#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:05:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179230 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/50/4315032.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_4315032
loop_
_publ_author_name
'Sabrina Sculfort'
'Richard Welter'
'Pierre Braunstein'
_publ_contact_author_address
;
Institut Le Bel, rue Blaise Pascal, 67081 STRASBOURG, FRANCE
;
_publ_contact_author_email       braunstein@unistra.fr
_publ_contact_author_fax         0368851322
_publ_contact_author_name
;
Pierre Braunstein
;
_publ_contact_author_phone       0368851308
_publ_section_title
;
 Heterometallic Chains and Clusters with Gold-Transition Metal Bonds:
 Synthesis and Interconversion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2372
_journal_page_last               2382
_journal_paper_doi               10.1021/ic902245v
_journal_volume                  49
_journal_year                    2010
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C39 H20 Ag3 Cu Mo4 O12, C7 H8'
_chemical_formula_sum            'C39 H28 Ag3 Cu Mo4 O12'
_chemical_formula_weight         1459.52
_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_date             10-03-06
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.54(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.5163(5)
_cell_length_b                   12.3964(4)
_cell_length_c                   22.1469(7)
_cell_measurement_reflns_used    16102
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     4141.8(9)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'π scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            25862
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    3.121
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'yellow orange'
_exptl_crystal_density_diffrn    2.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.456
_refine_diff_density_min         -2.287
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         12097
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                7188
_reflns_number_total             12097
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902245v_si_008.cif
_cod_data_source_block           mo4_ag3_cu_ordered_lydia
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4315032
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 -0.14703(3) -0.28161(4) -0.36128(2) 0.03646(13) Uani 1 1 d . . .
Ag2 Ag -0.16878(3) -0.39181(5) -0.25500(3) 0.04446(15) Uani 1 1 d . . .
Ag3 Ag -0.35399(3) -0.36744(4) -0.36768(2) 0.03445(13) Uani 1 1 d . . .
Mo1 Mo -0.00655(3) -0.30677(4) -0.22131(3) 0.02889(13) Uani 1 1 d . . .
Mo2 Mo -0.30527(3) -0.47278(4) -0.23888(3) 0.02697(13) Uani 1 1 d . . .
Mo3 Mo -0.47191(3) -0.22723(4) -0.47716(3) 0.02536(12) Uani 1 1 d . . .
Mo4 Mo -0.19924(3) -0.30418(4) -0.50451(3) 0.02649(13) Uani 1 1 d . . .
Cu1 Cu -0.31978(4) -0.27609(6) -0.46790(4) 0.02720(17) Uani 1 1 d . . .
O1 O -0.3830(3) -0.3130(4) -0.6435(2) 0.0416(12) Uani 1 1 d . . .
O2 O -0.2440(3) -0.0648(4) -0.4878(3) 0.0493(13) Uani 1 1 d . . .
O3 O -0.2545(3) -0.5047(4) -0.4486(2) 0.0433(12) Uani 1 1 d . . .
O4 O -0.4888(3) -0.1265(4) -0.6122(3) 0.0576(14) Uani 1 1 d . . .
O5 O -0.3040(3) -0.0894(4) -0.3788(3) 0.0527(14) Uani 1 1 d . . .
O6 O -0.4592(3) -0.4475(4) -0.5415(2) 0.0429(12) Uani 1 1 d . . .
O7 O -0.1231(3) -0.5188(4) -0.1036(2) 0.0541(14) Uani 1 1 d . . .
O8 O -0.2926(3) -0.2202(4) -0.2303(3) 0.0494(13) Uani 1 1 d . . .
O9 O -0.2627(4) -0.6177(4) -0.3340(3) 0.0573(14) Uani 1 1 d . . .
O10 O 0.0557(3) -0.1616(4) -0.3033(3) 0.0482(13) Uani 1 1 d . . .
O11 O -0.1375(3) -0.1207(4) -0.2367(3) 0.0578(15) Uani 1 1 d . . .
O12 O -0.0495(4) -0.5075(4) -0.3199(3) 0.0666(17) Uani 1 1 d . . .
C31 C -0.0454(4) -0.3388(7) -0.4499(4) 0.0473(19) Uani 1 1 d . . .
H31 H -0.0084 -0.3481 -0.4007 0.057 Uiso 1 1 calc . . .
C32 C -0.0903(5) -0.4203(6) -0.4982(4) 0.0479(19) Uani 1 1 d . . .
H32 H -0.0903 -0.4946 -0.4876 0.058 Uiso 1 1 calc . . .
C28 C -0.1353(4) -0.3749(7) -0.5646(4) 0.051(2) Uani 1 1 d . . .
H28 H -0.1706 -0.4126 -0.6074 0.062 Uiso 1 1 calc . . .
C29 C -0.1192(5) -0.2625(7) -0.5574(4) 0.0489(19) Uani 1 1 d . . .
H29 H -0.1419 -0.2110 -0.5943 0.059 Uiso 1 1 calc . . .
C30 C -0.0636(5) -0.2412(7) -0.4856(4) 0.050(2) Uani 1 1 d . . .
H30 H -0.0423 -0.1723 -0.4651 0.060 Uiso 1 1 calc . . .
C21 C -0.5408(5) -0.2590(7) -0.4119(5) 0.057(2) Uani 1 1 d . . .
H21 H -0.5135 -0.3022 -0.3708 0.068 Uiso 1 1 calc . . .
C22 C -0.5985(5) -0.2956(6) -0.4814(5) 0.055(2) Uani 1 1 d . . .
H22 H -0.6170 -0.3679 -0.4954 0.066 Uiso 1 1 calc . . .
C23 C -0.6229(4) -0.2064(8) -0.5249(4) 0.053(2) Uani 1 1 d . . .
H23 H -0.6606 -0.2080 -0.5744 0.064 Uiso 1 1 calc . . .
C24 C -0.5843(5) -0.1152(6) -0.4858(5) 0.059(2) Uani 1 1 d . . .
H24 H -0.5924 -0.0439 -0.5037 0.070 Uiso 1 1 calc . . .
C20 C -0.5315(5) -0.1446(7) -0.4155(5) 0.055(2) Uani 1 1 d . . .
H20 H -0.4961 -0.0978 -0.3773 0.066 Uiso 1 1 calc . . .
C15 C -0.4584(4) -0.5064(6) -0.2920(4) 0.0451(18) Uani 1 1 d . . .
H15 H -0.4992 -0.4895 -0.3397 0.054 Uiso 1 1 calc . . .
C16 C -0.4338(4) -0.4388(6) -0.2351(4) 0.0454(18) Uani 1 1 d . . .
H16 H -0.4542 -0.3671 -0.2372 0.054 Uiso 1 1 calc . . .
C12 C -0.3734(5) -0.4951(8) -0.1735(4) 0.052(2) Uani 1 1 d . . .
H12 H -0.3455 -0.4686 -0.1268 0.062 Uiso 1 1 calc . . .
C13 C -0.3626(5) -0.5972(7) -0.1949(5) 0.059(2) Uani 1 1 d . . .
H13 H -0.3265 -0.6533 -0.1646 0.071 Uiso 1 1 calc . . .
C14 C -0.4125(5) -0.6039(6) -0.2670(5) 0.058(2) Uani 1 1 d . . .
H14 H -0.4152 -0.6639 -0.2947 0.070 Uiso 1 1 calc . . .
C6 C 0.0614(6) -0.2590(8) -0.1036(4) 0.062(2) Uani 1 1 d . . .
H6 H 0.0430 -0.1972 -0.0889 0.074 Uiso 1 1 calc . . .
C7 C 0.0298(5) -0.3597(8) -0.1086(4) 0.054(2) Uani 1 1 d . . .
H7 H -0.0152 -0.3805 -0.0989 0.065 Uiso 1 1 calc . . .
C8 C 0.0731(6) -0.4269(6) -0.1299(4) 0.070(3) Uani 1 1 d . . .
H8 H 0.0640 -0.5025 -0.1367 0.084 Uiso 1 1 calc . . .
C4 C 0.1335(4) -0.3661(9) -0.1402(4) 0.062(3) Uani 1 1 d . . .
H4 H 0.1721 -0.3918 -0.1554 0.075 Uiso 1 1 calc . . .
C5 C 0.1246(5) -0.2597(7) -0.1232(4) 0.058(2) Uani 1 1 d . . .
H5 H 0.1564 -0.1989 -0.1249 0.069 Uiso 1 1 calc . . .
C27 C -0.3169(4) -0.3093(5) -0.5911(3) 0.0305(14) Uani 1 1 d . . .
C25 C -0.2304(4) -0.1559(6) -0.4892(3) 0.0347(15) Uani 1 1 d . . .
C26 C -0.2386(4) -0.4241(6) -0.4665(3) 0.0338(15) Uani 1 1 d . . .
C19 C -0.4791(4) -0.1634(5) -0.5614(3) 0.0346(15) Uani 1 1 d . . .
C18 C -0.3601(4) -0.1465(6) -0.4160(3) 0.0358(15) Uani 1 1 d . . .
C17 C -0.4550(4) -0.3669(5) -0.5135(3) 0.0307(14) Uani 1 1 d . . .
C11 C -0.1872(4) -0.4987(5) -0.1551(3) 0.0361(15) Uani 1 1 d . . .
C10 C -0.2925(4) -0.3131(6) -0.2368(3) 0.0372(16) Uani 1 1 d . . .
C9 C -0.2746(4) -0.5550(6) -0.3009(4) 0.0387(16) Uani 1 1 d . . .
C3 C 0.0289(4) -0.2178(6) -0.2767(3) 0.0389(16) Uani 1 1 d . . .
C1 C -0.0981(4) -0.1932(6) -0.2378(4) 0.0418(17) Uani 1 1 d . . .
C2 C -0.0409(5) -0.4303(6) -0.2882(4) 0.0475(19) Uani 1 1 d . . .
C34 C 0.1932(5) -0.2998(6) -0.3500(4) 0.051(2) Uani 1 1 d . . .
H34 H 0.1545 -0.2632 -0.3385 0.062 Uiso 1 1 calc . . .
C35 C 0.1852(5) -0.2837(6) -0.4159(4) 0.052(2) Uani 1 1 d . . .
H35 H 0.1414 -0.2355 -0.4485 0.063 Uiso 1 1 calc . . .
C36 C 0.2396(5) -0.3365(7) -0.4336(4) 0.0481(19) Uani 1 1 d . . .
H36 H 0.2337 -0.3263 -0.4783 0.058 Uiso 1 1 calc . . .
C37 C 0.3036(4) -0.4056(6) -0.3846(4) 0.0466(18) Uani 1 1 d . . .
H37 H 0.3419 -0.4427 -0.3962 0.056 Uiso 1 1 calc . . .
C38 C 0.3128(4) -0.4213(6) -0.3215(4) 0.050(2) Uani 1 1 d . . .
H38 H 0.3576 -0.4688 -0.2892 0.060 Uiso 1 1 calc . . .
C33 C 0.2573(5) -0.3688(6) -0.3019(4) 0.0503(19) Uani 1 1 d . . .
C39 C 0.2675(7) -0.3873(9) -0.2327(5) 0.090(3) Uani 1 1 d . . .
H39A H 0.2469 -0.3236 -0.2188 0.136 Uiso 1 1 calc . . .
H39B H 0.3300 -0.4004 -0.1983 0.136 Uiso 1 1 calc . . .
H39C H 0.2322 -0.4501 -0.2349 0.136 Uiso 1 1 calc . . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 '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
C2 Ag1 C1 83.9(2) . . ?
C2 Ag1 C26 89.8(2) . . ?
C1 Ag1 C26 153.8(2) . . ?
C2 Ag1 Cu1 134.52(17) . . ?
C1 Ag1 Cu1 121.07(16) . . ?
C26 Ag1 Cu1 50.29(13) . . ?
C2 Ag1 Mo1 43.31(17) . . ?
C1 Ag1 Mo1 43.16(16) . . ?
C26 Ag1 Mo1 132.55(15) . . ?
Cu1 Ag1 Mo1 155.99(3) . . ?
C2 Ag1 Mo4 111.00(18) . . ?
C1 Ag1 Mo4 161.20(16) . . ?
C26 Ag1 Mo4 42.15(15) . . ?
Cu1 Ag1 Mo4 56.61(3) . . ?
Mo1 Ag1 Mo4 145.26(3) . . ?
C2 Ag1 Ag2 59.77(18) . . ?
C1 Ag1 Ag2 57.73(15) . . ?
C26 Ag1 Ag2 97.26(15) . . ?
Cu1 Ag1 Ag2 99.68(3) . . ?
Mo1 Ag1 Ag2 57.349(18) . . ?
Mo4 Ag1 Ag2 139.38(2) . . ?
C9 Ag2 C10 82.3(2) . . ?
C9 Ag2 C1 163.6(2) . . ?
C10 Ag2 C1 89.7(2) . . ?
C9 Ag2 Mo1 147.47(16) . . ?
C10 Ag2 Mo1 130.06(16) . . ?
C1 Ag2 Mo1 43.57(16) . . ?
C9 Ag2 Mo2 43.43(16) . . ?
C10 Ag2 Mo2 43.36(16) . . ?
C1 Ag2 Mo2 132.49(16) . . ?
Mo1 Ag2 Mo2 160.07(3) . . ?
C9 Ag2 Ag1 114.40(15) . . ?
C10 Ag2 Ag1 114.41(16) . . ?
C1 Ag2 Ag1 56.35(16) . . ?
Mo1 Ag2 Ag1 59.88(2) . . ?
Mo2 Ag2 Ag1 138.48(3) . . ?
C9 Ag2 Ag3 58.87(15) . . ?
C10 Ag2 Ag3 56.12(14) . . ?
C1 Ag2 Ag3 104.84(15) . . ?
Mo1 Ag2 Ag3 137.16(3) . . ?
Mo2 Ag2 Ag3 59.665(17) . . ?
Ag1 Ag2 Ag3 78.83(2) . . ?
C10 Ag3 Cu1 129.60(16) . . ?
C10 Ag3 Mo3 119.96(16) . . ?
Cu1 Ag3 Mo3 55.580(19) . . ?
C10 Ag3 Mo2 42.49(16) . . ?
Cu1 Ag3 Mo2 154.13(2) . . ?
Mo3 Ag3 Mo2 148.61(2) . . ?
C10 Ag3 Ag2 55.22(14) . . ?
Cu1 Ag3 Ag2 97.22(2) . . ?
Mo3 Ag3 Ag2 142.98(3) . . ?
Mo2 Ag3 Ag2 57.42(2) . . ?
C3 Mo1 C2 92.2(3) . . ?
C3 Mo1 C1 88.3(3) . . ?
C2 Mo1 C1 119.2(3) . . ?
C3 Mo1 C5 88.1(3) . . ?
C2 Mo1 C5 132.5(3) . . ?
C1 Mo1 C5 108.3(3) . . ?
C3 Mo1 C4 96.7(3) . . ?
C2 Mo1 C4 97.7(3) . . ?
C1 Mo1 C4 142.7(3) . . ?
C5 Mo1 C4 35.5(3) . . ?
C3 Mo1 C8 131.5(3) . . ?
C2 Mo1 C8 88.6(3) . . ?
C1 Mo1 C8 132.3(4) . . ?
C5 Mo1 C8 57.9(3) . . ?
C4 Mo1 C8 35.4(3) . . ?
C3 Mo1 C6 114.3(3) . . ?
C2 Mo1 C6 144.6(3) . . ?
C1 Mo1 C6 86.1(3) . . ?
C5 Mo1 C6 34.7(3) . . ?
C4 Mo1 C6 58.1(3) . . ?
C8 Mo1 C6 56.5(3) . . ?
C3 Mo1 C7 145.3(3) . . ?
C2 Mo1 C7 113.1(3) . . ?
C1 Mo1 C7 98.5(3) . . ?
C5 Mo1 C7 57.4(3) . . ?
C4 Mo1 C7 58.2(3) . . ?
C8 Mo1 C7 34.0(3) . . ?
C6 Mo1 C7 33.6(3) . . ?
C3 Mo1 Ag2 130.82(19) . . ?
C2 Mo1 Ag2 68.0(2) . . ?
C1 Mo1 Ag2 66.62(19) . . ?
C5 Mo1 Ag2 138.8(2) . . ?
C4 Mo1 Ag2 129.2(3) . . ?
C8 Mo1 Ag2 94.1(2) . . ?
C6 Mo1 Ag2 105.7(3) . . ?
C7 Mo1 Ag2 82.24(18) . . ?
C3 Mo1 Ag1 68.28(19) . . ?
C2 Mo1 Ag1 60.40(19) . . ?
C1 Mo1 Ag1 63.7(2) . . ?
C5 Mo1 Ag1 154.7(2) . . ?
C4 Mo1 Ag1 151.4(2) . . ?
C8 Mo1 Ag1 145.94(19) . . ?
C6 Mo1 Ag1 149.8(2) . . ?
C7 Mo1 Ag1 144.56(17) . . ?
Ag2 Mo1 Ag1 62.77(2) . . ?
C11 Mo2 C10 95.1(3) . . ?
C11 Mo2 C9 92.5(3) . . ?
C10 Mo2 C9 117.3(3) . . ?
C11 Mo2 C13 88.1(3) . . ?
C10 Mo2 C13 136.3(3) . . ?
C9 Mo2 C13 106.0(3) . . ?
C11 Mo2 C12 91.1(3) . . ?
C10 Mo2 C12 101.1(3) . . ?
C9 Mo2 C12 140.9(3) . . ?
C13 Mo2 C12 35.2(3) . . ?
C11 Mo2 C14 117.1(3) . . ?
C10 Mo2 C14 140.4(3) . . ?
C9 Mo2 C14 85.5(3) . . ?
C13 Mo2 C14 34.7(3) . . ?
C12 Mo2 C14 58.6(3) . . ?
C11 Mo2 C16 124.3(3) . . ?
C10 Mo2 C16 85.4(3) . . ?
C9 Mo2 C16 136.1(3) . . ?
C13 Mo2 C16 58.1(3) . . ?
C12 Mo2 C16 35.4(3) . . ?
C14 Mo2 C16 58.1(3) . . ?
C11 Mo2 C15 145.2(3) . . ?
C10 Mo2 C15 105.9(3) . . ?
C9 Mo2 C15 101.7(3) . . ?
C13 Mo2 C15 57.6(3) . . ?
C12 Mo2 C15 58.2(2) . . ?
C14 Mo2 C15 34.9(3) . . ?
C16 Mo2 C15 34.4(2) . . ?
C11 Mo2 Ag2 67.77(19) . . ?
C10 Mo2 Ag2 63.23(19) . . ?
C9 Mo2 Ag2 62.93(19) . . ?
C13 Mo2 Ag2 151.96(19) . . ?
C12 Mo2 Ag2 151.02(19) . . ?
C14 Mo2 Ag2 148.4(2) . . ?
C16 Mo2 Ag2 148.05(19) . . ?
C15 Mo2 Ag2 146.68(19) . . ?
C11 Mo2 Ag3 130.68(19) . . ?
C10 Mo2 Ag3 62.59(19) . . ?
C9 Mo2 Ag3 65.9(2) . . ?
C13 Mo2 Ag3 139.1(2) . . ?
C12 Mo2 Ag3 134.0(2) . . ?
C14 Mo2 Ag3 105.3(2) . . ?
C16 Mo2 Ag3 98.62(19) . . ?
C15 Mo2 Ag3 83.96(19) . . ?
Ag2 Mo2 Ag3 62.91(3) . . ?
C19 Mo3 C17 85.3(3) . . ?
C19 Mo3 C18 90.6(3) . . ?
C17 Mo3 C18 114.4(2) . . ?
C19 Mo3 C23 90.8(3) . . ?
C17 Mo3 C23 106.4(3) . . ?
C18 Mo3 C23 139.1(3) . . ?
C19 Mo3 C22 120.4(3) . . ?
C17 Mo3 C22 90.1(2) . . ?
C18 Mo3 C22 142.7(3) . . ?
C23 Mo3 C22 34.7(3) . . ?
C19 Mo3 C20 123.0(3) . . ?
C17 Mo3 C20 145.0(3) . . ?
C18 Mo3 C20 87.7(3) . . ?
C23 Mo3 C20 58.1(3) . . ?
C22 Mo3 C20 59.0(3) . . ?
C19 Mo3 C24 92.2(3) . . ?
C17 Mo3 C24 140.8(3) . . ?
C18 Mo3 C24 104.7(3) . . ?
C23 Mo3 C24 34.4(3) . . ?
C22 Mo3 C24 57.8(3) . . ?
C20 Mo3 C24 34.8(3) . . ?
C19 Mo3 C21 147.9(3) . . ?
C17 Mo3 C21 109.4(3) . . ?
C18 Mo3 C21 107.6(3) . . ?
C23 Mo3 C21 58.1(3) . . ?
C22 Mo3 C21 35.4(3) . . ?
C20 Mo3 C21 35.7(3) . . ?
C24 Mo3 C21 58.2(3) . . ?
C19 Mo3 Cu1 75.04(19) . . ?
C17 Mo3 Cu1 58.72(17) . . ?
C18 Mo3 Cu1 57.13(19) . . ?
C23 Mo3 Cu1 159.7(2) . . ?
C22 Mo3 Cu1 145.35(18) . . ?
C20 Mo3 Cu1 142.1(2) . . ?
C24 Mo3 Cu1 156.8(2) . . ?
C21 Mo3 Cu1 137.01(18) . . ?
C19 Mo3 Ag3 136.26(19) . . ?
C17 Mo3 Ag3 67.71(17) . . ?
C18 Mo3 Ag3 71.95(19) . . ?
C23 Mo3 Ag3 128.7(2) . . ?
C22 Mo3 Ag3 94.4(2) . . ?
C20 Mo3 Ag3 96.7(2) . . ?
C24 Mo3 Ag3 130.6(2) . . ?
C21 Mo3 Ag3 75.49(18) . . ?
Cu1 Mo3 Ag3 61.68(2) . . ?
C27 Mo4 C25 87.4(2) . . ?
C27 Mo4 C26 88.4(2) . . ?
C25 Mo4 C26 115.6(3) . . ?
C27 Mo4 C29 96.7(3) . . ?
C25 Mo4 C29 99.8(3) . . ?
C26 Mo4 C29 144.5(3) . . ?
C27 Mo4 C28 90.0(3) . . ?
C25 Mo4 C28 134.7(3) . . ?
C26 Mo4 C28 109.5(3) . . ?
C29 Mo4 C28 35.8(3) . . ?
C27 Mo4 C30 130.6(3) . . ?
C25 Mo4 C30 90.2(3) . . ?
C26 Mo4 C30 135.5(3) . . ?
C29 Mo4 C30 35.4(3) . . ?
C28 Mo4 C30 58.7(3) . . ?
C27 Mo4 C32 117.0(3) . . ?
C25 Mo4 C32 147.5(3) . . ?
C26 Mo4 C32 87.9(2) . . ?
C29 Mo4 C32 58.5(3) . . ?
C28 Mo4 C32 34.7(3) . . ?
C30 Mo4 C32 57.9(3) . . ?
C27 Mo4 C31 147.6(3) . . ?
C25 Mo4 C31 114.8(3) . . ?
C26 Mo4 C31 101.4(3) . . ?
C29 Mo4 C31 58.0(3) . . ?
C28 Mo4 C31 57.6(2) . . ?
C30 Mo4 C31 34.5(3) . . ?
C32 Mo4 C31 34.4(3) . . ?
C27 Mo4 Cu1 72.59(18) . . ?
C25 Mo4 Cu1 59.74(18) . . ?
C26 Mo4 Cu1 57.82(18) . . ?
C29 Mo4 Cu1 156.5(2) . . ?
C28 Mo4 Cu1 157.90(18) . . ?
C30 Mo4 Cu1 143.4(2) . . ?
C32 Mo4 Cu1 144.94(18) . . ?
C31 Mo4 Cu1 138.37(18) . . ?
C27 Mo4 Ag1 132.34(18) . . ?
C25 Mo4 Ag1 71.31(18) . . ?
C26 Mo4 Ag1 65.52(18) . . ?
C29 Mo4 Ag1 128.0(2) . . ?
C28 Mo4 Ag1 135.2(2) . . ?
C30 Mo4 Ag1 92.7(2) . . ?
C32 Mo4 Ag1 101.8(2) . . ?
C31 Mo4 Ag1 79.02(18) . . ?
Cu1 Mo4 Ag1 59.80(3) . . ?
C18 Cu1 C26 153.6(2) . . ?
C18 Cu1 C17 92.9(2) . . ?
C26 Cu1 C17 96.0(2) . . ?
C18 Cu1 C25 93.6(2) . . ?
C26 Cu1 C25 92.1(2) . . ?
C17 Cu1 C25 147.3(2) . . ?
C18 Cu1 Mo3 47.12(16) . . ?
C26 Cu1 Mo3 140.68(17) . . ?
C17 Cu1 Mo3 46.76(16) . . ?
C25 Cu1 Mo3 125.62(18) . . ?
C18 Cu1 Mo4 138.28(17) . . ?
C26 Cu1 Mo4 46.94(17) . . ?
C17 Cu1 Mo4 126.63(16) . . ?
C25 Cu1 Mo4 46.48(18) . . ?
Mo3 Cu1 Mo4 160.09(4) . . ?
C18 Cu1 Ag1 94.15(16) . . ?
C26 Cu1 Ag1 64.24(15) . . ?
C17 Cu1 Ag1 142.63(15) . . ?
C25 Cu1 Ag1 68.63(15) . . ?
Mo3 Cu1 Ag1 134.75(3) . . ?
Mo4 Cu1 Ag1 63.59(2) . . ?
C18 Cu1 Ag3 69.03(17) . . ?
C26 Cu1 Ag3 92.65(17) . . ?
C17 Cu1 Ag3 64.65(15) . . ?
C25 Cu1 Ag3 146.62(15) . . ?
Mo3 Cu1 Ag3 62.74(3) . . ?
Mo4 Cu1 Ag3 135.47(3) . . ?
Ag1 Cu1 Ag3 83.94(3) . . ?
C32 C31 C30 108.5(7) . . ?
C32 C31 Mo4 71.7(4) . . ?
C30 C31 Mo4 71.3(4) . . ?
C32 C31 H31 125.7 . . ?
C30 C31 H31 125.7 . . ?
Mo4 C31 H31 123.0 . . ?
C28 C32 C31 108.4(7) . . ?
C28 C32 Mo4 71.4(4) . . ?
C31 C32 Mo4 74.0(4) . . ?
C28 C32 H32 125.8 . . ?
C31 C32 H32 125.8 . . ?
Mo4 C32 H32 120.6 . . ?
C32 C28 C29 107.9(7) . . ?
C32 C28 Mo4 73.9(4) . . ?
C29 C28 Mo4 71.8(4) . . ?
C32 C28 H28 126.1 . . ?
C29 C28 H28 126.1 . . ?
Mo4 C28 H28 120.1 . . ?
C30 C29 C28 107.3(7) . . ?
C30 C29 Mo4 73.5(4) . . ?
C28 C29 Mo4 72.4(4) . . ?
C30 C29 H29 126.4 . . ?
C28 C29 H29 126.4 . . ?
Mo4 C29 H29 119.6 . . ?
C31 C30 C29 107.9(7) . . ?
C31 C30 Mo4 74.3(4) . . ?
C29 C30 Mo4 71.1(4) . . ?
C31 C30 H30 126.1 . . ?
C29 C30 H30 126.1 . . ?
Mo4 C30 H30 120.4 . . ?
C22 C21 C20 107.2(7) . . ?
C22 C21 Mo3 72.0(4) . . ?
C20 C21 Mo3 71.9(4) . . ?
C22 C21 H21 126.4 . . ?
C20 C21 H21 126.4 . . ?
Mo3 C21 H21 121.4 . . ?
C23 C22 C21 107.3(7) . . ?
C23 C22 Mo3 71.8(4) . . ?
C21 C22 Mo3 72.6(4) . . ?
C23 C22 H22 126.4 . . ?
C21 C22 H22 126.4 . . ?
Mo3 C22 H22 121.0 . . ?
C24 C23 C22 109.9(7) . . ?
C24 C23 Mo3 73.9(4) . . ?
C22 C23 Mo3 73.5(4) . . ?
C24 C23 H23 125.1 . . ?
C22 C23 H23 125.1 . . ?
Mo3 C23 H23 119.3 . . ?
C23 C24 C20 108.8(7) . . ?
C23 C24 Mo3 71.7(4) . . ?
C20 C24 Mo3 72.5(4) . . ?
C23 C24 H24 125.6 . . ?
C20 C24 H24 125.6 . . ?
Mo3 C24 H24 121.8 . . ?
C24 C20 C21 106.8(7) . . ?
C24 C20 Mo3 72.7(4) . . ?
C21 C20 Mo3 72.3(4) . . ?
C24 C20 H20 126.6 . . ?
C21 C20 H20 126.6 . . ?
Mo3 C20 H20 120.3 . . ?
C16 C15 C14 108.1(7) . . ?
C16 C15 Mo2 72.0(4) . . ?
C14 C15 Mo2 71.1(4) . . ?
C16 C15 H15 126.0 . . ?
C14 C15 H15 126.0 . . ?
Mo2 C15 H15 122.7 . . ?
C15 C16 C12 108.2(7) . . ?
C15 C16 Mo2 73.6(4) . . ?
C12 C16 Mo2 71.5(4) . . ?
C15 C16 H16 125.9 . . ?
C12 C16 H16 125.9 . . ?
Mo2 C16 H16 120.8 . . ?
C13 C12 C16 106.5(7) . . ?
C13 C12 Mo2 72.2(4) . . ?
C16 C12 Mo2 73.1(4) . . ?
C13 C12 H12 126.7 . . ?
C16 C12 H12 126.7 . . ?
Mo2 C12 H12 119.9 . . ?
C14 C13 C12 109.3(7) . . ?
C14 C13 Mo2 73.0(4) . . ?
C12 C13 Mo2 72.5(4) . . ?
C14 C13 H13 125.3 . . ?
C12 C13 H13 125.3 . . ?
Mo2 C13 H13 120.8 . . ?
C13 C14 C15 107.8(7) . . ?
C13 C14 Mo2 72.3(4) . . ?
C15 C14 Mo2 74.0(4) . . ?
C13 C14 H14 126.1 . . ?
C15 C14 H14 126.1 . . ?
Mo2 C14 H14 119.4 . . ?
C7 C6 C5 109.2(8) . . ?
C7 C6 Mo1 73.6(5) . . ?
C5 C6 Mo1 71.4(4) . . ?
C7 C6 H6 125.4 . . ?
C5 C6 H6 125.4 . . ?
Mo1 C6 H6 121.3 . . ?
C6 C7 C8 108.5(7) . . ?
C6 C7 Mo1 72.8(5) . . ?
C8 C7 Mo1 72.5(5) . . ?
C6 C7 H7 125.8 . . ?
C8 C7 H7 125.8 . . ?
Mo1 C7 H7 120.7 . . ?
C7 C8 C4 109.0(8) . . ?
C7 C8 Mo1 73.5(4) . . ?
C4 C8 Mo1 71.6(4) . . ?
C7 C8 H8 125.5 . . ?
C4 C8 H8 125.5 . . ?
Mo1 C8 H8 121.1 . . ?
C5 C4 C8 105.3(7) . . ?
C5 C4 Mo1 71.9(4) . . ?
C8 C4 Mo1 73.0(4) . . ?
C5 C4 H4 127.3 . . ?
C8 C4 H4 127.3 . . ?
Mo1 C4 H4 119.9 . . ?
C6 C5 C4 107.9(7) . . ?
C6 C5 Mo1 73.9(4) . . ?
C4 C5 Mo1 72.6(4) . . ?
C6 C5 H5 126.1 . . ?
C4 C5 H5 126.1 . . ?
Mo1 C5 H5 119.3 . . ?
O1 C27 Mo4 176.3(5) . . ?
O2 C25 Mo4 168.8(6) . . ?
O2 C25 Cu1 116.2(5) . . ?
Mo4 C25 Cu1 73.8(2) . . ?
O3 C26 Mo4 168.6(5) . . ?
O3 C26 Cu1 115.8(5) . . ?
Mo4 C26 Cu1 75.2(2) . . ?
O3 C26 Ag1 114.1(5) . . ?
Mo4 C26 Ag1 72.3(2) . . ?
Cu1 C26 Ag1 65.48(16) . . ?
O4 C19 Mo3 175.9(6) . . ?
O5 C18 Mo3 169.2(6) . . ?
O5 C18 Cu1 115.0(5) . . ?
Mo3 C18 Cu1 75.7(2) . . ?
O6 C17 Mo3 169.5(5) . . ?
O6 C17 Cu1 114.8(5) . . ?
Mo3 C17 Cu1 74.5(2) . . ?
O7 C11 Mo2 173.1(6) . . ?
O8 C10 Mo2 169.2(6) . . ?
O8 C10 Ag2 116.7(5) . . ?
Mo2 C10 Ag2 73.4(2) . . ?
O8 C10 Ag3 111.6(5) . . ?
Mo2 C10 Ag3 74.9(2) . . ?
Ag2 C10 Ag3 68.66(17) . . ?
O9 C9 Mo2 168.3(6) . . ?
O9 C9 Ag2 116.8(5) . . ?
Mo2 C9 Ag2 73.6(2) . . ?
O10 C3 Mo1 173.6(6) . . ?
O11 C1 Mo1 167.7(6) . . ?
O11 C1 Ag1 117.7(5) . . ?
Mo1 C1 Ag1 73.1(2) . . ?
O11 C1 Ag2 119.0(5) . . ?
Mo1 C1 Ag2 69.8(2) . . ?
Ag1 C1 Ag2 65.92(16) . . ?
O12 C2 Mo1 170.5(6) . . ?
O12 C2 Ag1 112.9(5) . . ?
Mo1 C2 Ag1 76.3(2) . . ?
C33 C34 C35 120.0(7) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.8(7) . . ?
C36 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C35 C36 C37 118.3(7) . . ?
C35 C36 H36 120.8 . . ?
C37 C36 H36 120.8 . . ?
C38 C37 C36 121.8(7) . . ?
C38 C37 H37 119.1 . . ?
C36 C37 H37 119.1 . . ?
C37 C38 C33 121.2(7) . . ?
C37 C38 H38 119.4 . . ?
C33 C38 H38 119.4 . . ?
C34 C33 C38 117.9(7) . . ?
C34 C33 C39 121.4(8) . . ?
C38 C33 C39 120.8(8) . . ?
C33 C39 H39A 109.5 . . ?
C33 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C33 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C2 2.533(7) . ?
Ag1 C1 2.652(7) . ?
Ag1 C26 2.706(6) . ?
Ag1 Cu1 2.7339(11) . ?
Ag1 Mo1 2.8302(11) . ?
Ag1 Mo4 2.8333(8) . ?
Ag1 Ag2 2.9093(8) . ?
Ag2 C9 2.578(7) . ?
Ag2 C10 2.588(7) . ?
Ag2 C1 2.694(7) . ?
Ag2 Mo1 2.7548(7) . ?
Ag2 Mo2 2.7781(7) . ?
Ag2 Ag3 2.9351(11) . ?
Ag3 C10 2.616(7) . ?
Ag3 Cu1 2.8143(9) . ?
Ag3 Mo3 2.8419(9) . ?
Ag3 Mo2 2.8454(7) . ?
Mo1 C3 1.968(7) . ?
Mo1 C2 1.998(8) . ?
Mo1 C1 2.023(8) . ?
Mo1 C5 2.294(7) . ?
Mo1 C4 2.304(6) . ?
Mo1 C8 2.322(7) . ?
Mo1 C6 2.326(8) . ?
Mo1 C7 2.335(7) . ?
Mo2 C11 1.981(6) . ?
Mo2 C10 1.990(7) . ?
Mo2 C9 1.991(7) . ?
Mo2 C13 2.308(7) . ?
Mo2 C12 2.312(7) . ?
Mo2 C14 2.316(7) . ?
Mo2 C16 2.334(6) . ?
Mo2 C15 2.354(6) . ?
Mo3 C19 1.970(7) . ?
Mo3 C17 1.993(7) . ?
Mo3 C18 1.994(6) . ?
Mo3 C23 2.310(7) . ?
Mo3 C22 2.331(7) . ?
Mo3 C20 2.334(7) . ?
Mo3 C24 2.337(7) . ?
Mo3 C21 2.339(7) . ?
Mo3 Cu1 2.6372(8) . ?
Mo4 C27 1.978(6) . ?
Mo4 C25 1.994(8) . ?
Mo4 C26 1.996(7) . ?
Mo4 C29 2.296(7) . ?
Mo4 C28 2.305(7) . ?
Mo4 C30 2.327(7) . ?
Mo4 C32 2.337(7) . ?
Mo4 C31 2.366(6) . ?
Mo4 Cu1 2.6412(9) . ?
Cu1 C18 2.285(7) . ?
Cu1 C26 2.312(6) . ?
Cu1 C17 2.339(6) . ?
Cu1 C25 2.376(6) . ?
O1 C27 1.150(7) . ?
O2 C25 1.158(8) . ?
O3 C26 1.160(8) . ?
O4 C19 1.145(7) . ?
O5 C18 1.150(7) . ?
O6 C17 1.159(7) . ?
O7 C11 1.149(7) . ?
O8 C10 1.160(8) . ?
O9 C9 1.158(8) . ?
O10 C3 1.157(8) . ?
O11 C1 1.140(8) . ?
O12 C2 1.150(8) . ?
C31 C32 1.390(10) . ?
C31 C30 1.391(11) . ?
C31 H31 0.9500 . ?
C32 C28 1.386(11) . ?
C32 H32 0.9500 . ?
C28 C29 1.414(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.405(11) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C21 C22 1.419(12) . ?
C21 C20 1.434(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.374(11) . ?
C23 H23 0.9500 . ?
C24 C20 1.396(11) . ?
C24 H24 0.9500 . ?
C20 H20 0.9500 . ?
C15 C16 1.388(10) . ?
C15 C14 1.400(10) . ?
C15 H15 0.9500 . ?
C16 C12 1.414(10) . ?
C16 H16 0.9500 . ?
C12 C13 1.398(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.378(12) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C6 C7 1.348(12) . ?
C6 C5 1.380(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.362(12) . ?
C7 H7 0.9500 . ?
C8 C4 1.408(12) . ?
C8 H8 0.9500 . ?
C4 C5 1.402(12) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C34 C33 1.382(11) . ?
C34 C35 1.409(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.367(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.391(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.338(10) . ?
C37 H37 0.9500 . ?
C38 C33 1.408(10) . ?
C38 H38 0.9500 . ?
C33 C39 1.469(11) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
