#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:23:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179788 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/84/7008489.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_7008489
loop_
_publ_author_name
'Lin, Ping'
'Clegg, William'
'Harrington, Ross W.'
'Henderson, Richard A.'
_publ_section_title
;
 Synthesis and characterization of a Mo/Ag/Rb heterotrimetallic cluster
 with double-cage architecture.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2349
_journal_page_last               2351
_journal_paper_doi               10.1039/b503447g
_journal_year                    2005
_chemical_formula_sum            'C209 H299 Ag24 Mo24 N9 O68 Rb7 S76'
_chemical_formula_weight         11951.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.084(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.707(3)
_cell_length_b                   32.952(6)
_cell_length_c                   27.783(5)
_cell_measurement_reflns_used    9181
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      1.9
_cell_volume                     17123(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX2 CCD diffractometer'
_diffrn_measurement_method       'thin-slice ω scans'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'Daresbury SRS station 9.8'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6778
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            186742
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.95
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        10
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.695
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             11542
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.077
_refine_diff_density_min         -5.333
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1941
_refine_ls_number_reflns         51435
_refine_ls_number_restraints     670
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0760P)²+49.9972P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1281
_refine_ls_wR_factor_ref         0.1387
_reflns_number_gt                41527
_reflns_number_total             51435
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b503447g.txt
_cod_data_source_block           rah112
_cod_original_cell_volume        17124(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7008489
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.52320(2) 0.738731(12) 1.364889(15) 0.02831(8) Uani 1 1 d . . .
Ag2 Ag 0.39978(2) 0.696887(13) 1.420702(15) 0.03273(9) Uani 1 1 d . . .
Ag3 Ag 0.29728(2) 0.772540(14) 1.378039(15) 0.03270(9) Uani 1 1 d . . .
Ag4 Ag 0.40871(2) 0.800035(13) 1.303879(15) 0.03144(8) Uani 1 1 d . . .
Ag5 Ag 0.28949(2) 0.688080(11) 1.308863(14) 0.02702(8) Uani 1 1 d . . .
Ag6 Ag 0.42753(2) 0.705206(13) 1.256983(15) 0.03007(8) Uani 1 1 d . . .
Ag7 Ag 0.04270(2) 0.214869(14) 1.405129(17) 0.03670(9) Uani 1 1 d . . .
Ag8 Ag 0.17681(2) 0.200922(14) 1.465774(16) 0.03680(9) Uani 1 1 d . . .
Ag9 Ag 0.29559(2) 0.246243(12) 1.389143(15) 0.02897(8) Uani 1 1 d . . .
Ag10 Ag 0.17943(2) 0.241045(13) 1.311093(14) 0.03028(8) Uani 1 1 d . . .
Ag11 Ag 0.197046(19) 0.299623(11) 1.467470(13) 0.02522(7) Uani 1 1 d . . .
Ag12 Ag 0.08972(2) 0.316532(13) 1.381765(14) 0.03019(8) Uani 1 1 d . . .
Mo1 Mo 0.40884(2) 0.605590(12) 1.352888(16) 0.02348(8) Uani 1 1 d . . .
Mo2 Mo 0.54298(2) 0.637114(12) 1.321780(15) 0.02087(7) Uani 1 1 d . . .
Mo3 Mo 0.49178(2) 0.836412(13) 1.410623(16) 0.02501(8) Uani 1 1 d . . .
Mo4 Mo 0.40595(2) 0.793306(14) 1.479060(15) 0.02652(9) Uani 1 1 d . . .
Mo5 Mo 0.188268(19) 0.767256(13) 1.267777(13) 0.01976(7) Uani 1 1 d . . .
Mo6 Mo 0.30196(2) 0.772810(13) 1.198819(13) 0.01983(7) Uani 1 1 d . . .
Mo7 Mo 0.22586(2) 0.344669(12) 1.298596(14) 0.02011(7) Uani 1 1 d . . .
Mo8 Mo 0.311545(19) 0.352279(11) 1.384553(13) 0.01753(7) Uani 1 1 d . . .
Mo9 Mo 0.12490(2) 0.138953(13) 1.325276(16) 0.02561(8) Uani 1 1 d . . .
Mo10 Mo 0.25851(2) 0.135355(12) 1.377239(15) 0.02243(8) Uani 1 1 d . . .
Mo11 Mo -0.02586(2) 0.287777(13) 1.487123(14) 0.02144(8) Uani 1 1 d . . .
Mo12 Mo 0.08294(2) 0.258322(13) 1.553237(14) 0.02158(8) Uani 1 1 d . . .
Rb1 Rb 0.14817(4) 0.51095(2) 1.61343(3) 0.04964(15) Uani 1 1 d . . .
Rb2 Rb 0.42259(3) 0.473046(15) 1.382139(19) 0.02910(10) Uani 1 1 d . . .
Rb3 Rb 0.20725(9) 0.52070(3) 1.09905(4) 0.0969(4) Uani 1 1 d . . .
Rb4 Rb 0.02135(14) 0.52161(8) 1.00881(9) 0.0959(7) Uani 0.50 1 d P . .
S1 S 0.34010(7) 0.62433(4) 1.42387(5) 0.0294(3) Uani 1 1 d . . .
S2 S 0.49862(6) 0.63690(4) 1.39977(4) 0.0233(2) Uani 1 1 d . . .
S3 S 0.62152(6) 0.68674(4) 1.36019(4) 0.0220(2) Uani 1 1 d . . .
S4 S 0.29206(6) 0.61172(4) 1.31438(5) 0.0263(2) Uani 1 1 d . . .
S5 S 0.44005(6) 0.62318(4) 1.27490(4) 0.0247(2) Uani 1 1 d . . .
S6 S 0.56171(6) 0.68078(4) 1.25260(4) 0.0231(2) Uani 1 1 d . . .
S7 S 0.41445(7) 0.72258(4) 1.50477(5) 0.0300(3) Uani 1 1 d . . .
S8 S 0.52003(6) 0.77680(4) 1.45283(4) 0.0240(2) Uani 1 1 d . . .
S9 S 0.58936(6) 0.81017(4) 1.36238(5) 0.0261(2) Uani 1 1 d . . .
S10 S 0.27951(7) 0.77503(5) 1.47187(5) 0.0345(3) Uani 1 1 d . . .
S11 S 0.36784(7) 0.83920(4) 1.41915(5) 0.0289(2) Uani 1 1 d . . .
S12 S 0.15468(6) 0.70769(4) 1.31420(4) 0.0241(2) Uani 1 1 d . . .
S13 S 0.23673(6) 0.71530(4) 1.22047(4) 0.0230(2) Uani 1 1 d . . .
S14 S 0.45711(7) 0.86649(4) 1.33375(5) 0.0285(2) Uani 1 1 d . . .
S15 S 0.38242(6) 0.71924(4) 1.17315(4) 0.0257(2) Uani 1 1 d . . .
S16 S 0.18017(6) 0.79936(4) 1.34620(4) 0.0254(2) Uani 1 1 d . . .
S17 S 0.27420(6) 0.81797(3) 1.26089(4) 0.0227(2) Uani 1 1 d . . .
S18 S 0.41522(6) 0.80831(4) 1.20917(4) 0.0249(2) Uani 1 1 d . . .
S19 S 0.39241(7) 0.73135(4) 1.33927(4) 0.0257(2) Uani 1 1 d . . .
S20 S 0.21367(7) 0.28766(4) 1.24327(4) 0.0264(2) Uani 1 1 d . . .
S21 S 0.32607(6) 0.30638(4) 1.32084(4) 0.0210(2) Uani 1 1 d . . .
S22 S 0.38624(6) 0.30082(3) 1.42368(4) 0.0205(2) Uani 1 1 d . . .
S23 S 0.09520(6) 0.34372(4) 1.29123(4) 0.0255(2) Uani 1 1 d . . .
S24 S 0.19408(6) 0.37420(3) 1.37188(4) 0.0202(2) Uani 1 1 d . . .
S25 S 0.27380(6) 0.36270(3) 1.46664(4) 0.01952(19) Uani 1 1 d . . .
S26 S 0.28077(7) 0.14740(4) 1.46286(5) 0.0288(2) Uani 1 1 d . . .
S27 S 0.14363(7) 0.12893(4) 1.40748(5) 0.0318(3) Uani 1 1 d . . .
S28 S 0.00693(7) 0.15222(5) 1.35734(6) 0.0390(3) Uani 1 1 d . . .
S29 S 0.36054(6) 0.18095(4) 1.37152(4) 0.0246(2) Uani 1 1 d . . .
S30 S 0.23633(6) 0.16436(4) 1.30170(4) 0.0247(2) Uani 1 1 d . . .
S31 S 0.08660(7) 0.19129(4) 1.26898(5) 0.0327(3) Uani 1 1 d . . .
S32 S 0.14235(7) 0.19289(4) 1.55248(5) 0.0313(3) Uani 1 1 d . . .
S33 S 0.00215(7) 0.22037(4) 1.50670(5) 0.0271(2) Uani 1 1 d . . .
S34 S -0.07684(7) 0.25224(5) 1.41786(5) 0.0312(3) Uani 1 1 d . . .
S35 S 0.07464(6) 0.32218(4) 1.51657(4) 0.0215(2) Uani 1 1 d . . .
S36 S 0.20678(6) 0.28169(4) 1.56072(4) 0.0224(2) Uani 1 1 d . . .
S37 S -0.01586(7) 0.34173(4) 1.42750(4) 0.0279(2) Uani 1 1 d . . .
S38 S 0.16022(7) 0.25240(4) 1.40026(4) 0.0252(2) Uani 1 1 d . . .
O1 O 0.4230(2) 0.55558(11) 1.35760(16) 0.0346(9) Uani 1 1 d . . .
O2 O 0.5958(2) 0.59626(11) 1.31570(14) 0.0297(7) Uani 1 1 d . . .
O3 O 0.5266(2) 0.87532(12) 1.44279(15) 0.0370(9) Uani 1 1 d . . .
O4 O 0.4156(2) 0.81934(15) 1.53103(15) 0.0415(10) Uani 1 1 d . . .
O5 O 0.11356(19) 0.78314(13) 1.23981(13) 0.0310(8) Uani 1 1 d . . .
O6 O 0.26455(19) 0.79104(13) 1.14765(13) 0.0317(8) Uani 1 1 d . . .
O7 O 0.2551(2) 0.38289(12) 1.26397(13) 0.0307(8) Uani 1 1 d . . .
O8 O 0.36511(18) 0.39224(10) 1.37363(13) 0.0236(6) Uani 1 1 d . . .
O9 O 0.1159(2) 0.09311(12) 1.29796(16) 0.0374(9) Uani 1 1 d . . .
O10 O 0.2887(2) 0.08802(11) 1.36671(15) 0.0342(8) Uani 1 1 d . . .
O11 O -0.09590(18) 0.30230(13) 1.52014(13) 0.0322(8) Uani 1 1 d . . .
O12 O 0.0484(2) 0.26223(13) 1.60873(13) 0.0328(8) Uani 1 1 d . . .
O13 O 0.2408(2) 0.47880(11) 1.68831(14) 0.0311(8) Uani 1 1 d . . .
O14 O 0.1889(2) 0.42596(11) 1.61614(14) 0.0302(8) Uani 1 1 d . . .
O15 O 0.13431(19) 0.46163(11) 1.52882(13) 0.0274(7) Uani 1 1 d . . .
O16 O 0.13458(18) 0.53884(10) 1.51498(13) 0.0250(7) Uani 1 1 d . . .
O17 O 0.20157(18) 0.58913(11) 1.58465(12) 0.0250(7) Uani 1 1 d . . .
O18 O 0.25692(19) 0.55592(10) 1.67196(12) 0.0248(7) Uani 1 1 d . . .
O19 O 0.49081(19) 0.44185(12) 1.30138(13) 0.0286(7) Uani 1 1 d . . .
O20 O 0.54010(18) 0.41884(10) 1.39699(12) 0.0220(6) Uani 1 1 d . . .
O21 O 0.45134(17) 0.44148(10) 1.47540(12) 0.0224(6) Uani 1 1 d . . .
O22 O 0.33174(17) 0.47887(11) 1.45982(12) 0.0244(7) Uani 1 1 d . . .
O23 O 0.27787(18) 0.49554(10) 1.36491(12) 0.0243(7) Uani 1 1 d . . .
O24 O 0.36608(19) 0.47405(11) 1.28582(12) 0.0268(7) Uani 1 1 d . . .
O25 O 0.3423(5) 0.55268(15) 1.0549(2) 0.084(2) Uani 1 1 d . . .
O26 O 0.2904(3) 0.59510(16) 1.1331(2) 0.0600(14) Uani 1 1 d . . .
O27 O 0.1988(3) 0.55290(15) 1.19852(18) 0.0582(14) Uani 1 1 d . A .
O28 O 0.1769(3) 0.47598(14) 1.18726(16) 0.0446(10) Uani 1 1 d . . .
O29 O 0.2506(3) 0.43143(13) 1.11813(15) 0.0416(10) Uani 1 1 d . . .
O30 O 0.3251(3) 0.47667(13) 1.04930(17) 0.0500(12) Uani 1 1 d . . .
O31 O -0.0996(5) 0.5417(2) 1.0422(3) 0.092(2) Uani 1 1 d . . .
O32 O -0.0809(4) 0.55223(17) 0.9412(2) 0.0687(17) Uani 1 1 d . . .
O33 O 0.0065(6) 0.50490(19) 0.8966(2) 0.109(3) Uani 1 1 d . . .
C1 C 0.2463(3) 0.6272(2) 1.4048(2) 0.0353(12) Uani 1 1 d U . .
H1A H 0.2160 0.6190 1.4320 0.042 Uiso 1 1 calc R . .
H1B H 0.2344 0.6557 1.3966 0.042 Uiso 1 1 calc R . .
C2 C 0.2295(3) 0.60094(18) 1.3626(2) 0.0347(12) Uani 1 1 d U . .
H2A H 0.1799 0.6061 1.3511 0.042 Uiso 1 1 calc R . .
H2B H 0.2333 0.5720 1.3721 0.042 Uiso 1 1 calc R . .
C3 C 0.6757(3) 0.70466(16) 1.31060(18) 0.0264(9) Uani 1 1 d U . .
H3A H 0.7063 0.7274 1.3219 0.032 Uiso 1 1 calc R . .
H3B H 0.7072 0.6825 1.2998 0.032 Uiso 1 1 calc R . .
C4 C 0.6290(3) 0.71876(15) 1.26868(18) 0.0244(9) Uani 1 1 d U . .
H4A H 0.6593 0.7241 1.2405 0.029 Uiso 1 1 calc R . .
H4B H 0.6050 0.7444 1.2774 0.029 Uiso 1 1 calc R . .
C5 C 0.3282(3) 0.7129(2) 1.5323(2) 0.0435(15) Uani 1 1 d U . .
H5A H 0.3244 0.6837 1.5404 0.052 Uiso 1 1 calc R . .
H5B H 0.3250 0.7286 1.5626 0.052 Uiso 1 1 calc R . .
C6 C 0.2671(3) 0.7247(2) 1.4986(2) 0.0418(14) Uani 1 1 d U . .
H6A H 0.2220 0.7245 1.5166 0.050 Uiso 1 1 calc R . .
H6B H 0.2629 0.7043 1.4725 0.050 Uiso 1 1 calc R . .
C7 C 0.5414(3) 0.87179(16) 1.3022(2) 0.0314(11) Uani 1 1 d U . .
H7A H 0.5313 0.8802 1.2685 0.038 Uiso 1 1 calc R . .
H7B H 0.5705 0.8933 1.3179 0.038 Uiso 1 1 calc R . .
C8 C 0.5829(3) 0.83280(16) 1.3023(2) 0.0317(11) Uani 1 1 d U . .
H8A H 0.6317 0.8381 1.2904 0.038 Uiso 1 1 calc R . .
H8B H 0.5594 0.8133 1.2799 0.038 Uiso 1 1 calc R . .
C9 C 0.1327(3) 0.72463(18) 1.37481(18) 0.0303(10) Uani 1 1 d U . .
H9A H 0.0925 0.7082 1.3868 0.036 Uiso 1 1 calc R . .
H9B H 0.1745 0.7201 1.3966 0.036 Uiso 1 1 calc R . .
C10 C 0.1128(3) 0.76849(18) 1.37591(19) 0.0306(11) Uani 1 1 d U . .
H10A H 0.1083 0.7774 1.4097 0.037 Uiso 1 1 calc R . .
H10B H 0.0658 0.7723 1.3595 0.037 Uiso 1 1 calc R . .
C11 C 0.4568(3) 0.74683(18) 1.14709(19) 0.0316(11) Uani 1 1 d U . .
H11A H 0.4953 0.7275 1.1392 0.038 Uiso 1 1 calc R . .
H11B H 0.4405 0.7601 1.1168 0.038 Uiso 1 1 calc R . .
C12 C 0.4858(3) 0.77864(17) 1.18142(19) 0.0295(10) Uani 1 1 d U . .
H12A H 0.5177 0.7972 1.1637 0.035 Uiso 1 1 calc R . .
H12B H 0.5147 0.7652 1.2070 0.035 Uiso 1 1 calc R . .
C13 C 0.1300(3) 0.29780(18) 1.21132(18) 0.0318(11) Uani 1 1 d U . .
H13A H 0.1359 0.3218 1.1902 0.038 Uiso 1 1 calc R . .
H13B H 0.1175 0.2743 1.1907 0.038 Uiso 1 1 calc R . .
C14 C 0.0701(3) 0.30564(18) 1.24607(19) 0.0318(11) Uani 1 1 d U . .
H14A H 0.0577 0.2800 1.2624 0.038 Uiso 1 1 calc R . .
H14B H 0.0272 0.3151 1.2279 0.038 Uiso 1 1 calc R . .
C15 C 0.3814(3) 0.30783(14) 1.48907(17) 0.0232(9) Uani 1 1 d U . .
H15A H 0.3501 0.2866 1.5026 0.028 Uiso 1 1 calc R . .
H15B H 0.4298 0.3044 1.5036 0.028 Uiso 1 1 calc R . .
C16 C 0.3529(2) 0.34894(15) 1.50269(17) 0.0229(8) Uani 1 1 d U . .
H16A H 0.3906 0.3696 1.4981 0.027 Uiso 1 1 calc R . .
H16B H 0.3406 0.3488 1.5372 0.027 Uiso 1 1 calc R . .
C17 C -0.0441(3) 0.1718(2) 1.3068(3) 0.0485(16) Uani 1 1 d U . .
H17A H -0.0532 0.1497 1.2834 0.058 Uiso 1 1 calc R . .
H17B H -0.0908 0.1818 1.3180 0.058 Uiso 1 1 calc R . .
C18 C -0.0053(3) 0.2055(2) 1.2829(3) 0.0454(15) Uani 1 1 d U . .
H18A H -0.0046 0.2295 1.3042 0.054 Uiso 1 1 calc R . .
H18B H -0.0311 0.2129 1.2527 0.054 Uiso 1 1 calc R . .
C19 C 0.3641(3) 0.17512(19) 1.4701(2) 0.0361(12) Uani 1 1 d U . .
H19A H 0.3533 0.2042 1.4756 0.043 Uiso 1 1 calc R . .
H19B H 0.3902 0.1648 1.4989 0.043 Uiso 1 1 calc R . .
C20 C 0.4111(3) 0.17137(19) 1.4273(2) 0.0353(12) Uani 1 1 d U . .
H20A H 0.4318 0.1437 1.4263 0.042 Uiso 1 1 calc R . .
H20B H 0.4509 0.1910 1.4302 0.042 Uiso 1 1 calc R . .
C21 C -0.0916(3) 0.3309(2) 1.3878(2) 0.0392(13) Uani 1 1 d U . .
H21A H -0.1365 0.3348 1.4054 0.047 Uiso 1 1 calc R . .
H21B H -0.0917 0.3501 1.3603 0.047 Uiso 1 1 calc R . .
C22 C -0.0884(3) 0.2883(2) 1.36922(19) 0.0369(12) Uani 1 1 d U . .
H22A H -0.0480 0.2858 1.3469 0.044 Uiso 1 1 calc R . .
H22B H -0.1331 0.2821 1.3511 0.044 Uiso 1 1 calc R . .
C23 C 0.2257(3) 0.20120(17) 1.5870(2) 0.0310(11) Uani 1 1 d U . .
H23A H 0.2147 0.2057 1.6213 0.037 Uiso 1 1 calc R . .
H23B H 0.2563 0.1768 1.5848 0.037 Uiso 1 1 calc R . .
C24 C 0.2652(3) 0.23721(16) 1.56802(18) 0.0263(9) Uani 1 1 d U . .
H24A H 0.2859 0.2302 1.5365 0.032 Uiso 1 1 calc R . .
H24B H 0.3052 0.2440 1.5905 0.032 Uiso 1 1 calc R . .
C25 C 0.2525(3) 0.54460(15) 1.71931(18) 0.0272(9) Uani 1 1 d U . .
C26 C 0.2575(3) 0.57137(18) 1.7578(2) 0.0357(12) Uani 1 1 d U . .
H26 H 0.2648 0.5994 1.7518 0.043 Uiso 1 1 calc R . .
C27 C 0.2520(5) 0.5581(2) 1.8042(2) 0.0542(18) Uani 1 1 d U . .
H27 H 0.2570 0.5766 1.8303 0.065 Uiso 1 1 calc R . .
C28 C 0.2390(5) 0.5172(2) 1.8127(2) 0.0572(19) Uani 1 1 d U . .
H28 H 0.2316 0.5079 1.8447 0.069 Uiso 1 1 calc R . .
C29 C 0.2368(4) 0.4897(2) 1.7747(2) 0.0456(15) Uani 1 1 d U . .
H29 H 0.2306 0.4616 1.7810 0.055 Uiso 1 1 calc R . .
C30 C 0.2435(3) 0.50298(16) 1.72782(19) 0.0306(10) Uani 1 1 d U . .
C31 C 0.2371(3) 0.43601(16) 1.6958(2) 0.0343(11) Uani 1 1 d U . .
H31A H 0.1901 0.4285 1.7091 0.041 Uiso 1 1 calc R . .
H31B H 0.2751 0.4273 1.7189 0.041 Uiso 1 1 calc R . .
C32 C 0.2470(3) 0.41606(17) 1.6481(2) 0.0356(12) Uani 1 1 d U . .
H32A H 0.2925 0.4253 1.6341 0.043 Uiso 1 1 calc R . .
H32B H 0.2495 0.3863 1.6524 0.043 Uiso 1 1 calc R . .
C33 C 0.2006(3) 0.40947(15) 1.5692(2) 0.0313(11) Uani 1 1 d U . .
H33A H 0.2070 0.3797 1.5717 0.038 Uiso 1 1 calc R . .
H33B H 0.2448 0.4212 1.5560 0.038 Uiso 1 1 calc R . .
C34 C 0.1388(3) 0.41867(15) 1.5361(2) 0.0303(10) Uani 1 1 d U . .
H34A H 0.1454 0.4048 1.5049 0.036 Uiso 1 1 calc R . .
H34B H 0.0940 0.4086 1.5502 0.036 Uiso 1 1 calc R . .
C35 C 0.0955(2) 0.47494(16) 1.48908(18) 0.0258(9) Uani 1 1 d U . .
C36 C 0.0619(3) 0.44901(18) 1.4562(2) 0.0346(11) Uani 1 1 d U . .
H36 H 0.0617 0.4205 1.4615 0.042 Uiso 1 1 calc R . .
C37 C 0.0284(3) 0.4654(2) 1.4151(2) 0.0449(14) Uani 1 1 d U . .
H37 H 0.0054 0.4480 1.3924 0.054 Uiso 1 1 calc R . .
C38 C 0.0287(3) 0.5066(2) 1.4076(2) 0.0430(14) Uani 1 1 d U . .
H38 H 0.0068 0.5174 1.3792 0.052 Uiso 1 1 calc R . .
C39 C 0.0607(3) 0.53285(19) 1.4409(2) 0.0341(11) Uani 1 1 d U . .
H39 H 0.0591 0.5614 1.4360 0.041 Uiso 1 1 calc R . .
C40 C 0.0953(2) 0.51660(16) 1.48166(18) 0.0261(9) Uani 1 1 d U . .
C41 C 0.1330(3) 0.58219(15) 1.51094(18) 0.0273(9) Uani 1 1 d U . .
H41A H 0.0903 0.5931 1.5270 0.033 Uiso 1 1 calc R . .
H41B H 0.1308 0.5903 1.4766 0.033 Uiso 1 1 calc R . .
C42 C 0.2006(3) 0.59878(15) 1.53483(18) 0.0275(10) Uani 1 1 d U . .
H42A H 0.2430 0.5869 1.5194 0.033 Uiso 1 1 calc R . .
H42B H 0.2024 0.6286 1.5307 0.033 Uiso 1 1 calc R . .
C43 C 0.2639(3) 0.60469(15) 1.60841(18) 0.0253(9) Uani 1 1 d U . .
H43A H 0.2690 0.6340 1.6013 0.030 Uiso 1 1 calc R . .
H43B H 0.3069 0.5905 1.5967 0.030 Uiso 1 1 calc R . .
C44 C 0.2574(3) 0.59840(14) 1.66168(18) 0.0260(9) Uani 1 1 d U . .
H44A H 0.2982 0.6115 1.6788 0.031 Uiso 1 1 calc R . .
H44B H 0.2127 0.6110 1.6729 0.031 Uiso 1 1 calc R . .
C45 C 0.4142(3) 0.47849(15) 1.24958(18) 0.0269(9) Uani 1 1 d U . .
C46 C 0.3985(3) 0.49697(19) 1.2062(2) 0.0382(12) Uani 1 1 d U . .
H46 H 0.3528 0.5087 1.2004 0.046 Uiso 1 1 calc R . .
C47 C 0.4504(4) 0.4983(2) 1.1708(2) 0.0484(16) Uani 1 1 d U . .
H47 H 0.4397 0.5107 1.1407 0.058 Uiso 1 1 calc R . .
C48 C 0.5166(4) 0.4820(2) 1.1794(2) 0.0444(14) Uani 1 1 d U . .
H48 H 0.5514 0.4828 1.1550 0.053 Uiso 1 1 calc R . .
C49 C 0.5339(3) 0.46401(17) 1.2242(2) 0.0346(11) Uani 1 1 d U . .
H49 H 0.5806 0.4538 1.2306 0.042 Uiso 1 1 calc R . .
C50 C 0.4818(3) 0.46146(15) 1.25845(18) 0.0268(9) Uani 1 1 d U . .
C51 C 0.5554(3) 0.42030(15) 1.31132(17) 0.0251(9) Uani 1 1 d U . .
H51A H 0.5950 0.4396 1.3176 0.030 Uiso 1 1 calc R . .
H51B H 0.5679 0.4033 1.2833 0.030 Uiso 1 1 calc R . .
C52 C 0.5446(3) 0.39417(15) 1.35451(17) 0.0249(9) Uani 1 1 d U . .
H52A H 0.5001 0.3782 1.3502 0.030 Uiso 1 1 calc R . .
H52B H 0.5850 0.3749 1.3581 0.030 Uiso 1 1 calc R . .
C53 C 0.5305(2) 0.39452(13) 1.43878(17) 0.0221(8) Uani 1 1 d U . .
H53A H 0.5732 0.3773 1.4444 0.027 Uiso 1 1 calc R . .
H53B H 0.4886 0.3765 1.4339 0.027 Uiso 1 1 calc R . .
C54 C 0.5191(2) 0.42125(14) 1.48192(17) 0.0221(8) Uani 1 1 d U . .
H54A H 0.5190 0.4047 1.5116 0.027 Uiso 1 1 calc R . .
H54B H 0.5581 0.4415 1.4848 0.027 Uiso 1 1 calc R . .
C55 C 0.4229(2) 0.46067(13) 1.51468(16) 0.0206(8) Uani 1 1 d U . .
C56 C 0.4533(3) 0.46030(14) 1.56044(17) 0.0242(9) Uani 1 1 d U . .
H56 H 0.4981 0.4474 1.5660 0.029 Uiso 1 1 calc R . .
C57 C 0.4181(3) 0.47889(14) 1.59865(18) 0.0253(9) Uani 1 1 d U . .
H57 H 0.4384 0.4780 1.6302 0.030 Uiso 1 1 calc R . .
C58 C 0.3539(3) 0.49852(15) 1.59030(18) 0.0262(9) Uani 1 1 d U . .
H58 H 0.3298 0.5111 1.6162 0.031 Uiso 1 1 calc R . .
C59 C 0.3243(3) 0.49987(14) 1.54390(18) 0.0241(9) Uani 1 1 d U . .
H59 H 0.2807 0.5141 1.5382 0.029 Uiso 1 1 calc R . .
C60 C 0.3576(2) 0.48072(14) 1.50612(17) 0.0208(8) Uani 1 1 d U . .
C61 C 0.2644(3) 0.49781(16) 1.45035(18) 0.0268(9) Uani 1 1 d U . .
H61A H 0.2705 0.5276 1.4488 0.032 Uiso 1 1 calc R . .
H61B H 0.2310 0.4915 1.4765 0.032 Uiso 1 1 calc R . .
C62 C 0.2347(2) 0.48226(17) 1.40325(18) 0.0278(10) Uani 1 1 d U . .
H62A H 0.2333 0.4522 1.4038 0.033 Uiso 1 1 calc R . .
H62B H 0.1852 0.4923 1.3983 0.033 Uiso 1 1 calc R . .
C63 C 0.2508(3) 0.48095(16) 1.32005(18) 0.0279(10) Uani 1 1 d U . .
H63A H 0.2020 0.4916 1.3142 0.033 Uiso 1 1 calc R . .
H63B H 0.2481 0.4510 1.3208 0.033 Uiso 1 1 calc R . .
C64 C 0.2989(3) 0.49421(16) 1.28005(18) 0.0282(10) Uani 1 1 d U . .
H64A H 0.2768 0.4872 1.2485 0.034 Uiso 1 1 calc R . .
H64B H 0.3059 0.5240 1.2813 0.034 Uiso 1 1 calc R . .
C65 C 0.3295(5) 0.49557(19) 1.0058(3) 0.0492(16) Uani 1 1 d U . .
C66 C 0.3301(5) 0.4772(2) 0.9618(3) 0.0573(19) Uani 1 1 d U . .
H66 H 0.3256 0.4486 0.9594 0.069 Uiso 1 1 calc R . .
C67 C 0.3372(6) 0.5008(3) 0.9200(3) 0.072(2) Uani 1 1 d U . .
H67 H 0.3385 0.4879 0.8895 0.086 Uiso 1 1 calc R . .
C68 C 0.3424(7) 0.5422(3) 0.9229(3) 0.080(3) Uani 1 1 d U . .
H68 H 0.3438 0.5581 0.8945 0.097 Uiso 1 1 calc R . .
C69 C 0.3456(8) 0.5610(3) 0.9685(4) 0.095(4) Uani 1 1 d U . .
H69 H 0.3522 0.5895 0.9709 0.114 Uiso 1 1 calc R . .
C70 C 0.3393(6) 0.5384(2) 1.0087(3) 0.071(3) Uani 1 1 d U . .
C71 C 0.3572(7) 0.5957(2) 1.0618(4) 0.085(3) Uani 1 1 d U . .
H71A H 0.3192 0.6124 1.0463 0.103 Uiso 1 1 calc R . .
H71B H 0.4036 0.6029 1.0476 0.103 Uiso 1 1 calc R . .
C72 C 0.3593(6) 0.6026(3) 1.1155(4) 0.075(3) Uani 1 1 d U . .
H72A H 0.3944 0.5840 1.1311 0.090 Uiso 1 1 calc R . .
H72B H 0.3738 0.6309 1.1227 0.090 Uiso 1 1 calc R . .
C73 C 0.2864(5) 0.6035(2) 1.1835(3) 0.061(2) Uani 1 1 d U . .
H73A H 0.3000 0.6320 1.1899 0.073 Uiso 1 1 calc R . .
H73B H 0.3197 0.5856 1.2018 0.073 Uiso 1 1 calc R . .
C74 C 0.2110(5) 0.5961(2) 1.1988(3) 0.059(2) Uani 1 1 d U . .
H74A H 0.2039 0.6071 1.2316 0.071 Uiso 1 1 calc R . .
H74B H 0.1770 0.6097 1.1764 0.071 Uiso 1 1 calc R . .
C75 C 0.1375(5) 0.5383(3) 1.2161(3) 0.0582(18) Uani 1 1 d U . .
C76 C 0.0810(12) 0.5611(6) 1.2372(7) 0.079(4) Uani 0.79(4) 1 d PU A 1
H76 H 0.0866 0.5894 1.2425 0.095 Uiso 0.79(4) 1 calc PR A 1
C76A C 0.108(4) 0.565(2) 1.251(2) 0.071(9) Uani 0.21(4) 1 d PU A 2
H76A H 0.1293 0.5906 1.2594 0.086 Uiso 0.21(4) 1 calc PR A 2
C77 C 0.0196(11) 0.5423(7) 1.2494(9) 0.097(5) Uani 0.79(4) 1 d PU A 1
H77 H -0.0178 0.5588 1.2612 0.116 Uiso 0.79(4) 1 calc PR A 1
C77A C 0.046(4) 0.550(2) 1.271(3) 0.091(9) Uani 0.21(4) 1 d PU A 2
H77A H 0.0133 0.5678 1.2875 0.109 Uiso 0.21(4) 1 calc PR A 2
C78 C 0.0077(11) 0.5036(7) 1.2465(9) 0.105(6) Uani 0.79(4) 1 d PU A 1
H78 H -0.0357 0.4921 1.2572 0.126 Uiso 0.79(4) 1 calc PR A 1
C78A C 0.033(5) 0.509(3) 1.267(3) 0.100(9) Uani 0.21(4) 1 d PU A 2
H78A H 0.0043 0.4976 1.2908 0.120 Uiso 0.21(4) 1 calc PR A 2
C79 C 0.0615(6) 0.4795(4) 1.2268(5) 0.098(3) Uani 1 1 d U . .
H79 H 0.0548 0.4510 1.2241 0.118 Uiso 1 1 calc R A 1
C80 C 0.1251(4) 0.4971(3) 1.2111(3) 0.0586(18) Uani 1 1 d U A .
C81 C 0.1705(4) 0.4325(2) 1.1838(3) 0.0480(15) Uani 1 1 d U . .
H81A H 0.1309 0.4251 1.1614 0.058 Uiso 1 1 calc R . .
H81B H 0.1606 0.4208 1.2158 0.058 Uiso 1 1 calc R . .
C82 C 0.2407(4) 0.41666(19) 1.1654(2) 0.0440(14) Uani 1 1 d U . .
H82A H 0.2805 0.4258 1.1868 0.053 Uiso 1 1 calc R . .
H82B H 0.2403 0.3866 1.1653 0.053 Uiso 1 1 calc R . .
C83 C 0.3182(4) 0.4195(2) 1.1004(3) 0.0507(17) Uani 1 1 d U . .
H83A H 0.3231 0.3897 1.1026 0.061 Uiso 1 1 calc R . .
H83B H 0.3567 0.4319 1.1203 0.061 Uiso 1 1 calc R . .
C84 C 0.3252(5) 0.4328(2) 1.0487(3) 0.0558(19) Uani 1 1 d U . .
H84A H 0.3703 0.4225 1.0353 0.067 Uiso 1 1 calc R . .
H84B H 0.2846 0.4225 1.0289 0.067 Uiso 1 1 calc R . .
C85 C -0.0567(7) 0.5233(4) 1.1222(5) 0.101(4) Uiso 1 1 d U . .
H85A H -0.0352 0.5507 1.1241 0.121 Uiso 1 1 calc R . .
H85B H -0.0705 0.5151 1.1551 0.121 Uiso 1 1 calc R . .
C86 C -0.1282(8) 0.5238(3) 1.0858(4) 0.109(5) Uani 1 1 d U . .
H86A H -0.1464 0.4961 1.0797 0.131 Uiso 1 1 calc R . .
H86B H -0.1669 0.5407 1.0990 0.131 Uiso 1 1 calc R . .
C87 C -0.1554(6) 0.5526(3) 1.0083(3) 0.078(3) Uani 1 1 d U . .
H87A H -0.1936 0.5678 1.0246 0.093 Uiso 1 1 calc R . .
H87B H -0.1765 0.5279 0.9936 0.093 Uiso 1 1 calc R . .
C88 C -0.1217(6) 0.5789(2) 0.9698(3) 0.070(2) Uani 1 1 d U . .
H88A H -0.1592 0.5925 0.9500 0.084 Uiso 1 1 calc R . .
H88B H -0.0907 0.5999 0.9848 0.084 Uiso 1 1 calc R . .
C89 C -0.0316(6) 0.5710(2) 0.9122(3) 0.070(2) Uani 1 1 d U . .
C90 C -0.0269(6) 0.6127(3) 0.9049(4) 0.073(2) Uani 1 1 d U . .
H90 H -0.0608 0.6301 0.9193 0.088 Uiso 1 1 calc R . .
C91 C 0.0259(8) 0.6291(3) 0.8774(5) 0.107(4) Uani 1 1 d U . .
H91 H 0.0255 0.6573 0.8704 0.129 Uiso 1 1 calc R . .
C92 C 0.0792(10) 0.6049(4) 0.8599(7) 0.153(6) Uani 1 1 d U . .
H92 H 0.1191 0.6163 0.8441 0.183 Uiso 1 1 calc R . .
C93 C 0.0728(10) 0.5630(4) 0.8660(5) 0.137(6) Uani 1 1 d U . .
H93 H 0.1087 0.5460 0.8530 0.164 Uiso 1 1 calc R . .
C94 C 0.0193(7) 0.5456(3) 0.8892(4) 0.087(3) Uani 1 1 d U . .
C105 C 0.4960(7) 0.4842(6) 0.9572(4) 0.053(4) Uani 0.50 1 d PU . .
H105 H 0.4929 0.4723 0.9261 0.063 Uiso 0.50 1 calc PR . .
C106 C 0.4932(7) 0.4585(6) 0.9973(5) 0.053(3) Uani 0.50 1 d PU . .
H106 H 0.4885 0.4299 0.9937 0.064 Uiso 0.50 1 calc PR . .
C107 C 0.4974(7) 0.4756(7) 1.0399(5) 0.064(5) Uani 0.50 1 d PU . .
H107 H 0.4956 0.4596 1.0683 0.077 Uiso 0.50 1 calc PR . .
N1 N 0.1655(9) 0.5548(4) 0.9957(5) 0.066(4) Uani 0.50 1 d PDU . .
C95 C 0.1748(9) 0.5851(4) 0.9747(6) 0.060(4) Uani 0.50 1 d PDU A .
C96 C 0.1845(10) 0.6216(5) 0.9489(7) 0.074(6) Uani 0.50 1 d PDU . .
N2 N 0.0790(4) 0.5640(2) 1.6836(3) 0.0625(18) Uani 1 1 d DU . .
C97 C 0.0789(4) 0.5895(3) 1.7113(3) 0.0580(19) Uani 1 1 d DU . .
C98 C 0.0813(5) 0.6222(3) 1.7453(5) 0.098(4) Uani 1 1 d DU . .
N3 N 0.1444(8) 0.6371(7) 1.0675(12) 0.308(17) Uani 1 1 d DU . .
C99 C 0.1875(7) 0.6623(5) 1.0773(6) 0.118(5) Uani 1 1 d DU . .
C100 C 0.2403(5) 0.6901(3) 1.0916(3) 0.066(2) Uani 1 1 d DU . .
N4 N 0.4657(5) 0.4212(3) 0.8832(4) 0.103(4) Uani 1 1 d DU . .
C101 C 0.4424(4) 0.4193(3) 0.8428(4) 0.082(3) Uani 1 1 d DU . .
C102 C 0.4130(5) 0.4215(3) 0.7984(3) 0.073(3) Uani 1 1 d DU . .
N5 N 0.0527(4) 0.6226(3) 1.3902(4) 0.086(3) Uani 1 1 d DU . .
C103 C -0.0006(5) 0.6320(2) 1.3700(3) 0.062(2) Uani 1 1 d DU . .
C104 C -0.0679(5) 0.6458(3) 1.3489(3) 0.067(2) Uani 1 1 d DU . .
O34 O 0.0852(9) 0.5598(7) 1.1033(7) 0.132(8) Uani 0.50 1 d P . .
O35 O 0.0233(12) 0.6111(7) 1.0192(9) 0.156(10) Uani 0.50 1 d P . .
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'
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'
Rb Rb -0.9393 2.9676 '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'
Ag Ag -0.8971 1.1015 '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'
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
S3 Ag1 S8 112.62(4) . . ?
S3 Ag1 S9 105.07(4) . . ?
S3 Ag1 S19 128.26(4) . . ?
S8 Ag1 S9 68.73(4) . . ?
S8 Ag1 S19 104.79(4) . . ?
S9 Ag1 S19 121.46(4) . . ?
S1 Ag2 S2 69.27(4) . . ?
S1 Ag2 S7 108.37(5) . . ?
S1 Ag2 S19 114.83(4) . . ?
S2 Ag2 S7 112.08(4) . . ?
S2 Ag2 S19 99.06(4) . . ?
S7 Ag2 S19 133.41(5) . . ?
S10 Ag3 S11 68.83(5) . . ?
S10 Ag3 S16 102.25(4) . . ?
S10 Ag3 S19 123.20(4) . . ?
S11 Ag3 S16 105.66(4) . . ?
S11 Ag3 S19 105.56(4) . . ?
S16 Ag3 S19 131.61(4) . . ?
S14 Ag4 S17 105.69(4) . . ?
S14 Ag4 S18 102.47(4) . . ?
S14 Ag4 S19 135.25(4) . . ?
S17 Ag4 S18 67.44(4) . . ?
S17 Ag4 S19 104.02(4) . . ?
S18 Ag4 S19 119.61(4) . . ?
S4 Ag5 S12 105.13(4) . . ?
S4 Ag5 S13 112.46(4) . . ?
S4 Ag5 S19 121.94(4) . . ?
S12 Ag5 S13 69.07(4) . . ?
S12 Ag5 S19 124.88(4) . . ?
S13 Ag5 S19 111.64(4) . . ?
S5 Ag6 S6 68.41(4) . . ?
S5 Ag6 S15 112.01(4) . . ?
S5 Ag6 S19 101.10(4) . . ?
S6 Ag6 S15 108.49(4) . . ?
S6 Ag6 S19 114.01(4) . . ?
S15 Ag6 S19 133.28(4) . . ?
S28 Ag7 S33 118.81(5) . . ?
S28 Ag7 S34 103.83(5) . . ?
S28 Ag7 S38 126.22(5) . . ?
S33 Ag7 S34 66.40(4) . . ?
S33 Ag7 S38 105.15(4) . . ?
S34 Ag7 S38 122.01(5) . . ?
S26 Ag8 S27 65.73(4) . . ?
S26 Ag8 S32 99.32(4) . . ?
S26 Ag8 S38 120.94(4) . . ?
S27 Ag8 S32 112.82(4) . . ?
S27 Ag8 S38 97.16(4) . . ?
S32 Ag8 S38 137.39(5) . . ?
S21 Ag9 S22 68.15(4) . . ?
S21 Ag9 S29 111.45(4) . . ?
S21 Ag9 S38 103.83(4) . . ?
S22 Ag9 S29 110.06(4) . . ?
S22 Ag9 S38 122.09(4) . . ?
S29 Ag9 S38 124.82(4) . . ?
S20 Ag10 S30 112.55(4) . . ?
S20 Ag10 S31 102.76(5) . . ?
S20 Ag10 S38 132.99(4) . . ?
S30 Ag10 S31 68.98(4) . . ?
S30 Ag10 S38 106.84(4) . . ?
S31 Ag10 S38 114.79(5) . . ?
S25 Ag11 S35 104.91(4) . . ?
S25 Ag11 S36 99.39(4) . . ?
S25 Ag11 S38 130.51(4) . . ?
S35 Ag11 S36 67.94(4) . . ?
S35 Ag11 S38 108.18(4) . . ?
S36 Ag11 S38 126.72(4) . . ?
S23 Ag12 S24 68.50(4) . . ?
S23 Ag12 S37 114.20(4) . . ?
S23 Ag12 S38 116.13(4) . . ?
S24 Ag12 S37 112.96(4) . . ?
S24 Ag12 S38 103.24(4) . . ?
S37 Ag12 S38 125.71(4) . . ?
S1 Mo1 S2 79.84(5) . . ?
S1 Mo1 S4 81.49(5) . . ?
S1 Mo1 S5 146.09(5) . . ?
S1 Mo1 O1 105.63(16) . . ?
S2 Mo1 S4 147.04(5) . . ?
S2 Mo1 S5 102.59(4) . . ?
S2 Mo1 O1 106.21(14) . . ?
S4 Mo1 S5 78.94(5) . . ?
S4 Mo1 O1 104.87(14) . . ?
S5 Mo1 O1 106.02(16) . . ?
S2 Mo2 S3 79.47(4) . . ?
S2 Mo2 S5 102.24(5) . . ?
S2 Mo2 S6 142.60(4) . . ?
S2 Mo2 O2 108.10(14) . . ?
S3 Mo2 S5 148.96(4) . . ?
S3 Mo2 S6 81.61(4) . . ?
S3 Mo2 O2 103.39(13) . . ?
S5 Mo2 S6 78.83(4) . . ?
S5 Mo2 O2 105.35(14) . . ?
S6 Mo2 O2 107.52(14) . . ?
S8 Mo3 S9 79.28(4) . . ?
S8 Mo3 S11 101.36(5) . . ?
S8 Mo3 S14 146.64(5) . . ?
S8 Mo3 O3 106.92(15) . . ?
S9 Mo3 S11 145.34(5) . . ?
S9 Mo3 S14 81.49(5) . . ?
S9 Mo3 O3 105.94(16) . . ?
S11 Mo3 S14 79.89(5) . . ?
S11 Mo3 O3 106.88(16) . . ?
S14 Mo3 O3 104.45(15) . . ?
S7 Mo4 S8 79.28(4) . . ?
S7 Mo4 S10 81.17(5) . . ?
S7 Mo4 S11 147.01(5) . . ?
S7 Mo4 O4 103.28(17) . . ?
S8 Mo4 S10 143.74(5) . . ?
S8 Mo4 S11 101.29(5) . . ?
S8 Mo4 O4 107.61(15) . . ?
S10 Mo4 S11 79.66(5) . . ?
S10 Mo4 O4 106.43(16) . . ?
S11 Mo4 O4 107.78(17) . . ?
S12 Mo5 S13 79.36(4) . . ?
S12 Mo5 S16 81.66(4) . . ?
S12 Mo5 S17 143.75(4) . . ?
S12 Mo5 O5 106.06(14) . . ?
S13 Mo5 S16 148.20(4) . . ?
S13 Mo5 S17 101.69(4) . . ?
S13 Mo5 O5 107.24(14) . . ?
S16 Mo5 S17 79.41(4) . . ?
S16 Mo5 O5 102.41(14) . . ?
S17 Mo5 O5 108.04(15) . . ?
S13 Mo6 S15 79.42(5) . . ?
S13 Mo6 S17 101.61(4) . . ?
S13 Mo6 S18 144.76(4) . . ?
S13 Mo6 O6 107.20(15) . . ?
S15 Mo6 S17 145.35(4) . . ?
S15 Mo6 S18 80.87(5) . . ?
S15 Mo6 O6 105.11(14) . . ?
S17 Mo6 S18 79.18(4) . . ?
S17 Mo6 O6 107.48(15) . . ?
S18 Mo6 O6 106.00(14) . . ?
S20 Mo7 S21 79.35(4) . . ?
S20 Mo7 S23 81.72(4) . . ?
S20 Mo7 S24 147.83(5) . . ?
S20 Mo7 O7 104.13(14) . . ?
S21 Mo7 S23 144.18(5) . . ?
S21 Mo7 S24 102.13(4) . . ?
S21 Mo7 O7 106.73(13) . . ?
S23 Mo7 S24 78.97(4) . . ?
S23 Mo7 O7 107.25(14) . . ?
S24 Mo7 O7 106.05(14) . . ?
S21 Mo8 S22 79.32(4) . . ?
S21 Mo8 S24 101.99(4) . . ?
S21 Mo8 S25 147.17(4) . . ?
S21 Mo8 O8 106.84(12) . . ?
S22 Mo8 S24 144.31(4) . . ?
S22 Mo8 S25 81.59(4) . . ?
S22 Mo8 O8 106.61(12) . . ?
S24 Mo8 S25 78.93(4) . . ?
S24 Mo8 O8 106.99(12) . . ?
S25 Mo8 O8 104.09(12) . . ?
S27 Mo9 S28 77.71(6) . . ?
S27 Mo9 S30 101.89(5) . . ?
S27 Mo9 S31 140.38(5) . . ?
S27 Mo9 O9 108.92(16) . . ?
S28 Mo9 S30 148.48(5) . . ?
S28 Mo9 S31 81.35(6) . . ?
S28 Mo9 O9 103.90(15) . . ?
S30 Mo9 S31 79.63(5) . . ?
S30 Mo9 O9 105.88(15) . . ?
S31 Mo9 O9 108.57(16) . . ?
S26 Mo10 S27 78.76(5) . . ?
S26 Mo10 S29 81.01(4) . . ?
S26 Mo10 S30 146.46(5) . . ?
S26 Mo10 O10 105.55(14) . . ?
S27 Mo10 S29 143.90(5) . . ?
S27 Mo10 S30 102.22(5) . . ?
S27 Mo10 O10 107.02(15) . . ?
S29 Mo10 S30 79.35(4) . . ?
S29 Mo10 O10 107.06(15) . . ?
S30 Mo10 O10 106.08(14) . . ?
S33 Mo11 S34 79.04(5) . . ?
S33 Mo11 S35 101.78(4) . . ?
S33 Mo11 S37 145.95(5) . . ?
S33 Mo11 O11 108.42(15) . . ?
S34 Mo11 S35 144.46(5) . . ?
S34 Mo11 S37 81.23(5) . . ?
S34 Mo11 O11 105.70(13) . . ?
S35 Mo11 S37 79.18(5) . . ?
S35 Mo11 O11 107.55(14) . . ?
S37 Mo11 O11 103.49(15) . . ?
S32 Mo12 S33 79.10(5) . . ?
S32 Mo12 S35 145.24(5) . . ?
S32 Mo12 S36 81.22(5) . . ?
S32 Mo12 O12 105.01(15) . . ?
S33 Mo12 S35 101.75(5) . . ?
S33 Mo12 S36 144.89(5) . . ?
S33 Mo12 O12 106.97(13) . . ?
S35 Mo12 S36 78.99(4) . . ?
S35 Mo12 O12 107.78(15) . . ?
S36 Mo12 O12 106.06(13) . . ?
O13 Rb1 O14 58.20(11) . . ?
O13 Rb1 O15 115.29(11) . . ?
O13 Rb1 O16 147.12(11) . . ?
O13 Rb1 O17 108.77(10) . . ?
O13 Rb1 O18 52.66(10) . . ?
O13 Rb1 N2 90.34(17) . . ?
O14 Rb1 O15 59.59(11) . . ?
O14 Rb1 O16 110.45(10) . . ?
O14 Rb1 O17 141.02(11) . . ?
O14 Rb1 O18 106.84(10) . . ?
O14 Rb1 N2 132.50(18) . . ?
O15 Rb1 O16 53.09(10) . . ?
O15 Rb1 O17 107.81(10) . . ?
O15 Rb1 O18 141.36(10) . . ?
O15 Rb1 N2 147.99(16) . . ?
O16 Rb1 O17 58.55(10) . . ?
O16 Rb1 O18 113.93(10) . . ?
O16 Rb1 N2 114.01(17) . . ?
O17 Rb1 O18 57.95(10) . . ?
O17 Rb1 N2 79.14(17) . . ?
O18 Rb1 N2 69.27(15) . . ?
O1 Rb2 O8 151.60(11) . . ?
O1 Rb2 O19 99.09(12) . . ?
O1 Rb2 O20 129.50(11) . . ?
O1 Rb2 O21 125.24(11) . . ?
O1 Rb2 O22 97.26(12) . . ?
O1 Rb2 O23 73.30(11) . . ?
O1 Rb2 O24 76.34(11) . . ?
O8 Rb2 O19 76.68(11) . . ?
O8 Rb2 O20 73.67(10) . . ?
O8 Rb2 O21 78.45(10) . . ?
O8 Rb2 O22 83.96(10) . . ?
O8 Rb2 O23 82.77(10) . . ?
O8 Rb2 O24 78.64(10) . . ?
O19 Rb2 O20 61.61(10) . . ?
O19 Rb2 O21 121.11(10) . . ?
O19 Rb2 O22 160.59(11) . . ?
O19 Rb2 O23 114.13(10) . . ?
O19 Rb2 O24 54.53(10) . . ?
O20 Rb2 O21 60.41(9) . . ?
O20 Rb2 O22 114.29(10) . . ?
O20 Rb2 O23 156.42(10) . . ?
O20 Rb2 O24 114.35(10) . . ?
O21 Rb2 O22 54.80(9) . . ?
O21 Rb2 O23 114.45(10) . . ?
O21 Rb2 O24 157.00(10) . . ?
O22 Rb2 O23 61.16(10) . . ?
O22 Rb2 O24 120.36(10) . . ?
O23 Rb2 O24 60.30(10) . . ?
O25 Rb3 O26 54.43(15) . . ?
O25 Rb3 O27 108.24(18) . . ?
O25 Rb3 O28 133.89(18) . . ?
O25 Rb3 O29 100.54(16) . . ?
O25 Rb3 O30 49.73(14) . . ?
O25 Rb3 O32 131.95(15) . 3_567 ?
O25 Rb3 N1 72.6(3) . . ?
O25 Rb3 O34 125.6(6) . . ?
O26 Rb3 O27 57.23(17) . . ?
O26 Rb3 O28 104.57(15) . . ?
O26 Rb3 O29 125.56(16) . . ?
O26 Rb3 O30 99.04(16) . . ?
O26 Rb3 O32 168.44(16) . 3_567 ?
O26 Rb3 N1 96.4(3) . . ?
O26 Rb3 O34 91.7(5) . . ?
O27 Rb3 O28 52.05(14) . . ?
O27 Rb3 O29 101.46(13) . . ?
O27 Rb3 O30 130.92(16) . . ?
O27 Rb3 O32 119.34(17) . 3_567 ?
O27 Rb3 N1 134.5(2) . . ?
O27 Rb3 O34 73.8(4) . . ?
O28 Rb3 O29 55.37(12) . . ?
O28 Rb3 O30 107.36(13) . . ?
O28 Rb3 O32 77.47(14) . 3_567 ?
O28 Rb3 N1 152.9(3) . . ?
O28 Rb3 O34 91.5(6) . . ?
O29 Rb3 O30 54.99(12) . . ?
O29 Rb3 O32 65.14(14) . 3_567 ?
O29 Rb3 N1 123.5(2) . . ?
O29 Rb3 O34 133.2(6) . . ?
O30 Rb3 O32 91.05(15) . 3_567 ?
O30 Rb3 N1 85.7(3) . . ?
O30 Rb3 O34 154.9(4) . . ?
O32 Rb3 N1 78.6(3) 3_567 . ?
O32 Rb3 O34 76.8(5) 3_567 . ?
N1 Rb3 O34 70.6(5) . . ?
O31 Rb4 O31 144.71(15) . 3_567 ?
O31 Rb4 O32 63.8(2) . . ?
O31 Rb4 O32 105.6(2) 3_567 . ?
O31 Rb4 O32 111.4(2) . 3_567 ?
O31 Rb4 O32 57.54(18) 3_567 3_567 ?
O31 Rb4 O33 110.0(3) . . ?
O31 Rb4 O33 64.0(2) . 3_567 ?
O31 Rb4 O33 109.4(2) 3_567 3_567 ?
O31 Rb4 O33 55.7(2) 3_567 . ?
O31 Rb4 N1 140.4(3) . . ?
O31 Rb4 N1 74.8(3) 3_567 . ?
O31 Rb4 O34 85.2(4) . . ?
O31 Rb4 O34 120.5(4) 3_567 . ?
O31 Rb4 O35 73.5(5) . . ?
O31 Rb4 O35 138.6(5) 3_567 . ?
O32 Rb4 O32 146.34(13) . 3_567 ?
O32 Rb4 O33 50.66(19) . . ?
O32 Rb4 O33 126.3(3) . 3_567 ?
O32 Rb4 O33 52.63(19) 3_567 3_567 ?
O32 Rb4 O33 109.81(17) 3_567 . ?
O32 Rb4 N1 113.2(3) . . ?
O32 Rb4 N1 91.5(3) 3_567 . ?
O32 Rb4 O34 130.8(4) . . ?
O32 Rb4 O34 78.8(5) 3_567 . ?
O32 Rb4 O35 73.6(4) . . ?
O32 Rb4 O35 139.2(5) 3_567 . ?
O33 Rb4 O33 147.74(13) . 3_567 ?
O33 Rb4 N1 90.4(4) . . ?
O33 Rb4 N1 114.5(4) 3_567 . ?
O33 Rb4 O34 156.8(5) . . ?
O33 Rb4 O34 54.4(5) 3_567 . ?
O33 Rb4 O35 105.6(5) . . ?
O33 Rb4 O35 102.7(5) 3_567 . ?
N1 Rb4 O34 67.5(5) . . ?
N1 Rb4 O35 68.4(5) . . ?
O34 Rb4 O35 60.9(7) . . ?
Ag2 S1 Mo1 88.43(4) . . ?
Ag2 S1 C1 110.4(2) . . ?
Mo1 S1 C1 107.2(2) . . ?
Ag2 S2 Mo1 87.52(4) . . ?
Ag2 S2 Mo2 116.23(4) . . ?
Mo1 S2 Mo2 75.48(4) . . ?
Ag1 S3 Mo2 92.55(4) . . ?
Ag1 S3 C3 103.62(17) . . ?
Mo2 S3 C3 103.05(18) . . ?
Ag5 S4 Mo1 97.24(4) . . ?
Ag5 S4 C2 103.1(2) . . ?
Mo1 S4 C2 104.12(19) . . ?
Ag6 S5 Mo1 112.96(5) . . ?
Ag6 S5 Mo2 88.54(4) . . ?
Mo1 S5 Mo2 75.52(4) . . ?
Ag6 S6 Mo2 89.58(4) . . ?
Ag6 S6 C4 115.58(16) . . ?
Mo2 S6 C4 108.75(16) . . ?
Ag2 S7 Mo4 92.56(5) . . ?
Ag2 S7 C5 104.5(2) . . ?
Mo4 S7 C5 103.7(2) . . ?
Ag1 S8 Mo3 86.92(4) . . ?
Ag1 S8 Mo4 114.81(5) . . ?
Mo3 S8 Mo4 76.22(4) . . ?
Ag1 S9 Mo3 86.91(4) . . ?
Ag1 S9 C8 111.19(19) . . ?
Mo3 S9 C8 108.63(19) . . ?
Ag3 S10 Mo4 87.05(4) . . ?
Ag3 S10 C6 113.1(2) . . ?
Mo4 S10 C6 108.60(19) . . ?
Ag3 S11 Mo3 112.92(5) . . ?
Ag3 S11 Mo4 85.32(5) . . ?
Mo3 S11 Mo4 76.01(4) . . ?
Ag5 S12 Mo5 84.85(4) . . ?
Ag5 S12 C9 111.21(18) . . ?
Mo5 S12 C9 107.82(19) . . ?
Ag5 S13 Mo5 82.83(4) . . ?
Ag5 S13 Mo6 108.10(4) . . ?
Mo5 S13 Mo6 76.25(4) . . ?
Ag4 S14 Mo3 91.35(4) . . ?
Ag4 S14 C7 103.56(19) . . ?
Mo3 S14 C7 104.03(18) . . ?
Ag6 S15 Mo6 93.48(4) . . ?
Ag6 S15 C11 102.42(18) . . ?
Mo6 S15 C11 103.60(19) . . ?
Ag3 S16 Mo5 95.39(4) . . ?
Ag3 S16 C10 104.47(18) . . ?
Mo5 S16 C10 102.58(19) . . ?
Ag4 S17 Mo5 115.18(5) . . ?
Ag4 S17 Mo6 88.30(4) . . ?
Mo5 S17 Mo6 76.57(4) . . ?
Ag4 S18 Mo6 90.67(4) . . ?
Ag4 S18 C12 114.30(18) . . ?
Mo6 S18 C12 109.14(18) . . ?
Ag1 S19 Ag2 75.96(4) . . ?
Ag1 S19 Ag3 121.07(5) . . ?
Ag1 S19 Ag4 84.22(4) . . ?
Ag1 S19 Ag5 150.31(5) . . ?
Ag1 S19 Ag6 91.17(4) . . ?
Ag2 S19 Ag3 83.44(4) . . ?
Ag2 S19 Ag4 139.09(5) . . ?
Ag2 S19 Ag5 94.23(5) . . ?
Ag2 S19 Ag6 129.86(5) . . ?
Ag3 S19 Ag4 76.70(4) . . ?
Ag3 S19 Ag5 84.62(4) . . ?
Ag3 S19 Ag6 140.39(5) . . ?
Ag4 S19 Ag5 118.63(5) . . ?
Ag4 S19 Ag6 85.25(4) . . ?
Ag5 S19 Ag6 73.52(4) . . ?
Ag10 S20 Mo7 91.16(4) . . ?
Ag10 S20 C13 104.4(2) . . ?
Mo7 S20 C13 103.67(18) . . ?
Ag9 S21 Mo7 112.83(4) . . ?
Ag9 S21 Mo8 85.25(4) . . ?
Mo7 S21 Mo8 75.37(4) . . ?
Ag9 S22 Mo8 87.31(4) . . ?
Ag9 S22 C15 113.71(16) . . ?
Mo8 S22 C15 108.37(15) . . ?
Ag12 S23 Mo7 88.95(4) . . ?
Ag12 S23 C14 113.7(2) . . ?
Mo7 S23 C14 107.99(18) . . ?
Ag12 S24 Mo7 89.54(4) . . ?
Ag12 S24 Mo8 116.14(5) . . ?
Mo7 S24 Mo8 75.45(4) . . ?
Ag11 S25 Mo8 93.88(4) . . ?
Ag11 S25 C16 104.20(16) . . ?
Mo8 S25 C16 103.47(16) . . ?
Ag8 S26 Mo10 91.52(4) . . ?
Ag8 S26 C19 107.1(2) . . ?
Mo10 S26 C19 108.68(19) . . ?
Ag8 S27 Mo9 116.97(6) . . ?
Ag8 S27 Mo10 86.48(4) . . ?
Mo9 S27 Mo10 75.89(4) . . ?
Ag7 S28 Mo9 96.07(5) . . ?
Ag7 S28 C17 104.3(2) . . ?
Mo9 S28 C17 104.5(2) . . ?
Ag9 S29 Mo10 97.61(4) . . ?
Ag9 S29 C20 103.1(2) . . ?
Mo10 S29 C20 103.4(2) . . ?
Ag10 S30 Mo9 87.37(4) . . ?
Ag10 S30 Mo10 110.63(5) . . ?
Mo9 S30 Mo10 75.37(4) . . ?
Ag10 S31 Mo9 88.40(4) . . ?
Ag10 S31 C18 111.1(2) . . ?
Mo9 S31 C18 108.2(2) . . ?
Ag8 S32 Mo12 92.32(5) . . ?
Ag8 S32 C23 104.65(19) . . ?
Mo12 S32 C23 104.34(19) . . ?
Ag7 S33 Mo11 84.05(4) . . ?
Ag7 S33 Mo12 112.86(5) . . ?
Mo11 S33 Mo12 76.13(4) . . ?
Ag7 S34 Mo11 90.59(4) . . ?
Ag7 S34 C22 107.59(19) . . ?
Mo11 S34 C22 108.3(2) . . ?
Ag11 S35 Mo11 111.29(4) . . ?
Ag11 S35 Mo12 85.70(4) . . ?
Mo11 S35 Mo12 76.24(4) . . ?
Ag11 S36 Mo12 86.55(4) . . ?
Ag11 S36 C24 108.32(17) . . ?
Mo12 S36 C24 108.60(17) . . ?
Ag12 S37 Mo11 100.01(5) . . ?
Ag12 S37 C21 103.86(19) . . ?
Mo11 S37 C21 101.6(2) . . ?
Ag7 S38 Ag8 74.08(4) . . ?
Ag7 S38 Ag9 146.02(5) . . ?
Ag7 S38 Ag10 96.86(4) . . ?
Ag7 S38 Ag11 119.27(5) . . ?
Ag7 S38 Ag12 88.23(4) . . ?
Ag8 S38 Ag9 85.69(4) . . ?
Ag8 S38 Ag10 126.30(5) . . ?
Ag8 S38 Ag11 81.44(4) . . ?
Ag8 S38 Ag12 140.19(5) . . ?
Ag9 S38 Ag10 73.29(3) . . ?
Ag9 S38 Ag11 83.18(4) . . ?
Ag9 S38 Ag12 123.49(5) . . ?
Ag10 S38 Ag11 140.68(5) . . ?
Ag10 S38 Ag12 90.44(4) . . ?
Ag11 S38 Ag12 76.67(4) . . ?
Mo1 O1 Rb2 166.6(2) . . ?
Mo8 O8 Rb2 158.41(18) . . ?
Rb1 O13 C30 112.4(3) . . ?
Rb1 O13 C31 116.0(3) . . ?
C30 O13 C31 117.6(4) . . ?
Rb1 O14 C32 115.6(3) . . ?
Rb1 O14 C33 112.8(3) . . ?
C32 O14 C33 110.6(4) . . ?
Rb1 O15 C34 116.1(3) . . ?
Rb1 O15 C35 120.9(3) . . ?
C34 O15 C35 117.1(4) . . ?
Rb1 O16 C40 120.1(3) . . ?
Rb1 O16 C41 113.1(3) . . ?
C40 O16 C41 117.8(4) . . ?
Rb1 O17 C42 118.2(3) . . ?
Rb1 O17 C43 118.6(3) . . ?
C42 O17 C43 111.5(4) . . ?
Rb1 O18 C25 109.6(3) . . ?
Rb1 O18 C44 112.7(3) . . ?
C25 O18 C44 117.3(4) . . ?
Rb2 O19 C50 118.5(3) . . ?
Rb2 O19 C51 115.2(3) . . ?
C50 O19 C51 119.7(4) . . ?
Rb2 O20 C52 107.0(3) . . ?
Rb2 O20 C53 111.1(2) . . ?
C52 O20 C53 111.2(3) . . ?
Rb2 O21 C54 115.9(3) . . ?
Rb2 O21 C55 119.1(3) . . ?
C54 O21 C55 117.7(4) . . ?
Rb2 O22 C60 121.5(3) . . ?
Rb2 O22 C61 116.0(3) . . ?
C60 O22 C61 116.8(4) . . ?
Rb2 O23 C62 110.4(3) . . ?
Rb2 O23 C63 112.5(3) . . ?
C62 O23 C63 110.9(4) . . ?
Rb2 O24 C45 116.9(3) . . ?
Rb2 O24 C64 114.8(3) . . ?
C45 O24 C64 117.2(4) . . ?
Rb3 O25 C70 104.0(6) . . ?
Rb3 O25 C71 116.5(6) . . ?
C70 O25 C71 117.5(6) . . ?
Rb3 O26 C72 119.9(4) . . ?
Rb3 O26 C73 115.0(5) . . ?
C72 O26 C73 111.8(7) . . ?
Rb3 O27 C74 110.3(4) . . ?
Rb3 O27 C75 105.7(5) . . ?
C74 O27 C75 119.2(6) . . ?
Rb3 O28 C80 107.4(4) . . ?
Rb3 O28 C81 117.6(4) . . ?
C80 O28 C81 118.4(6) . . ?
Rb3 O29 C82 116.6(4) . . ?
Rb3 O29 C83 115.8(3) . . ?
C82 O29 C83 111.0(5) . . ?
Rb3 O30 C65 104.2(4) . . ?
Rb3 O30 C84 119.4(4) . . ?
C65 O30 C84 116.5(5) . . ?
Rb4 O31 Rb4 35.29(15) . 3_567 ?
Rb4 O31 C86 122.7(6) . . ?
Rb4 O31 C86 108.0(5) 3_567 . ?
Rb4 O31 C87 117.6(6) . . ?
Rb4 O31 C87 102.8(5) 3_567 . ?
C86 O31 C87 111.8(10) . . ?
Rb3 O32 Rb4 113.89(18) 3_567 . ?
Rb3 O32 Rb4 80.53(15) 3_567 3_567 ?
Rb3 O32 C88 103.6(6) 3_567 . ?
Rb3 O32 C89 124.7(5) 3_567 . ?
Rb4 O32 Rb4 33.66(13) . 3_567 ?
Rb4 O32 C88 102.2(5) . . ?
Rb4 O32 C88 116.1(5) 3_567 . ?
Rb4 O32 C89 95.5(5) . . ?
Rb4 O32 C89 112.7(5) 3_567 . ?
C88 O32 C89 114.9(7) . . ?
Rb4 O33 Rb4 32.26(13) . 3_567 ?
Rb4 O33 C85 105.8(6) 3_567 3_567 ?
Rb4 O33 C85 115.2(7) . 3_567 ?
Rb4 O33 C94 88.0(5) . . ?
Rb4 O33 C94 118.3(5) 3_567 . ?
C85 O33 C94 117.5(10) 3_567 . ?
S1 C1 C2 112.7(4) . . ?
S4 C2 C1 109.6(4) . . ?
S3 C3 C4 111.1(3) . . ?
S6 C4 C3 111.3(3) . . ?
S7 C5 C6 111.0(4) . . ?
S10 C6 C5 112.6(5) . . ?
S14 C7 C8 111.7(4) . . ?
S9 C8 C7 112.0(4) . . ?
S12 C9 C10 112.0(4) . . ?
S16 C10 C9 110.7(3) . . ?
S15 C11 C12 111.3(3) . . ?
S18 C12 C11 112.6(3) . . ?
S20 C13 C14 111.2(4) . . ?
S23 C14 C13 111.7(4) . . ?
S22 C15 C16 112.7(3) . . ?
S25 C16 C15 111.8(3) . . ?
S28 C17 C18 111.1(4) . . ?
S31 C18 C17 111.8(5) . . ?
S26 C19 C20 112.7(4) . . ?
S29 C20 C19 110.9(4) . . ?
S37 C21 C22 111.0(4) . . ?
S34 C22 C21 111.3(4) . . ?
S32 C23 C24 110.8(3) . . ?
S36 C24 C23 112.0(4) . . ?
O18 C25 C26 124.2(5) . . ?
O18 C25 C30 115.9(4) . . ?
C26 C25 C30 119.8(5) . . ?
C25 C26 C27 121.2(6) . . ?
C26 C27 C28 119.2(6) . . ?
C27 C28 C29 120.3(6) . . ?
C28 C29 C30 120.4(6) . . ?
O13 C30 C25 116.2(5) . . ?
O13 C30 C29 125.0(5) . . ?
C25 C30 C29 118.9(5) . . ?
O13 C31 C32 107.3(5) . . ?
O14 C32 C31 110.2(5) . . ?
O14 C33 C34 110.7(4) . . ?
O15 C34 C33 109.3(4) . . ?
O15 C35 C36 123.6(5) . . ?
O15 C35 C40 115.6(4) . . ?
C36 C35 C40 120.6(5) . . ?
C35 C36 C37 119.3(6) . . ?
C36 C37 C38 120.1(6) . . ?
C37 C38 C39 121.0(6) . . ?
C38 C39 C40 119.1(6) . . ?
O16 C40 C35 115.2(4) . . ?
O16 C40 C39 124.8(5) . . ?
C35 C40 C39 119.9(5) . . ?
O16 C41 C42 108.0(4) . . ?
O17 C42 C41 109.9(4) . . ?
O17 C43 C44 109.0(4) . . ?
O18 C44 C43 109.5(4) . . ?
O24 C45 C46 123.9(5) . . ?
O24 C45 C50 115.6(4) . . ?
C46 C45 C50 120.5(5) . . ?
C45 C46 C47 119.4(6) . . ?
C46 C47 C48 120.3(6) . . ?
C47 C48 C49 120.8(6) . . ?
C48 C49 C50 118.9(6) . . ?
O19 C50 C45 116.0(4) . . ?
O19 C50 C49 123.8(5) . . ?
C45 C50 C49 120.1(5) . . ?
O19 C51 C52 108.4(4) . . ?
O20 C52 C51 110.2(4) . . ?
O20 C53 C54 110.0(4) . . ?
O21 C54 C53 107.9(4) . . ?
O21 C55 C56 124.5(4) . . ?
O21 C55 C60 115.4(4) . . ?
C56 C55 C60 120.0(4) . . ?
C55 C56 C57 120.1(4) . . ?
C56 C57 C58 119.8(5) . . ?
C57 C58 C59 120.0(4) . . ?
C58 C59 C60 120.7(4) . . ?
O22 C60 C55 115.4(4) . . ?
O22 C60 C59 125.2(4) . . ?
C55 C60 C59 119.3(4) . . ?
O22 C61 C62 108.8(4) . . ?
O23 C62 C61 110.0(4) . . ?
O23 C63 C64 110.0(4) . . ?
O24 C64 C63 108.6(4) . . ?
O30 C65 C66 126.4(6) . . ?
O30 C65 C70 114.3(6) . . ?
C66 C65 C70 119.1(6) . . ?
C65 C66 C67 119.9(7) . . ?
C66 C67 C68 120.6(9) . . ?
C67 C68 C69 119.5(8) . . ?
C68 C69 C70 119.9(8) . . ?
O25 C70 C65 113.4(6) . . ?
O25 C70 C69 125.8(7) . . ?
C65 C70 C69 120.8(8) . . ?
O25 C71 C72 106.1(7) . . ?
O26 C72 C71 108.0(9) . . ?
O26 C73 C74 108.3(6) . . ?
O27 C74 C73 108.0(6) . . ?
O27 C75 C76 127.0(12) . . ?
O27 C75 C76A 111(3) . . ?
O27 C75 C80 117.2(7) . . ?
C76 C75 C76A 26(3) . . ?
C76 C75 C80 115.7(12) . . ?
C76A C75 C80 128(3) . . ?
C75 C76 C77 119.9(16) . . ?
C75 C76A C77A 113(6) . . ?
C76 C77 C78 125.4(16) . . ?
C76A C77A C78A 116(6) . . ?
C77 C78 C79 117.4(18) . . ?
C77A C78A C79 128(6) . . ?
C78 C79 C78A 29(3) . . ?
C78 C79 C80 120.4(15) . . ?
C78A C79 C80 105(3) . . ?
O28 C80 C75 115.3(8) . . ?
O28 C80 C79 123.5(9) . . ?
C75 C80 C79 121.1(9) . . ?
O28 C81 C82 107.1(6) . . ?
O29 C82 C81 108.9(6) . . ?
O29 C83 C84 110.1(6) . . ?
O30 C84 C83 106.3(6) . . ?
O33 C85 C86 108.1(10) 3_567 . ?
O31 C86 C85 101.9(11) . . ?
O31 C87 C88 107.3(9) . . ?
O32 C88 C87 106.0(7) . . ?
O32 C89 C90 124.9(8) . . ?
O32 C89 C94 117.2(8) . . ?
C90 C89 C94 117.9(10) . . ?
C89 C90 C91 121.3(9) . . ?
C90 C91 C92 120.2(11) . . ?
C91 C92 C93 117.8(14) . . ?
C92 C93 C94 123.5(12) . . ?
O33 C94 C89 112.6(10) . . ?
O33 C94 C93 128.7(10) . . ?
C89 C94 C93 118.6(10) . . ?
C106 C105 C107 124.0(15) . 3_667 ?
C105 C106 C107 116.9(17) . . ?
C105 C107 C106 119.0(16) 3_667 . ?
Rb3 N1 Rb4 88.1(3) . . ?
Rb3 N1 C95 135.9(14) . . ?
Rb4 N1 C95 121.5(14) . . ?
N1 C95 C96 179(2) . . ?
Rb1 N2 C97 153.4(6) . . ?
N2 C97 C98 177.6(10) . . ?
N3 C99 C100 176(2) . . ?
N4 C101 C102 173.4(13) . . ?
N5 C103 C104 174.7(10) . . ?
Rb3 O34 Rb4 94.8(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 S3 2.5188(13) . ?
Ag1 S8 2.7480(13) . ?
Ag1 S9 2.6611(13) . ?
Ag1 S19 2.5469(14) . ?
Ag2 S1 2.6410(14) . ?
Ag2 S2 2.7759(13) . ?
Ag2 S7 2.4948(15) . ?
Ag2 S19 2.5329(13) . ?
Ag3 S10 2.6355(15) . ?
Ag3 S11 2.7955(14) . ?
Ag3 S16 2.5080(13) . ?
Ag3 S19 2.4983(14) . ?
Ag4 S14 2.5051(14) . ?
Ag4 S17 2.8274(13) . ?
Ag4 S18 2.6504(13) . ?
Ag4 S19 2.4886(14) . ?
Ag5 S4 2.5214(13) . ?
Ag5 S12 2.6103(13) . ?
Ag5 S13 2.7781(13) . ?
Ag5 S19 2.5284(13) . ?
Ag6 S5 2.7575(13) . ?
Ag6 S6 2.6409(13) . ?
Ag6 S15 2.5054(13) . ?
Ag6 S19 2.5413(14) . ?
Ag7 S28 2.5374(16) . ?
Ag7 S33 2.9415(14) . ?
Ag7 S34 2.5830(15) . ?
Ag7 S38 2.5284(13) . ?
Ag8 S26 2.6277(15) . ?
Ag8 S27 2.9324(15) . ?
Ag8 S32 2.5195(15) . ?
Ag8 S38 2.5031(14) . ?
Ag9 S21 2.8096(13) . ?
Ag9 S22 2.6399(12) . ?
Ag9 S29 2.5235(13) . ?
Ag9 S38 2.5650(14) . ?
Ag10 S20 2.5231(14) . ?
Ag10 S30 2.7564(13) . ?
Ag10 S31 2.6451(14) . ?
Ag10 S38 2.5378(13) . ?
Ag11 S25 2.5266(12) . ?
Ag11 S35 2.7885(12) . ?
Ag11 S36 2.6602(13) . ?
Ag11 S38 2.5167(13) . ?
Ag12 S23 2.6739(13) . ?
Ag12 S24 2.7420(13) . ?
Ag12 S37 2.5100(13) . ?
Ag12 S38 2.5385(14) . ?
Mo1 S1 2.4537(15) . ?
Mo1 S2 2.3450(13) . ?
Mo1 S4 2.4228(13) . ?
Mo1 S5 2.3280(14) . ?
Mo1 O1 1.674(4) . ?
Mo2 S2 2.3350(13) . ?
Mo2 S3 2.4315(12) . ?
Mo2 S5 2.3495(13) . ?
Mo2 S6 2.4317(13) . ?
Mo2 O2 1.680(4) . ?
Mo3 S8 2.3429(13) . ?
Mo3 S9 2.4431(14) . ?
Mo3 S11 2.3369(14) . ?
Mo3 S14 2.4314(14) . ?
Mo3 O3 1.687(4) . ?
Mo4 S7 2.4418(16) . ?
Mo4 S8 2.3326(13) . ?
Mo4 S10 2.4453(15) . ?
Mo4 S11 2.3495(14) . ?
Mo4 O4 1.686(4) . ?
Mo5 S12 2.4375(13) . ?
Mo5 S13 2.3506(13) . ?
Mo5 S16 2.4294(13) . ?
Mo5 S17 2.3292(13) . ?
Mo5 O5 1.670(3) . ?
Mo6 S13 2.3389(13) . ?
Mo6 S15 2.4353(13) . ?
Mo6 S17 2.3435(13) . ?
Mo6 S18 2.4325(13) . ?
Mo6 O6 1.683(4) . ?
Mo7 S20 2.4352(13) . ?
Mo7 S21 2.3334(12) . ?
Mo7 S23 2.4491(13) . ?
Mo7 S24 2.3435(12) . ?
Mo7 O7 1.683(4) . ?
Mo8 S21 2.3480(12) . ?
Mo8 S22 2.4396(12) . ?
Mo8 S24 2.3336(12) . ?
Mo8 S25 2.4246(12) . ?
Mo8 O8 1.686(3) . ?
Mo9 S27 2.3275(15) . ?
Mo9 S28 2.4351(15) . ?
Mo9 S30 2.3509(14) . ?
Mo9 S31 2.4272(15) . ?
Mo9 O9 1.698(4) . ?
Mo10 S26 2.4397(14) . ?
Mo10 S27 2.3318(15) . ?
Mo10 S29 2.4367(13) . ?
Mo10 S30 2.3360(13) . ?
Mo10 O10 1.687(4) . ?
Mo11 S33 2.3438(15) . ?
Mo11 S34 2.4321(13) . ?
Mo11 S35 2.3304(12) . ?
Mo11 S37 2.4396(14) . ?
Mo11 O11 1.683(3) . ?
Mo12 S32 2.4259(15) . ?
Mo12 S33 2.3338(13) . ?
Mo12 S35 2.3417(13) . ?
Mo12 S36 2.4464(12) . ?
Mo12 O12 1.688(4) . ?
Rb1 O13 2.884(4) . ?
Rb1 O14 2.903(4) . ?
Rb1 O15 2.866(4) . ?
Rb1 O16 2.892(4) . ?
Rb1 O17 2.882(4) . ?
Rb1 O18 2.975(4) . ?
Rb1 N2 2.937(7) . ?
Rb2 O1 2.804(4) . ?
Rb2 O8 2.880(3) . ?
Rb2 O19 2.798(4) . ?
Rb2 O20 2.856(3) . ?
Rb2 O21 2.834(3) . ?
Rb2 O22 2.779(3) . ?
Rb2 O23 2.839(3) . ?
Rb2 O24 2.859(4) . ?
Rb3 O25 3.018(8) . ?
Rb3 O26 3.045(5) . ?
Rb3 O27 2.967(5) . ?
Rb3 O28 2.925(5) . ?
Rb3 O29 3.095(4) . ?
Rb3 O30 2.998(6) . ?
Rb3 O32 3.537(7) 3_567 ?
Rb3 N1 3.166(15) . ?
Rb3 O34 2.627(17) . ?
Rb4 O31 2.549(8) . ?
Rb4 O31 2.930(7) 3_567 ?
Rb4 O32 2.841(7) . ?
Rb4 O32 3.006(6) 3_567 ?
Rb4 O33 3.174(7) . ?
Rb4 O33 2.828(7) 3_567 ?
Rb4 N1 2.940(16) . ?
Rb4 O34 3.128(18) . ?
Rb4 O35 2.96(2) . ?
S1 C1 1.826(6) . ?
S3 C3 1.824(5) . ?
S4 C2 1.831(6) . ?
S6 C4 1.825(5) . ?
S7 C5 1.826(6) . ?
S9 C8 1.831(5) . ?
S10 C6 1.833(7) . ?
S12 C9 1.828(5) . ?
S14 C7 1.826(6) . ?
S15 C11 1.823(5) . ?
S16 C10 1.829(5) . ?
S18 C12 1.826(5) . ?
S20 C13 1.815(5) . ?
S22 C15 1.835(5) . ?
S23 C14 1.830(5) . ?
S25 C16 1.829(5) . ?
S26 C19 1.814(6) . ?
S28 C17 1.801(7) . ?
S29 C20 1.827(5) . ?
S31 C18 1.829(6) . ?
S32 C23 1.836(5) . ?
S34 C22 1.810(6) . ?
S36 C24 1.838(5) . ?
S37 C21 1.815(6) . ?
O13 C30 1.357(6) . ?
O13 C31 1.427(6) . ?
O14 C32 1.429(7) . ?
O14 C33 1.432(7) . ?
O15 C34 1.432(6) . ?
O15 C35 1.381(6) . ?
O16 C40 1.381(6) . ?
O16 C41 1.433(6) . ?
O17 C42 1.420(6) . ?
O17 C43 1.425(6) . ?
O18 C25 1.371(6) . ?
O18 C44 1.429(6) . ?
O19 C50 1.364(6) . ?
O19 C51 1.424(6) . ?
O20 C52 1.437(5) . ?
O20 C53 1.425(6) . ?
O21 C54 1.441(5) . ?
O21 C55 1.377(5) . ?
O22 C60 1.367(6) . ?
O22 C61 1.426(5) . ?
O23 C62 1.418(6) . ?
O23 C63 1.420(6) . ?
O24 C45 1.372(6) . ?
O24 C64 1.428(6) . ?
O25 C70 1.368(10) . ?
O25 C71 1.455(9) . ?
O26 C72 1.408(11) . ?
O26 C73 1.431(9) . ?
O27 C74 1.441(9) . ?
O27 C75 1.345(11) . ?
O28 C80 1.373(9) . ?
O28 C81 1.439(8) . ?
O29 C82 1.417(7) . ?
O29 C83 1.420(9) . ?
O30 C65 1.364(8) . ?
O30 C84 1.444(8) . ?
O31 Rb4 2.930(7) 3_567 ?
O31 C86 1.457(12) . ?
O31 C87 1.439(13) . ?
O32 Rb3 3.538(7) 3_567 ?
O32 Rb4 3.006(6) 3_567 ?
O32 C88 1.419(10) . ?
O32 C89 1.381(12) . ?
O33 Rb4 2.828(7) 3_567 ?
O33 C85 1.428(14) 3_567 ?
O33 C94 1.379(12) . ?
C1 C2 1.486(9) . ?
C3 C4 1.515(7) . ?
C5 C6 1.515(8) . ?
C7 C8 1.502(8) . ?
C9 C10 1.493(8) . ?
C11 C12 1.511(8) . ?
C13 C14 1.516(8) . ?
C15 C16 1.507(7) . ?
C17 C18 1.490(10) . ?
C19 C20 1.498(9) . ?
C21 C22 1.496(9) . ?
C23 C24 1.499(7) . ?
C25 C26 1.389(7) . ?
C25 C30 1.402(7) . ?
C26 C27 1.366(9) . ?
C27 C28 1.392(11) . ?
C28 C29 1.392(10) . ?
C29 C30 1.383(8) . ?
C31 C32 1.494(9) . ?
C33 C34 1.496(8) . ?
C35 C36 1.393(7) . ?
C35 C40 1.388(7) . ?
C36 C37 1.398(9) . ?
C37 C38 1.375(10) . ?
C38 C39 1.393(9) . ?
C39 C40 1.401(7) . ?
C41 C42 1.519(7) . ?
C43 C44 1.502(7) . ?
C45 C46 1.377(8) . ?
C45 C50 1.401(7) . ?
C46 C47 1.394(9) . ?
C47 C48 1.367(10) . ?
C48 C49 1.408(9) . ?
C49 C50 1.377(7) . ?
C51 C52 1.494(7) . ?
C53 C54 1.506(6) . ?
C55 C56 1.383(7) . ?
C55 C60 1.405(6) . ?
C56 C57 1.401(7) . ?
C57 C58 1.381(7) . ?
C58 C59 1.394(7) . ?
C59 C60 1.384(6) . ?
C61 C62 1.502(7) . ?
C63 C64 1.507(7) . ?
C65 C66 1.363(10) . ?
C65 C70 1.425(10) . ?
C66 C67 1.405(11) . ?
C67 C68 1.371(13) . ?
C68 C69 1.410(14) . ?
C69 C70 1.350(11) . ?
C71 C72 1.510(14) . ?
C73 C74 1.501(13) . ?
C75 C76 1.432(18) . ?
C75 C76A 1.43(6) . ?
C75 C80 1.384(12) . ?
C76 C77 1.35(2) . ?
C76A C77A 1.40(8) . ?
C77 C78 1.30(3) . ?
C77A C78A 1.37(10) . ?
C78 C79 1.40(2) . ?
C78A C79 1.59(8) . ?
C79 C80 1.401(14) . ?
C81 C82 1.513(10) . ?
C83 C84 1.510(10) . ?
C85 O33 1.428(14) 3_567 ?
C85 C86 1.662(19) . ?
C87 C88 1.522(13) . ?
C89 C90 1.391(11) . ?
C89 C94 1.427(13) . ?
C90 C91 1.371(15) . ?
C91 C92 1.373(17) . ?
C92 C93 1.397(18) . ?
C93 C94 1.330(18) . ?
C105 C106 1.40(2) . ?
C105 C107 1.33(3) 3_667 ?
C106 C107 1.31(2) . ?
C107 C105 1.33(3) 3_667 ?
N1 C95 1.172(13) . ?
C95 C96 1.413(13) . ?
N2 C97 1.140(9) . ?
C97 C98 1.433(10) . ?
N3 C99 1.185(13) . ?
C99 C100 1.400(12) . ?
N4 C101 1.196(11) . ?
C101 C102 1.344(11) . ?
N5 C103 1.176(10) . ?
C103 C104 1.452(11) . ?
