#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/40/2214076.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2214076
loop_
_publ_author_name
'Cao, Yuan'
'Zhang, Jin-Fang'
'Zhang, Chi'
_publ_section_title
;
 A new configuration of the one-dimensional anionic Mo/S/Ag polymer,
 {[Ce(dmac)₇MeOH][Mo₃S₁₂Ag₃]}ₙ (dmac is
 N,N-dimethylacetamide)
;
_journal_coeditor_code           BR2044
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1987
_journal_page_last               m1988
_journal_paper_doi               10.1107/S1600536807027389
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ce (C4 H9 N O)7 (C H4 O)] [Mo3 Ag3 S12]'
_chemical_formula_moiety         'C29 H67 Ce N7 O8 3+, Ag3 Mo3 S12 3-'
_chemical_formula_sum            'C29 H67 Ag3 Ce Mo3 N7 O8 S12'
_chemical_formula_weight         1777.28
_chemical_name_systematic
;
catena-poly[heptakis(N,N'-dimethylacetamide-\kO)(methanol-\kO)cerium(III)
[di-μ₃-sulfido-octa-μ₂-sulfido-disulfidotrisilver(I)trimolybdenum(IV)]]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                96.10(3)
_cell_angle_beta                 98.01(3)
_cell_angle_gamma                101.00(3)
_cell_formula_units_Z            2
_cell_length_a                   12.326(3)
_cell_length_b                   15.089(3)
_cell_length_c                   16.747(3)
_cell_measurement_reflns_used    12323
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.96
_cell_measurement_theta_min      1.24
_cell_volume                     2999.3(12)
_computing_cell_refinement       'SET4 and CELDIM in CAD-4-PC Software'
_computing_data_collection       'CAD-4-PC Software (Enraf--Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0689
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12323
_diffrn_reflns_theta_full        25.96
_diffrn_reflns_theta_max         25.96
_diffrn_reflns_theta_min         1.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.770
_exptl_absorpt_correction_T_max  0.6101
_exptl_absorpt_correction_T_min  0.4937
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(XCAD4; Harms & Wocadlo, 1995)'
_exptl_crystal_colour            black-red
_exptl_crystal_density_diffrn    1.968
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.301
_refine_diff_density_min         -0.869
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     616
_refine_ls_number_reflns         11741
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.065P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1421
_reflns_number_gt                8829
_reflns_number_total             11741
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            br2044.cif
_cod_data_source_block           I
_cod_database_code               2214076
_cod_database_fobs_code          2214076
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce Ce1 0.25569(4) 0.25542(3) 0.26384(3) 0.03690(12) Uani d . 1 A .
Mo Mo3 -0.21526(6) 0.30112(5) 0.57263(4) 0.03952(16) Uani d . 1 . .
Mo Mo1 0.66703(5) 0.23209(5) 0.89485(4) 0.03867(16) Uani d . 1 . .
Mo Mo2 0.22670(6) 0.25434(5) 0.71991(4) 0.03925(16) Uani d . 1 . .
Ag Ag2 0.01230(5) 0.27838(4) 0.63464(4) 0.04257(15) Uani d . 1 . .
Ag Ag1 0.44028(5) 0.23634(5) 0.81193(4) 0.04697(16) Uani d . 1 . .
Ag Ag3 -0.26820(6) 0.27206(4) 0.73640(4) 0.04776(16) Uani d . 1 . .
S S7 0.16012(18) 0.20197(16) 0.59142(13) 0.0483(5) Uani d . 1 . .
S S11 -0.31129(18) 0.38494(15) 0.64026(13) 0.0456(4) Uani d . 1 . .
S S10 -0.18108(19) 0.18235(15) 0.63386(15) 0.0521(5) Uani d . 1 . .
S S6 0.38461(19) 0.35212(15) 0.72524(15) 0.0542(5) Uani d . 1 . .
S S5 0.24748(19) 0.13581(15) 0.78314(16) 0.0533(5) Uani d . 1 . .
S S4 0.58495(19) 0.14711(14) 0.77510(14) 0.0503(5) Uani d . 1 . .
S S12 -0.3167(2) 0.24885(18) 0.45738(14) 0.0579(6) Uani d . 1 . .
S S3 0.5513(2) 0.30032(17) 0.95274(14) 0.0543(5) Uani d . 1 . .
S S8 0.1154(2) 0.32516(16) 0.78014(14) 0.0532(5) Uani d . 1 . .
S S9 -0.0618(2) 0.39019(16) 0.55104(15) 0.0543(5) Uani d . 1 . .
S S2 0.7228(2) 0.14308(16) 0.97578(15) 0.0552(5) Uani d . 1 . .
S S1 0.8153(2) 0.33502(18) 0.88300(15) 0.0600(6) Uani d . 1 . .
O O1 0.2916(6) 0.3164(4) 0.1362(4) 0.0565(15) Uani d D 1 . .
N N1 0.2963(10) 0.3762(10) 0.0245(10) 0.053(4) Uani d P 0.63(3) A 1
C C1 0.3137(15) 0.3835(15) 0.1020(13) 0.062(5) Uani d P 0.63(3) A 1
C C11 0.373(2) 0.4798(16) 0.1453(11) 0.042(5) Uani d P 0.63(3) A 1
H H11A 0.3805 0.4802 0.2031 0.064 Uiso calc PR 0.63(3) A 1
H H11B 0.3289 0.5231 0.1294 0.064 Uiso calc PR 0.63(3) A 1
H H11C 0.4455 0.4958 0.1301 0.064 Uiso calc PR 0.63(3) A 1
C C12 0.244(2) 0.2814(19) -0.0182(19) 0.055(8) Uani d P 0.63(3) A 1
H H12A 0.2288 0.2412 0.0216 0.083 Uiso calc PR 0.63(3) A 1
H H12B 0.2940 0.2601 -0.0509 0.083 Uiso calc PR 0.63(3) A 1
H H12C 0.1748 0.2825 -0.0523 0.083 Uiso calc PR 0.63(3) A 1
C C13 0.323(2) 0.4524(15) -0.0244(16) 0.051(5) Uani d P 0.63(3) A 1
H H13A 0.3429 0.5094 0.0111 0.077 Uiso calc PR 0.63(3) A 1
H H13B 0.2591 0.4525 -0.0641 0.077 Uiso calc PR 0.63(3) A 1
H H13C 0.3851 0.4444 -0.0515 0.077 Uiso calc PR 0.63(3) A 1
N N1' 0.3063(19) 0.4207(14) 0.0662(14) 0.051(7) Uani d PD 0.37(3) A 2
C C1' 0.282(2) 0.3342(13) 0.0651(10) 0.050(8) Uani d PD 0.37(3) A 2
C C11' 0.275(4) 0.275(3) -0.016(2) 0.044(10) Uani d PD 0.37(3) A 2
H H11D 0.2680 0.3115 -0.0592 0.066 Uiso calc PR 0.37(3) A 2
H H11E 0.2107 0.2260 -0.0234 0.066 Uiso calc PR 0.37(3) A 2
H H11F 0.3415 0.2511 -0.0156 0.066 Uiso calc PR 0.37(3) A 2
C C12' 0.338(4) 0.478(3) 0.149(2) 0.072(18) Uani d PD 0.37(3) A 2
H H12D 0.3259 0.4397 0.1904 0.109 Uiso calc PR 0.37(3) A 2
H H12E 0.2921 0.5228 0.1521 0.109 Uiso calc PR 0.37(3) A 2
H H12F 0.4152 0.5081 0.1568 0.109 Uiso calc PR 0.37(3) A 2
C C13' 0.303(4) 0.469(3) -0.0072(18) 0.056(12) Uani d PD 0.37(3) A 2
H H13D 0.3256 0.5339 0.0096 0.084 Uiso calc PR 0.37(3) A 2
H H13E 0.2285 0.4553 -0.0374 0.084 Uiso calc PR 0.37(3) A 2
H H13F 0.3536 0.4501 -0.0410 0.084 Uiso calc PR 0.37(3) A 2
O O2 0.3846(5) 0.1674(4) 0.2114(4) 0.0525(15) Uani d . 1 . .
N N2 0.5164(6) 0.0950(5) 0.1864(5) 0.0509(17) Uani d D 1 . .
C C2 0.4278(7) 0.1245(6) 0.1617(5) 0.049(2) Uani d D 1 A .
C C21 0.3960(7) 0.1166(7) 0.0700(6) 0.055(2) Uani d D 1 . .
H H21A 0.3323 0.1436 0.0572 0.083 Uiso calc R 1 A .
H H21B 0.3777 0.0535 0.0470 0.083 Uiso calc R 1 . .
H H21C 0.4578 0.1478 0.0477 0.083 Uiso calc R 1 . .
C C22 0.5481(9) 0.1043(7) 0.2779(6) 0.069(3) Uani d D 1 A .
H H22A 0.5020 0.1396 0.3032 0.104 Uiso calc R 1 . .
H H22B 0.6254 0.1343 0.2936 0.104 Uiso calc R 1 . .
H H22C 0.5371 0.0449 0.2949 0.104 Uiso calc R 1 . .
C C23 0.5706(8) 0.0382(7) 0.1323(6) 0.063(2) Uani d D 1 A .
H H23A 0.5422 0.0410 0.0764 0.094 Uiso calc R 1 . .
H H23B 0.5541 -0.0239 0.1428 0.094 Uiso calc R 1 . .
H H23C 0.6502 0.0608 0.1427 0.094 Uiso calc R 1 . .
O O3 0.1029(5) 0.3306(5) 0.2131(4) 0.0573(16) Uani d . 1 . .
N N3 -0.0014(7) 0.4207(5) 0.1652(4) 0.0559(19) Uani d . 1 . .
C C3 0.0411(8) 0.3489(6) 0.1572(6) 0.056(2) Uani d . 1 A .
C C31 -0.0048(8) 0.2886(7) 0.0780(6) 0.063(3) Uani d . 1 . .
H H31A 0.0301 0.2369 0.0752 0.094 Uiso calc R 1 A .
H H31B 0.0103 0.3221 0.0337 0.094 Uiso calc R 1 . .
H H31C -0.0843 0.2681 0.0742 0.094 Uiso calc R 1 . .
C C32 0.0317(10) 0.4821(7) 0.2463(6) 0.067(3) Uani d . 1 A .
H H32A 0.0839 0.4583 0.2817 0.101 Uiso calc R 1 . .
H H32B -0.0338 0.4845 0.2708 0.101 Uiso calc R 1 . .
H H32C 0.0659 0.5423 0.2378 0.101 Uiso calc R 1 . .
C C33 -0.0857(9) 0.4431(8) 0.1035(7) 0.066(3) Uani d . 1 A .
H H33A -0.1028 0.3969 0.0570 0.099 Uiso calc R 1 . .
H H33B -0.0566 0.5010 0.0873 0.099 Uiso calc R 1 . .
H H33C -0.1526 0.4462 0.1261 0.099 Uiso calc R 1 . .
O O5 0.1308(6) 0.1204(4) 0.1755(4) 0.0599(17) Uani d . 1 . .
N N5 0.0311(7) -0.0145(5) 0.1339(5) 0.061(2) Uani d . 1 . .
C C5 0.1202(10) 0.0364(8) 0.1709(6) 0.069(3) Uani d . 1 A .
C C51 0.2056(9) -0.0116(6) 0.2111(6) 0.067(3) Uani d . 1 . .
H H51A 0.2697 0.0328 0.2393 0.101 Uiso calc R 1 A .
H H51B 0.2284 -0.0507 0.1704 0.101 Uiso calc R 1 . .
H H51C 0.1731 -0.0474 0.2492 0.101 Uiso calc R 1 . .
C C52 -0.0618(9) 0.0308(6) 0.1024(7) 0.060(2) Uani d . 1 A .
H H52A -0.0365 0.0958 0.1136 0.090 Uiso calc R 1 . .
H H52B -0.1253 0.0126 0.1288 0.090 Uiso calc R 1 . .
H H52C -0.0830 0.0130 0.0447 0.090 Uiso calc R 1 . .
C C53 0.0090(8) -0.1155(7) 0.1205(6) 0.060(2) Uani d . 1 A .
H H53A 0.0732 -0.1359 0.1452 0.090 Uiso calc R 1 . .
H H53B -0.0057 -0.1366 0.0631 0.090 Uiso calc R 1 . .
H H53C -0.0549 -0.1395 0.1444 0.090 Uiso calc R 1 . .
O O6 0.3340(5) 0.1890(4) 0.3810(4) 0.0477(14) Uani d . 1 . .
N N6 0.3873(6) 0.1322(5) 0.4908(4) 0.0523(18) Uani d . 1 . .
C C6 0.3731(8) 0.1975(6) 0.4534(6) 0.053(2) Uani d . 1 A .
C C61 0.4061(8) 0.2932(6) 0.5061(6) 0.064(3) Uani d . 1 . .
H H61A 0.3902 0.3388 0.4730 0.096 Uiso calc R 1 A .
H H61B 0.4846 0.3061 0.5278 0.096 Uiso calc R 1 . .
H H61C 0.3637 0.2936 0.5501 0.096 Uiso calc R 1 . .
C C62 0.3572(9) 0.0382(6) 0.4430(6) 0.061(3) Uani d . 1 A .
H H62A 0.3241 0.0415 0.3882 0.092 Uiso calc R 1 . .
H H62B 0.3048 -0.0006 0.4680 0.092 Uiso calc R 1 . .
H H62C 0.4236 0.0139 0.4421 0.092 Uiso calc R 1 . .
C C63 0.4383(8) 0.1383(7) 0.5773(5) 0.058(2) Uani d . 1 A .
H H63A 0.4560 0.2008 0.6020 0.086 Uiso calc R 1 . .
H H63B 0.5056 0.1147 0.5804 0.086 Uiso calc R 1 . .
H H63C 0.3864 0.1032 0.6056 0.086 Uiso calc R 1 . .
O O7 0.4431(5) 0.3621(4) 0.3000(4) 0.0526(15) Uani d . 1 . .
N N7 0.6201(7) 0.3994(6) 0.2894(5) 0.061(2) Uani d . 1 . .
C C7 0.5409(8) 0.4003(7) 0.3275(6) 0.059(2) Uani d . 1 A .
C C71 0.5676(9) 0.4684(7) 0.4077(6) 0.063(3) Uani d . 1 . .
H H71A 0.4996 0.4708 0.4289 0.094 Uiso calc R 1 A .
H H71B 0.6005 0.5279 0.3967 0.094 Uiso calc R 1 . .
H H71C 0.6191 0.4485 0.4469 0.094 Uiso calc R 1 . .
C C72 0.5890(9) 0.3481(7) 0.2047(6) 0.063(3) Uani d . 1 A .
H H72A 0.5102 0.3221 0.1941 0.094 Uiso calc R 1 . .
H H72B 0.6303 0.3004 0.1999 0.094 Uiso calc R 1 . .
H H72C 0.6068 0.3891 0.1661 0.094 Uiso calc R 1 . .
C C73 0.7404(8) 0.4434(7) 0.3211(6) 0.057(2) Uani d . 1 A .
H H73A 0.7463 0.4767 0.3742 0.086 Uiso calc R 1 . .
H H73B 0.7678 0.4844 0.2848 0.086 Uiso calc R 1 . .
H H73C 0.7842 0.3972 0.3245 0.086 Uiso calc R 1 . .
O O8 0.0996(5) 0.1932(4) 0.3294(4) 0.0537(15) Uani d . 1 . .
N N8 -0.0321(6) 0.0976(5) 0.3725(5) 0.0524(18) Uani d . 1 . .
C C8 0.0026(9) 0.1720(7) 0.3435(6) 0.058(2) Uani d . 1 A .
C C81 -0.0862(8) 0.2282(6) 0.3240(5) 0.052(2) Uani d . 1 . .
H H81A -0.0531 0.2823 0.3035 0.079 Uiso calc R 1 A .
H H81B -0.1150 0.2449 0.3725 0.079 Uiso calc R 1 . .
H H81C -0.1461 0.1928 0.2837 0.079 Uiso calc R 1 . .
C C82 0.0511(8) 0.0383(6) 0.3886(6) 0.054(2) Uani d . 1 A .
H H82A 0.1198 0.0641 0.3710 0.081 Uiso calc R 1 . .
H H82B 0.0215 -0.0216 0.3592 0.081 Uiso calc R 1 . .
H H82C 0.0653 0.0345 0.4458 0.081 Uiso calc R 1 . .
C C83 -0.1457(9) 0.0642(7) 0.3895(7) 0.064(3) Uani d . 1 A .
H H83A -0.1923 0.1061 0.3749 0.096 Uiso calc R 1 . .
H H83B -0.1421 0.0593 0.4465 0.096 Uiso calc R 1 . .
H H83C -0.1766 0.0054 0.3584 0.096 Uiso calc R 1 . .
O O4 0.2456(5) 0.3896(4) 0.3731(4) 0.0509(14) Uani d . 1 . .
C C4 0.1747(8) 0.3940(7) 0.4364(6) 0.060(2) Uani d . 1 A .
H H4A 0.1950 0.4534 0.4679 0.089 Uiso calc R 1 . .
H H4B 0.1854 0.3488 0.4713 0.089 Uiso calc R 1 . .
H H4C 0.0976 0.3826 0.4114 0.089 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O8 Ce1 O2 . . 124.7(2) ?
O8 Ce1 O6 . . 73.1(2) ?
O2 Ce1 O6 . . 75.0(2) ?
O8 Ce1 O3 . . 75.1(2) ?
O2 Ce1 O3 . . 139.8(2) ?
O6 Ce1 O3 . . 143.4(2) ?
O8 Ce1 O1 . . 139.9(2) ?
O2 Ce1 O1 . . 75.7(2) ?
O6 Ce1 O1 . . 145.6(2) ?
O3 Ce1 O1 . . 70.1(2) ?
O8 Ce1 O5 . . 69.2(2) ?
O2 Ce1 O5 . . 75.6(2) ?
O6 Ce1 O5 . . 103.0(2) ?
O3 Ce1 O5 . . 81.9(2) ?
O1 Ce1 O5 . . 86.6(2) ?
O8 Ce1 O7 . . 139.1(2) ?
O2 Ce1 O7 . . 76.0(2) ?
O6 Ce1 O7 . . 81.0(2) ?
O3 Ce1 O7 . . 113.3(2) ?
O1 Ce1 O7 . . 74.8(2) ?
O5 Ce1 O7 . . 149.2(2) ?
O8 Ce1 O4 . . 76.1(2) ?
O2 Ce1 O4 . . 142.9(2) ?
O6 Ce1 O4 . . 84.62(19) ?
O3 Ce1 O4 . . 70.5(2) ?
O1 Ce1 O4 . . 109.1(2) ?
O5 Ce1 O4 . . 140.1(2) ?
O7 Ce1 O4 . . 70.3(2) ?
S12 Mo3 S9 . . 107.79(11) no
S12 Mo3 S11 . . 106.54(9) no
S9 Mo3 S11 . . 108.80(9) no
S12 Mo3 S10 . . 107.68(10) no
S9 Mo3 S10 . . 112.83(9) no
S11 Mo3 S10 . . 112.89(9) no
Ag2 Mo3 Ag3 . . 86.51(4) no
S2 Mo1 S3 . . 107.19(10) no
S2 Mo1 S1 . . 107.36(10) no
S3 Mo1 S1 . . 108.89(11) no
S2 Mo1 S4 . . 108.10(9) no
S3 Mo1 S4 . . 112.48(9) no
S1 Mo1 S4 . . 112.55(10) no
Ag1 Mo1 Ag3 . 1_655 83.24(3) no
S8 Mo2 S6 . . 107.53(10) no
S8 Mo2 S7 . . 113.29(9) no
S6 Mo2 S7 . . 108.06(10) no
S8 Mo2 S5 . . 107.83(10) no
S6 Mo2 S5 . . 113.00(9) no
S7 Mo2 S5 . . 107.24(10) no
Ag2 Mo2 Ag1 . . 177.26(3) no
S7 Ag2 S9 . . 120.29(8) no
S7 Ag2 S10 . . 118.75(8) no
S9 Ag2 S10 . . 93.70(8) no
S7 Ag2 S8 . . 93.32(8) no
S9 Ag2 S8 . . 122.38(8) no
S10 Ag2 S8 . . 110.11(9) no
Mo2 Ag2 Mo3 . . 171.36(3) no
S5 Ag1 S6 . . 93.59(8) no
S5 Ag1 S4 . . 110.62(8) no
S6 Ag1 S4 . . 120.53(9) no
S5 Ag1 S3 . . 125.48(9) no
S6 Ag1 S3 . . 115.81(8) no
S4 Ag1 S3 . . 93.18(8) no
Mo2 Ag1 Mo1 . . 174.07(3) no
S1 Ag3 S11 1_455 . 117.64(8) no
S1 Ag3 S10 1_455 . 127.35(9) no
S11 Ag3 S10 . . 93.57(8) no
S1 Ag3 S4 1_455 1_455 93.65(8) no
S11 Ag3 S4 . 1_455 124.63(8) no
S10 Ag3 S4 . 1_455 102.10(8) no
Mo2 S7 Ag2 . . 77.22(7) ?
Mo3 S11 Ag3 . . 76.66(7) ?
Mo3 S10 Ag2 . . 75.96(8) ?
Mo3 S10 Ag3 . . 76.20(7) ?
Ag2 S10 Ag3 . . 105.48(9) ?
Mo2 S6 Ag1 . . 76.70(8) ?
Mo2 S5 Ag1 . . 76.44(8) ?
Mo1 S4 Ag1 . . 76.06(8) ?
Mo1 S4 Ag3 . 1_655 75.79(7) ?
Ag1 S4 Ag3 . 1_655 101.22(8) ?
Mo1 S3 Ag1 . . 77.02(8) ?
Mo2 S8 Ag2 . . 76.15(8) ?
Mo3 S9 Ag2 . . 76.90(8) ?
Mo1 S1 Ag3 . 1_655 77.08(8) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ce1 O8 . 2.430(6) no
Ce1 O2 . 2.450(6) no
Ce1 O6 . 2.458(5) no
Ce1 O3 . 2.476(7) no
Ce1 O1 . 2.478(6) no
Ce1 O5 . 2.497(6) no
Ce1 O7 . 2.506(6) no
Ce1 O4 . 2.615(6) no
Mo3 S12 . 2.131(2) no
Mo3 S9 . 2.199(3) no
Mo3 S11 . 2.219(2) no
Mo3 S10 . 2.236(2) no
Mo3 Ag2 . 2.9487(12) no
Mo3 Ag3 . 2.9641(11) no
Mo1 S2 . 2.143(2) no
Mo1 S3 . 2.183(3) no
Mo1 S1 . 2.208(2) no
Mo1 S4 . 2.254(3) no
Mo1 Ag1 . 2.9579(12) no
Mo1 Ag3 1_655 2.9646(11) no
Mo2 S8 . 2.181(2) no
Mo2 S6 . 2.191(3) no
Mo2 S7 . 2.197(2) no
Mo2 S5 . 2.211(2) no
Mo2 Ag2 . 2.9290(12) no
Mo2 Ag1 . 2.9343(12) no
Ag2 S7 . 2.483(2) no
Ag2 S9 . 2.525(3) no
Ag2 S10 . 2.540(3) no
Ag2 S8 . 2.545(3) no
Ag1 S5 . 2.516(3) no
Ag1 S6 . 2.520(2) no
Ag1 S4 . 2.534(3) no
Ag1 S3 . 2.545(3) no
Ag3 S1 1_455 2.533(3) no
Ag3 S11 . 2.543(2) no
Ag3 S10 . 2.551(2) no
Ag3 S4 1_455 2.556(2) no
Ag3 Mo1 1_455 2.9646(11) no
S4 Ag3 1_655 2.556(2) no
S1 Ag3 1_655 2.533(3) no
O1 C1 . 1.22(2) ?
O1 C1' . 1.242(15) ?
N1 C1 . 1.28(3) ?
N1 C13 . 1.49(2) ?
N1 C12 . 1.51(3) ?
C1 C11 . 1.55(3) ?
N1' C1' . 1.28(2) ?
N1' C13' . 1.50(2) ?
N1' C12' . 1.51(2) ?
C1' C11' . 1.52(2) ?
O2 C2 . 1.240(10) ?
N2 C2 . 1.288(11) ?
N2 C23 . 1.491(12) ?
N2 C22 . 1.512(12) ?
C2 C21 . 1.518(12) ?
O3 C3 . 1.213(11) ?
N3 C3 . 1.291(12) ?
N3 C33 . 1.474(11) ?
N3 C32 . 1.518(12) ?
C3 C31 . 1.500(12) ?
O5 C5 . 1.243(13) ?
N5 C5 . 1.252(13) ?
N5 C53 . 1.483(12) ?
N5 C52 . 1.505(13) ?
C5 C51 . 1.511(15) ?
O6 C6 . 1.225(11) ?
N6 C6 . 1.248(11) ?
N6 C63 . 1.484(10) ?
N6 C62 . 1.505(11) ?
C6 C61 . 1.561(13) ?
O7 C7 . 1.234(11) ?
N7 C7 . 1.239(13) ?
N7 C73 . 1.500(12) ?
N7 C72 . 1.503(12) ?
C7 C71 . 1.557(14) ?
O8 C8 . 1.239(12) ?
N8 C8 . 1.291(12) ?
N8 C83 . 1.473(13) ?
N8 C82 . 1.500(12) ?
C8 C81 . 1.530(13) ?
O4 C4 . 1.467(12) ?
