#------------------------------------------------------------------------------
#$Date: 2020-06-05 14:09:07 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252849 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557976.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_1557976
loop_
_publ_author_name
'Li, Ya-Hui'
'Wang, Zhao-Yang'
'Ma, Bing'
'Xu, Hong'
'Zang, Shuang-Quan'
'Mak, Thomas C. W.'
_publ_section_title
;
 Self-assembly of thiolate-protected silver coordination polymers
 regulated by POMs.
;
_journal_issue                   20
_journal_name_full               Nanoscale
_journal_page_first              10944
_journal_page_last               10948
_journal_paper_doi               10.1039/d0nr00342e
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety
'0.5(C116 H246 Ag36 N10 S24), 3(Mo6 O19), 2(C2 H3 N)'
_chemical_formula_sum            'C62 H129 Ag18 Mo18 N7 O57 S12'
_chemical_formula_weight         5938.01
_chemical_name_systematic        Ag18-Mo6
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-08-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-08-30 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.3167(2)
_cell_length_b                   19.80926(14)
_cell_length_c                   27.71777(16)
_cell_measurement_reflns_used    34004
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      72.4500
_cell_measurement_theta_min      2.7280
_cell_volume                     14998.74(18)
_computing_cell_refinement       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (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    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     60.00  99.00   0.50    0.70    --   45.50  57.00 -60.00   78
  2  ω     24.00  55.00   0.50    0.70    --   45.50  57.00 -60.00   62
  3  ω     17.00  65.00   0.50    0.70    --   45.50  57.00   0.00   96
  4  ω      7.00 134.00   0.50    0.70    --   45.50  82.00-180.00  254
  5  ω     90.00 127.00   0.50    2.00    --  100.10 -61.00  30.00   74
  6  ω     46.00  86.00   0.50    2.00    --  100.10 -82.00   0.00   80
  7  ω     14.00 122.00   0.50    2.00    --  100.10 -77.00  30.00  216
  8  ω     69.00 102.00   0.50    2.00    --  100.10  45.00 -60.00   66
  9  ω     23.00  49.00   0.50    2.00    --  100.10 -61.00  30.00   52
 10  ω    122.00 172.00   0.50    2.00    --  100.10  45.00 -60.00  100
 11  ω    116.00 146.00   0.50    2.00    --  100.10 -30.00 150.00   60
 12  ω     19.00  92.00   0.50    2.00    --  100.10 -30.00 150.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0201925000
_diffrn_orient_matrix_UB_12      -0.0322257000
_diffrn_orient_matrix_UB_13      0.0465087000
_diffrn_orient_matrix_UB_21      0.0029035000
_diffrn_orient_matrix_UB_22      -0.0688705000
_diffrn_orient_matrix_UB_23      -0.0256217000
_diffrn_orient_matrix_UB_31      0.0525864000
_diffrn_orient_matrix_UB_32      0.0162197000
_diffrn_orient_matrix_UB_33      -0.0164468000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56711
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.593
_diffrn_reflns_theta_min         2.755
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    32.382
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellowish
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_density_diffrn    2.630
_exptl_crystal_description       block
_exptl_crystal_F_000             11200
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.401
_refine_diff_density_min         -2.097
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     859
_refine_ls_number_reflns         14604
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0515
_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)+(0.0397P)²+242.7789P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1291
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13574
_reflns_number_total             14604
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nr00342e2.cif
_cod_data_source_block           ag18-mo6
_cod_depositor_comments
'Adding full bibliography for 1557975--1557976.cif.'
_cod_original_cell_volume        14998.72(18)
_cod_database_code               1557976
_shelxl_version_number           2013-2
_chemical_oxdiff_usercomment     'C H O N '
_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   0.140
_shelx_estimated_absorpt_t_min   0.140
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C32-C29 = C30-C29 = C29-C31
 1.53 with sigma of 0.01
 C27-C25 = C28-C25 = C26-C25
 1.53 with sigma of 0.01
 C21-C22 = C21-C24 = C23-C21
 1.53 with sigma of 0.01
 C18-C17 = C17-C19 = C17-C20
 1.53 with sigma of 0.01
 C2A-C1A = C2B-C1B
 1.53 with sigma of 0.01
 N4B-C1B = N4A-C1A
 1.1 with sigma of 0.01
 C8-C7
 1.5 with sigma of 0.02
 C30-C29 = C32-C29 = C29-C31
 1.53 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.1
Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C30) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(Ag2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(Ag9A)=1-FVAR(1)
 Sof(Ag9B)=FVAR(1)
 Fixed Sof: N4A(0.5) C1A(0.5) C2A(0.5) H2AA(0.5) H2AB(0.5) H2AC(0.5) N4B(0.5)
 C1B(0.5) C2B(0.5) H2BA(0.5) H2BB(0.5) H2BC(0.5) N2(0.5) C7(0.5) C8(0.5)
 H8A(0.5) H8B(0.5) H8C(0.5)
5.a Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,
 H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,
 H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C),
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,
 H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,
 H32B,H32C), C2A(H2AA,H2AB,H2AC), C2B(H2BA,H2BB,H2BC), C8(H8A,H8B,H8C), C4(H4A,
 H4B,H4C)
;
_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 3.887
_oxdiff_exptl_absorpt_empirical_full_min 0.600
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'
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 0.56739(3) 0.41196(3) 0.07693(2) 0.03685(16) Uani 1 1 d . . . . .
Ag2 Ag 0.58845(3) 0.61757(4) 0.08159(3) 0.0492(2) Uani 1 1 d . U . . .
Ag3 Ag 0.68779(2) 0.52164(3) 0.07345(2) 0.03390(15) Uani 1 1 d . . . . .
Ag4 Ag 0.78051(3) 0.43678(4) -0.00425(2) 0.03716(16) Uani 1 1 d . . . . .
Ag5 Ag 0.78795(3) 0.63231(4) -0.00121(2) 0.03911(16) Uani 1 1 d . . . . .
Ag6 Ag 0.76645(3) 0.77936(4) -0.08827(2) 0.03984(16) Uani 1 1 d . . . . .
Ag7 Ag 0.65762(3) 0.76147(4) 0.00227(2) 0.04584(18) Uani 1 1 d . . . . .
Ag8 Ag 0.89010(3) 0.76231(3) 0.00235(2) 0.03736(16) Uani 1 1 d . . . . .
S1 S 0.60920(7) 0.50823(9) 0.10931(6) 0.0247(4) Uani 1 1 d . . . . .
S2 S 0.76968(8) 0.53328(11) 0.04560(7) 0.0298(4) Uani 1 1 d . . . . .
S3 S 0.83160(8) 0.71233(10) -0.04990(7) 0.0293(4) Uani 1 1 d . . . . .
S4 S 0.69817(7) 0.84037(11) -0.05040(7) 0.0294(4) Uani 1 1 d . . . . .
S5 S 0.58723(9) 0.72778(10) 0.04878(8) 0.0343(5) Uani 1 1 d . . . . .
S6 S 0.95251(8) 0.79823(10) 0.05620(8) 0.0306(4) Uani 1 1 d . . . . .
N1 N 0.7392(5) 0.7364(6) 0.0495(4) 0.070(3) Uani 1 1 d . . . . .
C5 C 0.7592(5) 0.7702(6) 0.0758(4) 0.057(3) Uani 1 1 d . . . . .
C6 C 0.7837(6) 0.8128(8) 0.1079(5) 0.080(4) Uani 1 1 d . . . . .
H6A H 0.7965 0.8510 0.0907 0.120 Uiso 1 1 calc GR . . . .
H6B H 0.8101 0.7886 0.1229 0.120 Uiso 1 1 calc GR . . . .
H6C H 0.7613 0.8282 0.1323 0.120 Uiso 1 1 calc GR . . . .
C9 C 0.6163(4) 0.5045(5) 0.1761(3) 0.038(2) Uani 1 1 d . . . . .
C10 C 0.5665(5) 0.5090(9) 0.1986(4) 0.077(5) Uani 1 1 d . . . . .
H10A H 0.5513 0.5508 0.1896 0.115 Uiso 1 1 calc GR . . . .
H10B H 0.5696 0.5070 0.2331 0.115 Uiso 1 1 calc GR . . . .
H10C H 0.5468 0.4720 0.1877 0.115 Uiso 1 1 calc GR . . . .
C11 C 0.6415(7) 0.4398(9) 0.1889(4) 0.091(5) Uani 1 1 d . U . . .
H11A H 0.6176 0.4069 0.1983 0.137 Uiso 1 1 calc GR . . . .
H11B H 0.6637 0.4476 0.2152 0.137 Uiso 1 1 calc GR . . . .
H11C H 0.6594 0.4235 0.1615 0.137 Uiso 1 1 calc GR . . . .
C12 C 0.6473(7) 0.5641(9) 0.1912(5) 0.089(5) Uani 1 1 d . U . . .
H12A H 0.6805 0.5568 0.1813 0.134 Uiso 1 1 calc GR . . . .
H12B H 0.6461 0.5688 0.2257 0.134 Uiso 1 1 calc GR . . . .
H12C H 0.6349 0.6044 0.1764 0.134 Uiso 1 1 calc GR . . . .
C13 C 0.8155(3) 0.5311(5) 0.0954(3) 0.0347(19) Uani 1 1 d . . . . .
C14 C 0.8089(5) 0.4659(6) 0.1236(5) 0.059(3) Uani 1 1 d . . . . .
H14A H 0.7765 0.4644 0.1370 0.089 Uiso 1 1 calc GR . . . .
H14B H 0.8326 0.4639 0.1491 0.089 Uiso 1 1 calc GR . . . .
H14C H 0.8134 0.4281 0.1024 0.089 Uiso 1 1 calc GR . . . .
C15 C 0.8060(5) 0.5918(6) 0.1278(4) 0.058(3) Uani 1 1 d . . . . .
H15A H 0.8093 0.6325 0.1093 0.088 Uiso 1 1 calc GR . . . .
H15B H 0.8293 0.5920 0.1538 0.088 Uiso 1 1 calc GR . . . .
H15C H 0.7735 0.5891 0.1407 0.088 Uiso 1 1 calc GR . . . .
C16 C 0.8664(4) 0.5344(6) 0.0725(4) 0.049(3) Uani 1 1 d . . . . .
H16A H 0.8709 0.4962 0.0517 0.074 Uiso 1 1 calc GR . . . .
H16B H 0.8908 0.5338 0.0974 0.074 Uiso 1 1 calc GR . . . .
H16C H 0.8693 0.5752 0.0541 0.074 Uiso 1 1 calc GR . . . .
C17 C 0.8682(3) 0.6636(4) -0.0953(3) 0.0333(19) Uani 1 1 d D . . . .
C18 C 0.9047(4) 0.6191(5) -0.0683(4) 0.047(2) Uani 1 1 d D . . . .
H18A H 0.9296 0.6469 -0.0540 0.071 Uiso 1 1 calc GR . . . .
H18B H 0.9196 0.5880 -0.0904 0.071 Uiso 1 1 calc GR . . . .
H18C H 0.8880 0.5944 -0.0435 0.071 Uiso 1 1 calc GR . . . .
C19 C 0.8332(4) 0.6210(5) -0.1250(4) 0.051(3) Uani 1 1 d D . . . .
H19A H 0.8162 0.5902 -0.1042 0.077 Uiso 1 1 calc GR . . . .
H19B H 0.8513 0.5959 -0.1487 0.077 Uiso 1 1 calc GR . . . .
H19C H 0.8101 0.6498 -0.1409 0.077 Uiso 1 1 calc GR . . . .
C20 C 0.8949(4) 0.7148(5) -0.1265(3) 0.041(2) Uani 1 1 d D . . . .
H20A H 0.8715 0.7409 -0.1444 0.062 Uiso 1 1 calc GR . . . .
H20B H 0.9162 0.6917 -0.1486 0.062 Uiso 1 1 calc GR . . . .
H20C H 0.9139 0.7442 -0.1064 0.062 Uiso 1 1 calc GR . . . .
C21 C 0.6513(3) 0.8697(4) -0.0952(3) 0.0339(19) Uani 1 1 d D . . . .
C22 C 0.6277(5) 0.8067(5) -0.1158(4) 0.059(3) Uani 1 1 d D . . . .
H22A H 0.6141 0.7802 -0.0901 0.089 Uiso 1 1 calc GR . . . .
H22B H 0.6519 0.7806 -0.1327 0.089 Uiso 1 1 calc GR . . . .
H22C H 0.6021 0.8194 -0.1378 0.089 Uiso 1 1 calc GR . . . .
C23 C 0.6127(4) 0.9115(7) -0.0688(4) 0.058(3) Uani 1 1 d D . . . .
H23A H 0.6267 0.9539 -0.0592 0.087 Uiso 1 1 calc GR . . . .
H23B H 0.6017 0.8874 -0.0408 0.087 Uiso 1 1 calc GR . . . .
H23C H 0.5855 0.9195 -0.0900 0.087 Uiso 1 1 calc GR . . . .
C24 C 0.6779(4) 0.9113(6) -0.1331(4) 0.051(3) Uani 1 1 d D . . . .
H24A H 0.7003 0.8830 -0.1505 0.077 Uiso 1 1 calc GR . . . .
H24B H 0.6956 0.9472 -0.1177 0.077 Uiso 1 1 calc GR . . . .
H24C H 0.6545 0.9301 -0.1552 0.077 Uiso 1 1 calc GR . . . .
C25 C 0.5788(3) 0.7927(5) 0.0960(3) 0.043(2) Uani 1 1 d D . . . .
C26 C 0.6210(5) 0.7867(9) 0.1313(5) 0.090(5) Uani 1 1 d D . . . .
H26A H 0.6512 0.7841 0.1138 0.135 Uiso 1 1 calc GR . . . .
H26B H 0.6169 0.7467 0.1504 0.135 Uiso 1 1 calc GR . . . .
H26C H 0.6214 0.8255 0.1520 0.135 Uiso 1 1 calc GR . . . .
C27 C 0.5291(4) 0.7838(7) 0.1195(5) 0.071(4) Uani 1 1 d D . . . .
H27A H 0.5251 0.7376 0.1292 0.106 Uiso 1 1 calc GR . . . .
H27B H 0.5039 0.7956 0.0969 0.106 Uiso 1 1 calc GR . . . .
H27C H 0.5268 0.8125 0.1473 0.106 Uiso 1 1 calc GR . . . .
C28 C 0.5808(8) 0.8619(5) 0.0716(5) 0.094(6) Uani 1 1 d D . . . .
H28A H 0.5512 0.8692 0.0538 0.140 Uiso 1 1 calc GR . . . .
H28B H 0.6083 0.8635 0.0501 0.140 Uiso 1 1 calc GR . . . .
H28C H 0.5842 0.8963 0.0958 0.140 Uiso 1 1 calc GR . . . .
C29 C 0.9559(3) 0.7377(5) 0.1069(4) 0.050(3) Uani 1 1 d D . . . .
C30 C 0.9055(4) 0.7291(9) 0.1288(6) 0.093(5) Uani 1 1 d D U . . .
H30A H 0.8812 0.7444 0.1063 0.140 Uiso 1 1 calc GR . . . .
H30B H 0.9033 0.7550 0.1579 0.140 Uiso 1 1 calc GR . . . .
H30C H 0.9000 0.6823 0.1359 0.140 Uiso 1 1 calc GR . . . .
C31 C 0.9726(8) 0.6696(6) 0.0864(7) 0.115(7) Uani 1 1 d D . . . .
H31A H 0.9461 0.6491 0.0690 0.172 Uiso 1 1 calc GR . . . .
H31B H 0.9824 0.6405 0.1123 0.172 Uiso 1 1 calc GR . . . .
H31C H 0.9998 0.6765 0.0650 0.172 Uiso 1 1 calc GR . . . .
C32 C 0.9956(6) 0.7613(9) 0.1411(5) 0.095(5) Uani 1 1 d D U . . .
H32A H 1.0244 0.7729 0.1231 0.143 Uiso 1 1 calc GR . . . .
H32B H 1.0033 0.7258 0.1635 0.143 Uiso 1 1 calc GR . . . .
H32C H 0.9843 0.8002 0.1586 0.143 Uiso 1 1 calc GR . . . .
Ag9B Ag 1.02018(7) 0.7859(3) 0.00277(5) 0.0425(7) Uani 0.717(13) 1 d . . . A 1
N4A N 0.7371(7) 0.7477(11) -0.1664(6) 0.057(5) Uani 0.5 1 d D . . B 1
C1A C 0.7096(7) 0.7344(12) -0.1943(6) 0.048(5) Uani 0.5 1 d D . . B 1
C2A C 0.6702(6) 0.7195(10) -0.2326(6) 0.040(4) Uani 0.5 1 d D . . B 1
H2AA H 0.6769 0.7452 -0.2612 0.060 Uiso 0.5 1 calc GR . . B 1
H2AB H 0.6386 0.7317 -0.2201 0.060 Uiso 0.5 1 calc GR . . B 1
H2AC H 0.6705 0.6722 -0.2403 0.060 Uiso 0.5 1 calc GR . . B 1
Ag9A Ag 1.01462(15) 0.7508(7) 0.00488(11) 0.039(2) Uani 0.283(13) 1 d . . . A 2
N4B N 0.7703(7) 0.7701(9) -0.1702(5) 0.046(4) Uani 0.5 1 d D U . B 2
C1B C 0.7908(7) 0.7727(10) -0.2040(6) 0.045(5) Uani 0.5 1 d D . . B 2
C2B C 0.8240(7) 0.7773(9) -0.2478(6) 0.034(4) Uani 0.5 1 d D . . B 2
H2BA H 0.8050 0.7893 -0.2757 0.050 Uiso 0.5 1 calc GR . . B 2
H2BB H 0.8395 0.7344 -0.2532 0.050 Uiso 0.5 1 calc GR . . B 2
H2BC H 0.8487 0.8110 -0.2423 0.050 Uiso 0.5 1 calc GR . . B 2
N2 N 1.0002(14) 0.6265(19) 0.0111(14) 0.119(11) Uani 0.5 1 d . U . A -1
C7 C 1.0003(11) 0.5698(12) 0.0058(10) 0.068(7) Uani 0.5 1 d D U . A -1
C8 C 0.9874(10) 0.4974(14) 0.0001(14) 0.062(8) Uani 0.5 1 d D U . A -1
H8A H 1.0012 0.4805 -0.0294 0.093 Uiso 0.5 1 calc GR . . A -1
H8B H 0.9524 0.4927 -0.0009 0.093 Uiso 0.5 1 calc GR . . A -1
H8C H 1.0002 0.4722 0.0269 0.093 Uiso 0.5 1 calc GR . . A -1
Mo1 Mo 0.67084(3) 0.45803(4) -0.15210(2) 0.03847(18) Uani 1 1 d . . . . .
Mo2 Mo 0.64733(2) 0.43276(3) -0.03801(2) 0.02640(14) Uani 1 1 d . . . . .
Mo3 Mo 0.56158(3) 0.54772(4) -0.04273(3) 0.0413(2) Uani 1 1 d . . . . .
Mo4 Mo 0.58477(3) 0.57344(4) -0.15725(2) 0.03119(16) Uani 1 1 d . . . . .
Mo5 Mo 0.67263(3) 0.58574(4) -0.07723(3) 0.03750(18) Uani 1 1 d . . . . .
Mo6 Mo 0.55933(3) 0.42118(4) -0.11783(3) 0.0448(2) Uani 1 1 d . . . . .
O1 O 0.61662(19) 0.5029(3) -0.09632(17) 0.0220(11) Uani 1 1 d . . . . .
O2 O 0.5932(2) 0.4820(3) -0.0056(2) 0.0345(14) Uani 1 1 d . . . . .
O3 O 0.5250(3) 0.4778(4) -0.0738(3) 0.0520(19) Uani 1 1 d . . . . .
O4 O 0.5485(3) 0.5974(4) -0.1033(2) 0.0454(17) Uani 1 1 d . . . . .
O5 O 0.6164(3) 0.6056(3) -0.0357(2) 0.0471(18) Uani 1 1 d . . . . .
O6 O 0.6840(2) 0.5123(3) -0.0290(2) 0.0377(15) Uani 1 1 d . . . . .
O7 O 0.5928(3) 0.3809(3) -0.0651(2) 0.0408(15) Uani 1 1 d . . . . .
O8 O 0.5490(3) 0.4938(4) -0.1649(3) 0.0474(17) Uani 1 1 d . . . . .
O9 O 0.6390(3) 0.6257(3) -0.1285(2) 0.0393(15) Uani 1 1 d . . . . .
O10 O 0.7077(2) 0.5295(4) -0.1208(2) 0.0439(16) Uani 1 1 d . . . . .
O11 O 0.6842(3) 0.4075(3) -0.0909(2) 0.0412(15) Uani 1 1 d . . . . .
O12 O 0.6154(3) 0.3999(3) -0.1575(2) 0.0493(19) Uani 1 1 d . . . . .
O13 O 0.6396(3) 0.5242(3) -0.1882(2) 0.0408(15) Uani 1 1 d . . . . .
O14 O 0.6677(2) 0.3829(3) 0.0072(2) 0.0375(14) Uani 1 1 d . . . . .
O15 O 0.5165(4) 0.3644(5) -0.1337(4) 0.083(3) Uani 1 1 d . . . . .
O16 O 0.5660(3) 0.6243(4) -0.2016(2) 0.0478(17) Uani 1 1 d . . . . .
O17 O 0.7134(4) 0.6450(4) -0.0591(3) 0.072(3) Uani 1 1 d . . . . .
O18 O 0.5211(4) 0.5826(5) -0.0049(3) 0.076(3) Uani 1 1 d . . . . .
O19 O 0.7111(4) 0.4233(5) -0.1908(3) 0.069(3) Uani 1 1 d . . . . .
Mo7 Mo 0.94024(3) 0.41866(5) 0.25144(3) 0.0452(2) Uani 1 1 d . . . . .
Mo8 Mo 0.99847(3) 0.50108(4) 0.16672(2) 0.03726(18) Uani 1 1 d . . . . .
Mo9 Mo 0.94017(5) 0.58397(5) 0.25139(3) 0.0677(3) Uani 1 1 d . . . . .
O20 O 1.0000 0.5014(4) 0.2500 0.0280(18) Uani 1 2 d S T P . .
O21 O 0.9044(3) 0.5021(5) 0.2544(3) 0.063(2) Uani 1 1 d . . . . .
O22 O 1.0000 0.3681(5) 0.2500 0.050(3) Uani 1 2 d S T P . .
O23 O 0.9489(3) 0.4355(4) 0.1839(2) 0.0517(18) Uani 1 1 d . . . . .
O24 O 0.9490(3) 0.5671(4) 0.1839(3) 0.065(3) Uani 1 1 d . . . . .
O25 O 1.0453(3) 0.4339(4) 0.1804(2) 0.0433(16) Uani 1 1 d . . . . .
O26 O 1.0000 0.6348(5) 0.2500 0.079(5) Uani 1 2 d S T P . .
O27 O 1.0454(3) 0.5681(4) 0.1809(3) 0.056(2) Uani 1 1 d . . . . .
O28 O 0.9959(3) 0.5008(5) 0.1064(3) 0.063(2) Uani 1 1 d . . . . .
O29 O 0.8970(5) 0.6434(6) 0.2537(4) 0.124(6) Uani 1 1 d . . . . .
O30 O 0.8967(4) 0.3593(6) 0.2539(3) 0.092(4) Uani 1 1 d . . . . .
N3 N 0.7621(7) 0.6290(11) -0.2805(7) 0.133(7) Uani 1 1 d . . . . .
C3 C 0.7723(6) 0.5813(11) -0.2586(6) 0.085(5) Uani 1 1 d . . . . .
C4 C 0.7871(8) 0.5246(11) -0.2332(7) 0.109(6) Uani 1 1 d . U . . .
H4A H 0.7731 0.4851 -0.2478 0.164 Uiso 1 1 calc GR . . . .
H4B H 0.7762 0.5281 -0.2004 0.164 Uiso 1 1 calc GR . . . .
H4C H 0.8221 0.5214 -0.2340 0.164 Uiso 1 1 calc GR . . . .
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'
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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S6 Ag1 S1 161.66(8) 7_755 . ?
S1 Ag2 Ag3 45.79(5) . . ?
S5 Ag2 Ag3 120.91(7) . . ?
S5 Ag2 S1 166.60(9) . . ?
S1 Ag3 Ag2 45.45(5) . . ?
S2 Ag3 Ag2 137.35(6) . . ?
S2 Ag3 S1 174.17(7) . . ?
S4 Ag4 S2 172.65(8) 7_755 . ?
S3 Ag5 S2 161.04(8) . . ?
S4 Ag6 S3 128.99(7) . . ?
N4A Ag6 S3 119.4(5) . . ?
N4A Ag6 S4 105.2(5) . . ?
N4B Ag6 S3 110.7(5) . . ?
N4B Ag6 S4 120.0(5) . . ?
S4 Ag7 S5 150.59(8) . . ?
S4 Ag7 N1 92.0(3) . . ?
S5 Ag7 N1 110.9(3) . . ?
S3 Ag8 S6 172.72(8) . . ?
Ag2 S1 Ag1 119.50(8) . . ?
Ag2 S1 Ag3 88.76(7) . . ?
Ag3 S1 Ag1 111.23(8) . . ?
C9 S1 Ag1 113.0(3) . . ?
C9 S1 Ag2 112.6(3) . . ?
C9 S1 Ag3 109.0(3) . . ?
Ag3 S2 Ag4 103.17(8) . . ?
Ag3 S2 Ag5 116.71(9) . . ?
Ag4 S2 Ag5 108.46(8) . . ?
C13 S2 Ag3 112.9(3) . . ?
C13 S2 Ag4 109.2(3) . . ?
C13 S2 Ag5 106.2(3) . . ?
Ag5 S3 Ag6 103.89(8) . . ?
Ag8 S3 Ag5 105.49(8) . . ?
Ag8 S3 Ag6 121.70(9) . . ?
C17 S3 Ag5 107.6(2) . . ?
C17 S3 Ag6 111.9(3) . . ?
C17 S3 Ag8 105.4(3) . . ?
Ag4 S4 Ag6 116.11(9) 7_765 . ?
Ag4 S4 Ag7 107.97(8) 7_765 . ?
Ag7 S4 Ag6 106.79(8) . . ?
C21 S4 Ag4 105.9(3) . 7_765 ?
C21 S4 Ag6 112.8(3) . . ?
C21 S4 Ag7 106.8(2) . . ?
Ag2 S5 Ag7 116.75(10) . . ?
Ag2 S5 Ag9A 113.2(3) . 3_465 ?
Ag7 S5 Ag9A 105.44(13) . 3_465 ?
C25 S5 Ag2 111.8(3) . . ?
C25 S5 Ag7 106.6(3) . . ?
C25 S5 Ag9B 114.6(3) . 3_465 ?
C25 S5 Ag9A 101.8(4) . 3_465 ?
Ag9B S5 Ag2 97.99(15) 3_465 . ?
Ag9B S5 Ag7 109.28(9) 3_465 . ?
Ag1 S6 Ag9A 132.2(3) 7_765 . ?
Ag8 S6 Ag1 105.69(8) . 7_765 ?
Ag8 S6 Ag9B 97.80(10) . . ?
Ag8 S6 Ag9A 91.02(16) . . ?
C29 S6 Ag1 116.1(3) . 7_765 ?
C29 S6 Ag8 108.6(3) . . ?
C29 S6 Ag9B 111.5(3) . . ?
C29 S6 Ag9A 99.2(4) . . ?
Ag9B S6 Ag1 115.04(15) . 7_765 ?
C5 N1 Ag7 128.2(10) . . ?
N1 C5 C6 179.2(15) . . ?
C10 C9 S1 108.5(7) . . ?
C10 C9 C12 110.3(12) . . ?
C11 C9 S1 108.5(7) . . ?
C11 C9 C10 111.6(12) . . ?
C11 C9 C12 110.1(12) . . ?
C12 C9 S1 107.7(8) . . ?
C14 C13 S2 108.7(7) . . ?
C14 C13 C15 110.4(9) . . ?
C14 C13 C16 110.9(9) . . ?
C15 C13 S2 107.7(7) . . ?
C15 C13 C16 111.5(9) . . ?
C16 C13 S2 107.6(7) . . ?
C18 C17 S3 108.4(6) . . ?
C19 C17 S3 108.3(6) . . ?
C19 C17 C18 110.9(8) . . ?
C19 C17 C20 111.4(8) . . ?
C20 C17 S3 107.1(6) . . ?
C20 C17 C18 110.6(8) . . ?
C22 C21 S4 106.5(6) . . ?
C22 C21 C23 109.4(9) . . ?
C22 C21 C24 112.8(8) . . ?
C23 C21 S4 108.9(6) . . ?
C24 C21 S4 107.5(6) . . ?
C24 C21 C23 111.5(8) . . ?
C26 C25 S5 107.9(7) . . ?
C26 C25 C27 113.3(11) . . ?
C26 C25 C28 109.2(12) . . ?
C27 C25 S5 109.5(7) . . ?
C27 C25 C28 109.0(11) . . ?
C28 C25 S5 107.8(7) . . ?
C30 C29 S6 109.4(7) . . ?
C30 C29 C31 108.6(12) . . ?
C31 C29 S6 107.7(8) . . ?
C32 C29 S6 108.2(8) . . ?
C32 C29 C30 115.7(12) . . ?
C32 C29 C31 106.9(13) . . ?
S5 Ag9B S6 178.9(2) 3_565 . ?
S5 Ag9B N2 93.6(7) 3_565 . ?
S6 Ag9B N2 85.6(7) . . ?
C1A N4A Ag6 156.9(18) . . ?
N4A C1A C2A 177(2) . . ?
S6 Ag9A S5 147.2(6) . 3_565 ?
C1B N4B Ag6 150.9(19) . . ?
N4B C1B C2B 174(2) . . ?
C7 N2 Ag9B 165(3) . . ?
N2 C7 C8 166(4) . . ?
O10 Mo1 O1 75.8(2) . . ?
O10 Mo1 O11 83.8(3) . . ?
O11 Mo1 O1 75.2(2) . . ?
O12 Mo1 O1 77.1(3) . . ?
O12 Mo1 O10 152.4(3) . . ?
O12 Mo1 O11 84.8(3) . . ?
O13 Mo1 O1 78.2(2) . . ?
O13 Mo1 O10 88.0(3) . . ?
O13 Mo1 O11 153.3(3) . . ?
O13 Mo1 O12 91.1(3) . . ?
O19 Mo1 O1 177.7(3) . . ?
O19 Mo1 O10 104.1(4) . . ?
O19 Mo1 O11 102.5(3) . . ?
O19 Mo1 O12 102.9(4) . . ?
O19 Mo1 O13 104.2(3) . . ?
O2 Mo2 O1 75.4(2) . . ?
O6 Mo2 O1 77.3(2) . . ?
O6 Mo2 O2 85.7(3) . . ?
O6 Mo2 O7 153.3(3) . . ?
O7 Mo2 O1 76.6(2) . . ?
O7 Mo2 O2 82.2(3) . . ?
O11 Mo2 O1 78.7(2) . . ?
O11 Mo2 O2 153.8(3) . . ?
O11 Mo2 O6 92.4(3) . . ?
O11 Mo2 O7 88.2(3) . . ?
O14 Mo2 O1 176.7(3) . . ?
O14 Mo2 O2 101.3(3) . . ?
O14 Mo2 O6 102.4(3) . . ?
O14 Mo2 O7 103.2(3) . . ?
O14 Mo2 O11 104.6(3) . . ?
O2 Mo3 O1 77.5(2) . . ?
O2 Mo3 O3 89.1(3) . . ?
O2 Mo3 O4 153.6(3) . . ?
O2 Mo3 O5 90.0(3) . . ?
O3 Mo3 O1 76.7(3) . . ?
O3 Mo3 O4 83.4(3) . . ?
O4 Mo3 O1 76.2(2) . . ?
O5 Mo3 O1 77.5(2) . . ?
O5 Mo3 O3 153.7(3) . . ?
O5 Mo3 O4 85.9(3) . . ?
O18 Mo3 O1 178.1(3) . . ?
O18 Mo3 O2 104.4(3) . . ?
O18 Mo3 O3 103.7(5) . . ?
O18 Mo3 O4 102.0(3) . . ?
O18 Mo3 O5 102.0(5) . . ?
O4 Mo4 O1 76.8(2) . . ?
O4 Mo4 O8 91.6(4) . . ?
O4 Mo4 O9 86.6(3) . . ?
O4 Mo4 O13 151.4(3) . . ?
O8 Mo4 O1 77.0(2) . . ?
O8 Mo4 O9 151.8(3) . . ?
O8 Mo4 O13 86.0(3) . . ?
O9 Mo4 O1 75.2(2) . . ?
O9 Mo4 O13 82.3(3) . . ?
O13 Mo4 O1 74.9(2) . . ?
O16 Mo4 O1 176.2(3) . . ?
O16 Mo4 O4 106.0(3) . . ?
O16 Mo4 O8 105.3(3) . . ?
O16 Mo4 O9 102.2(3) . . ?
O16 Mo4 O13 102.1(3) . . ?
O5 Mo5 O1 76.0(2) . . ?
O5 Mo5 O6 82.8(3) . . ?
O6 Mo5 O1 74.8(2) . . ?
O9 Mo5 O1 78.5(2) . . ?
O9 Mo5 O5 88.7(3) . . ?
O9 Mo5 O6 153.3(3) . . ?
O9 Mo5 O10 90.8(3) . . ?
O10 Mo5 O1 76.8(2) . . ?
O10 Mo5 O5 152.3(3) . . ?
O10 Mo5 O6 85.4(3) . . ?
O17 Mo5 O1 175.9(3) . . ?
O17 Mo5 O5 101.6(4) . . ?
O17 Mo5 O6 101.7(3) . . ?
O17 Mo5 O9 104.8(3) . . ?
O17 Mo5 O10 105.2(4) . . ?
O3 Mo6 O1 75.9(3) . . ?
O3 Mo6 O8 85.6(3) . . ?
O3 Mo6 O12 152.1(3) . . ?
O7 Mo6 O1 76.8(2) . . ?
O7 Mo6 O3 89.5(3) . . ?
O7 Mo6 O8 152.7(3) . . ?
O7 Mo6 O12 88.0(3) . . ?
O8 Mo6 O1 76.0(2) . . ?
O12 Mo6 O1 76.4(2) . . ?
O12 Mo6 O8 84.0(3) . . ?
O15 Mo6 O1 178.0(4) . . ?
O15 Mo6 O3 102.7(5) . . ?
O15 Mo6 O7 104.8(4) . . ?
O15 Mo6 O8 102.5(4) . . ?
O15 Mo6 O12 104.9(5) . . ?
Mo1 O1 Mo4 89.16(17) . . ?
Mo1 O1 Mo6 89.54(18) . . ?
Mo2 O1 Mo1 90.22(18) . . ?
Mo2 O1 Mo3 91.03(17) . . ?
Mo2 O1 Mo4 179.0(3) . . ?
Mo2 O1 Mo5 91.54(18) . . ?
Mo2 O1 Mo6 90.28(19) . . ?
Mo3 O1 Mo1 178.5(3) . . ?
Mo3 O1 Mo4 89.58(18) . . ?
Mo3 O1 Mo5 90.63(19) . . ?
Mo3 O1 Mo6 89.67(19) . . ?
Mo5 O1 Mo1 90.12(19) . . ?
Mo5 O1 Mo4 89.29(18) . . ?
Mo5 O1 Mo6 178.2(2) . . ?
Mo6 O1 Mo4 88.89(17) . . ?
Mo3 O2 Mo2 116.0(3) . . ?
Mo6 O3 Mo3 117.3(4) . . ?
Mo4 O4 Mo3 117.4(3) . . ?
Mo3 O5 Mo5 115.9(3) . . ?
Mo2 O6 Mo5 116.0(3) . . ?
Mo6 O7 Mo2 116.2(3) . . ?
Mo4 O8 Mo6 117.9(3) . . ?
Mo5 O9 Mo4 117.0(3) . . ?
Mo5 O10 Mo1 116.7(3) . . ?
Mo2 O11 Mo1 115.9(3) . . ?
Mo1 O12 Mo6 117.0(3) . . ?
Mo1 O13 Mo4 117.5(3) . . ?
O21 Mo7 O20 75.6(3) . . ?
O21 Mo7 O25 86.0(3) . 4_755 ?
O22 Mo7 O20 76.6(3) . . ?
O22 Mo7 O21 152.1(4) . . ?
O22 Mo7 O23 88.0(3) . . ?
O22 Mo7 O25 85.9(2) . 4_755 ?
O23 Mo7 O20 76.8(2) . . ?
O23 Mo7 O21 87.4(3) . . ?
O23 Mo7 O25 153.2(3) . 4_755 ?
O25 Mo7 O20 76.39(19) 4_755 . ?
O30 Mo7 O20 178.6(3) . . ?
O30 Mo7 O21 103.9(5) . . ?
O30 Mo7 O22 103.9(5) . . ?
O30 Mo7 O23 104.5(4) . . ?
O30 Mo7 O25 102.3(4) . 4_755 ?
O23 Mo8 O20 76.6(2) . . ?
O23 Mo8 O24 84.5(4) . . ?
O24 Mo8 O20 76.4(3) . . ?
O25 Mo8 O20 77.8(2) . . ?
O25 Mo8 O23 87.2(3) . . ?
O25 Mo8 O24 154.1(3) . . ?
O25 Mo8 O27 89.7(4) . . ?
O27 Mo8 O20 77.2(2) . . ?
O27 Mo8 O23 153.6(3) . . ?
O27 Mo8 O24 87.0(4) . . ?
O28 Mo8 O20 178.6(3) . . ?
O28 Mo8 O23 102.4(4) . . ?
O28 Mo8 O24 102.6(4) . . ?
O28 Mo8 O25 103.1(4) . . ?
O28 Mo8 O27 103.8(4) . . ?
O21 Mo9 O20 76.1(3) . . ?
O21 Mo9 O24 87.6(4) . . ?
O21 Mo9 O26 152.7(4) . . ?
O21 Mo9 O27 85.7(4) . 4_755 ?
O24 Mo9 O20 76.8(2) . . ?
O24 Mo9 O26 88.0(3) . . ?
O24 Mo9 O27 152.8(3) . 4_755 ?
O26 Mo9 O20 76.7(3) . . ?
O26 Mo9 O27 86.1(3) . 4_755 ?
O27 Mo9 O20 76.0(2) 4_755 . ?
O29 Mo9 O20 178.7(4) . . ?
O29 Mo9 O21 103.8(6) . . ?
O29 Mo9 O24 104.5(4) . . ?
O29 Mo9 O26 103.5(6) . . ?
O29 Mo9 O27 102.7(4) . 4_755 ?
Mo7 O20 Mo7 89.8(3) 4_755 . ?
Mo8 O20 Mo7 89.64(14) 4_755 . ?
Mo8 O20 Mo7 90.16(14) 4_755 4_755 ?
Mo8 O20 Mo7 89.64(14) . 4_755 ?
Mo8 O20 Mo7 90.16(14) . . ?
Mo8 O20 Mo8 179.7(4) . 4_755 ?
Mo8 O20 Mo9 89.88(14) 4_755 . ?
Mo8 O20 Mo9 89.88(14) . 4_755 ?
Mo8 O20 Mo9 90.32(14) 4_755 4_755 ?
Mo8 O20 Mo9 90.32(14) . . ?
Mo9 O20 Mo7 179.9(3) 4_755 . ?
Mo9 O20 Mo7 90.12(4) 4_755 4_755 ?
Mo9 O20 Mo7 179.9(3) . 4_755 ?
Mo9 O20 Mo7 90.12(4) . . ?
Mo9 O20 Mo9 89.9(3) 4_755 . ?
Mo9 O21 Mo7 118.2(4) . . ?
Mo7 O22 Mo7 117.0(5) . 4_755 ?
Mo7 O23 Mo8 116.4(4) . . ?
Mo9 O24 Mo8 116.5(4) . . ?
Mo8 O25 Mo7 116.2(3) . 4_755 ?
Mo9 O26 Mo9 116.7(5) . 4_755 ?
Mo8 O27 Mo9 116.9(3) . 4_755 ?
N3 C3 C4 177(2) . . ?
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 S1 2.397(2) . ?
Ag1 S6 2.388(2) 7_755 ?
Ag2 Ag3 3.3206(11) . ?
Ag2 S1 2.367(2) . ?
Ag2 S5 2.365(2) . ?
Ag3 S1 2.381(2) . ?
Ag3 S2 2.378(2) . ?
Ag4 S2 2.377(2) . ?
Ag4 S4 2.371(2) 7_755 ?
Ag5 S2 2.404(2) . ?
Ag5 S3 2.399(2) . ?
Ag6 S3 2.462(2) . ?
Ag6 S4 2.458(2) . ?
Ag6 N4A 2.394(14) . ?
Ag6 N4B 2.281(14) . ?
Ag7 S4 2.409(2) . ?
Ag7 S5 2.409(2) . ?
Ag7 N1 2.632(11) . ?
Ag8 S3 2.373(2) . ?
Ag8 S6 2.375(2) . ?
S1 C9 1.862(9) . ?
S2 C13 1.864(9) . ?
S3 C17 1.876(8) . ?
S4 Ag4 2.371(2) 7_765 ?
S4 C21 1.875(9) . ?
S5 C25 1.850(10) . ?
S5 Ag9B 2.339(3) 3_465 ?
S5 Ag9A 2.515(6) 3_465 ?
S6 Ag1 2.388(2) 7_765 ?
S6 C29 1.848(10) . ?
S6 Ag9B 2.381(3) . ?
S6 Ag9A 2.405(4) . ?
N1 C5 1.130(16) . ?
C5 C6 1.397(19) . ?
C9 C10 1.500(15) . ?
C9 C11 1.498(17) . ?
C9 C12 1.511(16) . ?
C13 C14 1.520(14) . ?
C13 C15 1.522(14) . ?
C13 C16 1.530(14) . ?
C17 C18 1.527(8) . ?
C17 C19 1.517(8) . ?
C17 C20 1.520(8) . ?
C21 C22 1.519(8) . ?
C21 C23 1.526(8) . ?
C21 C24 1.521(8) . ?
C25 C26 1.514(9) . ?
C25 C27 1.518(8) . ?
C25 C28 1.528(9) . ?
C29 C30 1.517(7) . ?
C29 C31 1.533(7) . ?
C29 C32 1.515(7) . ?
Ag9B S5 2.339(3) 3_565 ?
Ag9B N2 3.21(4) . ?
N4A C1A 1.109(10) . ?
C1A C2A 1.540(10) . ?
Ag9A S5 2.515(6) 3_565 ?
N4B C1B 1.094(9) . ?
C1B C2B 1.519(9) . ?
N2 C7 1.13(4) . ?
C7 C8 1.486(19) . ?
Mo1 O1 2.318(5) . ?
Mo1 O10 1.943(7) . ?
Mo1 O11 2.003(7) . ?
Mo1 O12 1.909(8) . ?
Mo1 O13 1.856(7) . ?
Mo1 O19 1.684(8) . ?
Mo2 O1 2.291(5) . ?
Mo2 O2 1.985(6) . ?
Mo2 O6 1.883(6) . ?
Mo2 O7 1.960(6) . ?
Mo2 O11 1.849(6) . ?
Mo2 O14 1.690(6) . ?
Mo3 O1 2.292(5) . ?
Mo3 O2 1.871(6) . ?
Mo3 O3 1.912(8) . ?
Mo3 O4 1.978(6) . ?
Mo3 O5 1.896(8) . ?
Mo3 O18 1.674(8) . ?
Mo4 O1 2.358(5) . ?
Mo4 O4 1.856(7) . ?
Mo4 O8 1.868(7) . ?
Mo4 O9 1.977(7) . ?
Mo4 O13 1.983(7) . ?
Mo4 O16 1.670(6) . ?
Mo5 O1 2.305(5) . ?
Mo5 O5 1.960(8) . ?
Mo5 O6 2.000(6) . ?
Mo5 O9 1.867(6) . ?
Mo5 O10 1.903(8) . ?
Mo5 O17 1.694(7) . ?
Mo6 O1 2.329(5) . ?
Mo6 O3 1.904(8) . ?
Mo6 O7 1.898(7) . ?
Mo6 O8 1.964(7) . ?
Mo6 O12 1.931(8) . ?
Mo6 O15 1.682(8) . ?
Mo7 O20 2.313(5) . ?
Mo7 O21 1.923(9) . ?
Mo7 O22 1.915(5) . ?
Mo7 O23 1.916(7) . ?
Mo7 O25 1.954(7) 4_755 ?
Mo7 O30 1.675(8) . ?
Mo8 O20 2.3086(7) . ?
Mo8 O23 1.936(8) . ?
Mo8 O24 1.941(7) . ?
Mo8 O25 1.885(7) . ?
Mo8 O27 1.887(8) . ?
Mo8 O28 1.673(8) . ?
Mo9 O20 2.313(5) . ?
Mo9 O21 1.895(10) . ?
Mo9 O24 1.914(8) . ?
Mo9 O26 1.920(5) . ?
Mo9 O27 1.943(8) 4_755 ?
Mo9 O29 1.669(9) . ?
O20 Mo7 2.313(5) 4_755 ?
O20 Mo8 2.3087(7) 4_755 ?
O20 Mo9 2.313(5) 4_755 ?
O22 Mo7 1.915(5) 4_755 ?
O25 Mo7 1.953(7) 4_755 ?
O26 Mo9 1.920(5) 4_755 ?
O27 Mo9 1.943(8) 4_755 ?
N3 C3 1.16(2) . ?
C3 C4 1.38(3) . ?
