#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:25:28 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261726 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/02/7060282.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_7060282
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
'C34 H24 Ag As4 Mo4 N O8, F6 P, C2 H3 N, 1.5[CH2Cl2]'
_chemical_formula_sum            'C37.5 H30 Ag As4 Cl3 F6 Mo4 N2 O8 P'
_chemical_formula_weight         1679.26
_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             2020-11-27
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6197)
;
_audit_update_record
;
2020-12-03 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                98.621(4)
_cell_angle_beta                 103.144(4)
_cell_angle_gamma                90.062(4)
_cell_formula_units_Z            2
_cell_length_a                   12.8682(7)
_cell_length_b                   13.0664(6)
_cell_length_c                   15.9420(8)
_cell_measurement_reflns_used    12390
_cell_measurement_temperature    123.0(2)
_cell_measurement_theta_max      74.2030
_cell_measurement_theta_min      2.8390
_cell_volume                     2579.1(2)
_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)'
_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_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
_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_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.154
_refine_diff_density_max         0.907
_refine_diff_density_min         -1.040
_refine_diff_density_rms         0.133
_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_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0356
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9308
_reflns_number_total             9905
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj05959e2.cif
_cod_data_source_block           ems_407_ap_abs
_cod_depositor_comments
'Adding full bibliography for 7060280--7060285.cif.'
_cod_original_formula_sum        'C37.50 H30 Ag As4 Cl3 F6 Mo4 N2 O8 P'
_cod_database_code               7060282
_shelx_shelxl_version_number     2018/3
_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   0.193
_shelx_estimated_absorpt_t_min   0.072
_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)
;
_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.
;
_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
;
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 0.47659(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
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'
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
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_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_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) . . . . ?
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'
