#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:25:28 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261726 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/02/7060280.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7060280
loop_
_publ_author_name
'Moussa, Mehdi Elsayed'
'Schiller, Jana'
'Seidl, Michael'
'Shelyganov, Pavel A.'
'Scheer, Manfred'
_publ_section_title
;
 Discrete and polymeric organometallic-organic assemblies based on the
 diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic
 molecules
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1800
_journal_page_last               1804
_journal_paper_doi               10.1039/D0NJ05959E
_journal_volume                  45
_journal_year                    2021
_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            'C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2'
_chemical_formula_weight         3335.06
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_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)
;
_audit_update_record
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                97.822(2)
_cell_angle_beta                 103.366(3)
_cell_angle_gamma                91.281(2)
_cell_formula_units_Z            1
_cell_length_a                   12.9052(4)
_cell_length_b                   12.9624(3)
_cell_length_c                   16.0579(5)
_cell_measurement_reflns_used    19466
_cell_measurement_temperature    122.97(13)
_cell_measurement_theta_max      74.4660
_cell_measurement_theta_min      3.3970
_cell_volume                     2585.09(13)
_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)'
_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_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_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'GV50 (Cu) X-ray Source'
_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_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.142
_exptl_crystal_description       block
_exptl_crystal_F_000             1589
_exptl_crystal_size_max          0.332
_exptl_crystal_size_mid          0.252
_exptl_crystal_size_min          0.209
_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_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0355
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9574
_reflns_number_total             10080
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj05959e2.cif
_cod_data_source_block           ems_405_ap_abs_gaus
_cod_depositor_comments
'Adding full bibliography for 7060280--7060285.cif.'
_cod_original_formula_sum
'C74.70 H61.40 Ag2 As8 Cl5.40 F12 Mo8 N4 O16 P2'
_cod_database_code               7060280
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C76H64Ag2As8Cl8F12Mo8N4O16P2
_chemical_oxdiff_usercomment     'red block'
_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.
;
_shelx_estimated_absorpt_t_max   0.137
_shelx_estimated_absorpt_t_min   0.078
_reflns_odcompleteness_completeness 99.26
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.29
_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)
;
_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
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
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'
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
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_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_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) . . . . ?
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
