . . . . ?
C73 C72 C69 C68 -85.8(4) . . . . ?
C70 N7 C74 C73 -0.3(6) . . . . ?
C70 C71 C72 C73 1.0(5) . . . . ?
C70 C71 C72 C69 -177.4(3) . . . . ?
C44 C43 C42 Mo4 -62.2(3) . . . . ?
C44 C43 C42 C41 -0.8(5) . . . . ?
C44 C45 C41 Mo4 65.0(3) . . . . ?
C44 C45 C41 C42 -1.2(5) . . . . ?
C10 C14 C13 Mo2 -63.4(3) . . . . ?
C10 C14 C13 C12 -0.2(5) . . . . ?
C10 C11 C12 Mo2 63.6(3) . . . . ?
C10 C11 C12 C13 0.1(5) . . . . ?
C67 C68 C69 C72 -165.7(3) . . . . ?
C14 C10 C11 Mo2 65.4(3) . . . . ?
C14 C10 C11 C12 -0.2(5) . . . . ?
C48 C52 C51 Mo5 -65.1(3) . . . . ?
C48 C52 C51 C50 0.3(4) . . . . ?
C48 C49 C50 Mo5 61.6(3) . . . . ?
C48 C49 C50 C51 -0.7(4) . . . . ?
C66 N6 C62 C63 -0.3(6) . . . . ?
C66 C65 C64 C67 176.4(4) . . . . ?
C66 C65 C64 C63 -2.1(6) . . . . ?
C74 N7 C70 C71 -0.9(6) . . . . ?
C69 C72 C73 C74 176.2(4) . . . . ?
C69 C68 C67 C64 65.2(5) . . . . ?
C81 C82 C83 Mo7 64.2(3) . . . . ?
C81 C82 C83 C79 -0.1(4) . . . . ?
C81 C80 C79 Mo7 -65.1(3) . . . . ?
C81 C80 C79 C83 -0.7(4) . . . . ?
C23 C24 C27 C28 -166.0(3) . . . . ?
C23 C24 C27 C26 10.7(6) . . . . ?
C23 C22 C19 C18 115.1(4) . . . . ?
C23 C22 C19 C20 -65.0(5) . . . . ?
C17 N2 C21 C20 0.5(5) . . . . ?
C17 C18 C19 C20 -0.1(6) . . . . ?
C17 C18 C19 C22 179.7(4) . . . . ?
C29 N3 C25 C26 -0.7(6) . . . . ?
C29 C28 C27 C24 175.3(3) . . . . ?
C29 C28 C27 C26 -1.6(6) . . . . ?
C82 C81 C80 Mo7 -62.4(3) . . . . ?
C82 C81 C80 C79 0.7(4) . . . . ?
C64 C65 C66 N6 0.6(7) . . . . ?
C64 C63 C62 N6 -1.2(6) . . . . ?
C27 C24 C23 C22 -80.5(4) . . . . ?
C27 C28 C29 N3 0.7(6) . . . . ?
C27 C26 C25 N3 -0.2(6) . . . . ?
C86 C90 C89 Mo8 -63.1(3) . . . . ?
C86 C90 C89 C88 -0.1(4) . . . . ?
C86 C87 C88 Mo8 66.2(3) . . . . ?
C86 C87 C88 C89 0.7(5) . . . . ?
C52 C48 C49 Mo5 63.6(3) . . . . ?
C52 C48 C49 C50 0.9(4) . . . . ?
C3 C7 C6 Mo1 64.4(3) . . . . ?
C3 C7 C6 C5 -1.0(4) . . . . ?
C43 C44 C45 Mo4 65.7(3) . . . . ?
C43 C44 C45 C41 0.7(5) . . . . ?
C45 C44 C43 Mo4 -63.5(3) . . . . ?
C45 C44 C43 C42 0.0(4) . . . . ?
C45 C41 C42 Mo4 64.2(3) . . . . ?
C45 C41 C42 C43 1.2(5) . . . . ?
C62 N6 C66 C65 0.6(6) . . . . ?
C62 C63 C64 C67 -176.1(4) . . . . ?
C62 C63 C64 C65 2.4(6) . . . . ?
C58 C57 C56 Mo6 -63.7(2) . . . . ?
C58 C57 C56 C55 0.0(4) . . . . ?
C58 C59 C55 Mo6 63.1(2) . . . . ?
C58 C59 C55 C56 0.3(4) . . . . ?
C49 C48 C52 Mo5 -65.7(3) . . . . ?
C49 C48 C52 C51 -0.8(4) . . . . ?
C49 C50 C51 Mo5 64.0(3) . . . . ?
C49 C50 C51 C52 0.3(5) . . . . ?
C7 C3 C4 Mo1 -64.1(3) . . . . ?
C7 C3 C4 C5 -0.5(4) . . . . ?
C11 C10 C14 Mo2 -65.2(3) . . . . ?
C11 C10 C14 C13 0.3(5) . . . . ?
C11 C12 C13 Mo2 62.1(3) . . . . ?
C11 C12 C13 C14 0.1(5) . . . . ?
C35 C36 C37 Mo3 64.7(3) . . . . ?
C35 C36 C37 C38 -0.7(5) . . . . ?
C35 C34 C38 Mo3 -62.1(3) . . . . ?
C35 C34 C38 C37 -0.2(5) . . . . ?
C80 C81 C82 Mo7 61.9(3) . . . . ?
C80 C81 C82 C83 -0.4(4) . . . . ?
C80 C79 C83 Mo7 -65.2(3) . . . . ?
C80 C79 C83 C82 0.5(4) . . . . ?
C90 C86 C87 Mo8 63.0(3) . . . . ?
C90 C86 C87 C88 -0.7(4) . . . . ?
C90 C89 C88 Mo8 -65.4(3) . . . . ?
C90 C89 C88 C87 -0.4(5) . . . . ?
C19 C18 C17 N2 -0.6(6) . . . . ?
C19 C22 C23 C24 166.2(3) . . . . ?
C25 N3 C29 C28 0.5(6) . . . . ?
C25 C26 C27 C24 -175.4(4) . . . . ?
C25 C26 C27 C28 1.4(6) . . . . ?
C55 C59 C58 Mo6 -65.5(3) . . . . ?
C55 C59 C58 C57 -0.3(4) . . . . ?
C4 C3 C7 Mo1 65.8(3) . . . . ?
C4 C3 C7 C6 0.9(4) . . . . ?
C4 C5 C6 Mo1 -63.0(3) . . . . ?
C4 C5 C6 C7 0.7(4) . . . . ?
C36 C35 C34 Mo3 -64.3(3) . . . . ?
C36 C35 C34 C38 -0.2(5) . . . . ?
C6 C5 C4 Mo1 62.0(3) . . . . ?
C6 C5 C4 C3 -0.2(4) . . . . ?
C34 C35 C36 Mo3 66.0(3) . . . . ?
C34 C35 C36 C37 0.6(4) . . . . ?
C34 C38 C37 Mo3 -62.6(3) . . . . ?
C34 C38 C37 C36 0.5(5) . . . . ?
C87 C86 C90 Mo8 -61.5(3) . . . . ?
C87 C86 C90 C89 0.5(4) . . . . ?

_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 1.384
_oxdiff_exptl_absorpt_empirical_full_min 0.804
