#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:08:23 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179653 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/06/4510636.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_4510636
loop_
_publ_author_name
'Kulikov, Vladislav'
'Meyer, Gerd'
_publ_section_title
;
 A New Strategy for the Synthetic Assembly of Inorganic--Organic
 Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent
 Interactions between Theobromine Ligands
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2916
_journal_paper_doi               10.1021/cg400335y
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C28 H32 Ag2 N16 O8, Mo8  O26, O7 H15'
_chemical_formula_sum            'C28 H47 Ag3 Mo8 N16 O41'
_chemical_formula_weight         2345.83
_chemical_melting_point          ?
_chemical_name_common
;
 Bis(ditheobrominesilver)hydroniumsilveroctamolybdate hexahydrate
;
_chemical_name_systematic
;
Bis(ditheobrominesilver)hydronium(silverdi-mu4-oxo-tetra-mu3-
oxo-hexa-mu-oxo-tetradecaoxooctamolybdate) hexahydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 122.236(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.7118(6)
_cell_length_b                   17.8399(4)
_cell_length_c                   18.8061(5)
_cell_measurement_reflns_used    'not measured'
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      'not measured'
_cell_measurement_theta_min      'not measured'
_cell_volume                     6161.5(3)
_computing_cell_refinement       'X-Area, (Stoe, 2001)'
_computing_data_collection       'X-Area, (Stoe, 2001)'
_computing_data_reduction        'X-Area, (Stoe, 2001)'
_computing_molecular_graphics    'Diamond v3.2 (Crystal Impact 2011)'
_computing_publication_material  'Diamond v3.2 (Crystal Impact 2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'IPDS II (Stoe & Cie)'
_diffrn_measurement_method       'ω and φ 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  0.0746
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            46531
_diffrn_reflns_theta_full        26.80
_diffrn_reflns_theta_max         26.80
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         'not measured'
_exptl_absorpt_coefficient_mu    2.611
_exptl_absorpt_correction_T_max  0.6538
_exptl_absorpt_correction_T_min  0.2458
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
The absorption correction (X-RED; Stoe & Cie, 2001) 
was performed after optimizing the crystal shape 
using X-SHAPE (Stoe & Cie, 1999).
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.529
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4026
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.238
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       0.00017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         6545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0694P)²+42.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                5521
_reflns_number_total             6545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400335y_si_001.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4510636
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Mo1 Mo 0.92429(2) 0.02353(2) 0.26176(2) 0.02261(12) Uani 1 1 d . . .
Mo2 Mo 1.04600(2) -0.10480(2) 0.35543(2) 0.02398(12) Uani 1 1 d . . .
Mo3 Mo 1.17087(2) 0.02204(2) 0.45443(3) 0.02978(13) Uani 1 1 d . . .
Ag1 Ag 0.76902(3) 0.01266(3) 0.30405(3) 0.04571(15) Uani 1 1 d . . .
Mo4 Mo 1.04580(2) 0.15019(2) 0.35814(3) 0.02943(13) Uani 1 1 d . . .
Ag2 Ag 1.0000 0.0000 0.5000 0.0704(3) Uani 1 2 d S . .
O6 O 1.0224(2) -0.0935(2) 0.4283(2) 0.0322(8) Uani 1 1 d . . .
O12 O 1.1509(3) 0.0179(2) 0.5310(3) 0.0417(9) Uani 1 1 d . . .
O2 O 0.9128(2) 0.0231(2) 0.3441(2) 0.0328(8) Uani 1 1 d . . .
O10 O 1.0261(2) 0.1398(2) 0.4339(2) 0.0421(9) Uani 1 1 d . . .
O8 O 1.04256(17) 0.02312(17) 0.3362(2) 0.0233(6) Uani 1 1 d . . .
O4 O 0.94526(17) -0.08185(18) 0.25736(19) 0.0238(6) Uani 1 1 d . . .
O2T O 0.9359(3) 0.2996(3) 0.4185(3) 0.0619(13) Uani 1 1 d . . .
O11 O 1.14638(19) 0.1239(2) 0.4206(2) 0.0333(8) Uani 1 1 d . . .
O1 O 0.83706(19) 0.02289(19) 0.1721(2) 0.0297(7) Uani 1 1 d . . .
C5 C 0.7841(3) 0.2250(3) 0.1900(3) 0.0393(12) Uani 1 1 d . . .
O9 O 1.0493(2) 0.2437(2) 0.3465(3) 0.0477(10) Uani 1 1 d . . .
O7 O 1.14572(18) -0.0805(2) 0.4175(2) 0.0292(7) Uani 1 1 d . . .
N1 N 0.8734(3) 0.3103(3) 0.2766(4) 0.0524(13) Uani 1 1 d . . .
H1 H 0.8986 0.3498 0.2830 0.063 Uiso 1 1 calc R . .
C2 C 0.8901(4) 0.2745(4) 0.3495(4) 0.0489(15) Uani 1 1 d . . .
O16T O 0.8798(2) -0.3124(2) 0.2170(2) 0.0368(8) Uani 1 1 d . . .
N13 N 0.7395(2) -0.1352(2) 0.1392(3) 0.0303(9) Uani 1 1 d . . .
O5 O 1.0470(2) -0.1990(2) 0.3422(2) 0.0345(8) Uani 1 1 d . . .
C7 C 0.6933(4) 0.2032(5) 0.0346(4) 0.0567(17) Uani 1 1 d . . .
H7A H 0.7139 0.2481 0.0276 0.085 Uiso 1 1 calc R . .
H7B H 0.6421 0.2104 0.0107 0.085 Uiso 1 1 calc R . .
H7C H 0.7006 0.1623 0.0066 0.085 Uiso 1 1 calc R . .
O13 O 1.2625(2) 0.0213(2) 0.5058(3) 0.0447(10) Uani 1 1 d . . .
N7 N 0.7288(3) 0.1861(3) 0.1243(3) 0.0411(11) Uani 1 1 d . . .
N3 N 0.8503(3) 0.2112(3) 0.3405(3) 0.0410(11) Uani 1 1 d . . .
O12T O 0.6996(2) -0.1735(2) 0.0061(2) 0.0414(9) Uani 1 1 d . . .
N19 N 0.7961(2) -0.1057(2) 0.2885(3) 0.0307(9) Uani 1 1 d . . .
O3 O 0.94576(18) 0.12839(19) 0.2592(2) 0.0277(7) Uani 1 1 d . . .
C15 C 0.8359(3) -0.2064(3) 0.2526(3) 0.0285(9) Uani 1 1 d . . .
N11 N 0.7910(2) -0.2395(2) 0.1148(3) 0.0329(9) Uani 1 1 d . . .
H11 H 0.7916 -0.2681 0.0784 0.040 Uiso 1 1 calc R . .
N17 N 0.8747(2) -0.2008(2) 0.3392(3) 0.0306(9) Uani 1 1 d . . .
C12 C 0.7410(3) -0.1816(3) 0.0821(3) 0.0328(10) Uani 1 1 d . . .
N9 N 0.7561(3) 0.1258(3) 0.2416(3) 0.0407(11) Uani 1 1 d . . .
C14 C 0.7884(3) -0.1471(3) 0.2239(3) 0.0281(10) Uani 1 1 d . . .
C8 C 0.7142(4) 0.1286(3) 0.1573(4) 0.0446(13) Uani 1 1 d . . .
H8 H 0.6782 0.0934 0.1252 0.054 Uiso 1 1 calc R . .
O6T O 0.8110(3) 0.3317(3) 0.1355(3) 0.0648(14) Uani 1 1 d . . .
C4 C 0.7996(3) 0.1869(3) 0.2614(3) 0.0364(12) Uani 1 1 d . . .
C17 C 0.9335(3) -0.2499(3) 0.4002(3) 0.0353(11) Uani 1 1 d . . .
H17A H 0.9412 -0.2892 0.3709 0.053 Uiso 1 1 calc R . .
H17B H 0.9202 -0.2715 0.4370 0.053 Uiso 1 1 calc R . .
H17C H 0.9774 -0.2213 0.4326 0.053 Uiso 1 1 calc R . .
C13 C 0.6872(3) -0.0739(3) 0.1082(4) 0.0394(12) Uani 1 1 d . . .
H13A H 0.6925 -0.0462 0.1549 0.059 Uiso 1 1 calc R . .
H13B H 0.6387 -0.0939 0.0754 0.059 Uiso 1 1 calc R . .
H13C H 0.6958 -0.0413 0.0738 0.059 Uiso 1 1 calc R . .
C6 C 0.8211(4) 0.2913(4) 0.1933(4) 0.0472(14) Uani 1 1 d . . .
C18 C 0.8494(3) -0.1407(3) 0.3568(3) 0.0333(11) Uani 1 1 d . . .
H18 H 0.8670 -0.1245 0.4114 0.040 Uiso 1 1 calc R . .
O4W O 0.6670(5) 0.0361(5) 0.3201(8) 0.144(4) Uani 1 1 d . . .
C16 C 0.8400(3) -0.2576(3) 0.1979(3) 0.0299(10) Uani 1 1 d . . .
C3 C 0.8648(4) 0.1703(4) 0.4151(4) 0.0489(15) Uani 1 1 d . . .
H3A H 0.9019 0.1958 0.4646 0.073 Uiso 1 1 calc R . .
H3B H 0.8808 0.1205 0.4138 0.073 Uiso 1 1 calc R . .
H3C H 0.8210 0.1678 0.4160 0.073 Uiso 1 1 calc R . .
O3WA O 0.0678(13) 0.5374(12) 0.6870(15) 0.097(10) Uani 0.300(16) 1 d P A 1
O3WB O 0.0323(7) 0.4232(7) 0.5077(12) 0.196(11) Uani 0.700(16) 1 d P A 2
O1W O 1.0000 -0.31632(19) 0.2500 0.0095(7) Uani 1 2 d S . .
O2W O 1.0491(4) -0.3860(4) 0.3761(4) 0.0879(19) Uani 1 1 d . . .
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'
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'
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
O2 Mo1 O1 105.74(18) . .
O2 Mo1 O3 100.52(16) . .
O1 Mo1 O3 97.72(15) . .
O2 Mo1 O4 100.71(15) . .
O1 Mo1 O4 96.36(15) . .
O3 Mo1 O4 150.21(14) . .
O2 Mo1 O8 96.34(16) . .
O1 Mo1 O8 157.91(15) . .
O3 Mo1 O8 78.56(13) . .
O4 Mo1 O8 78.54(12) . .
O2 Mo1 O8 171.85(15) . 2_755
O1 Mo1 O8 82.39(14) . 2_755
O3 Mo1 O8 78.53(12) . 2_755
O4 Mo1 O8 77.49(12) . 2_755
O8 Mo1 O8 75.52(13) . 2_755
O2 Mo1 Mo4 87.98(13) . .
O1 Mo1 Mo4 134.11(11) . .
O3 Mo1 Mo4 36.38(10) . .
O4 Mo1 Mo4 124.40(9) . .
O8 Mo1 Mo4 45.86(8) . .
O8 Mo1 Mo4 86.59(8) 2_755 .
O2 Mo1 Mo2 88.54(12) . .
O1 Mo1 Mo2 132.65(11) . .
O3 Mo1 Mo2 124.26(10) . .
O4 Mo1 Mo2 36.29(9) . .
O8 Mo1 Mo2 45.71(8) . .
O8 Mo1 Mo2 85.41(8) 2_755 .
Mo4 Mo1 Mo2 90.234(15) . .
O5 Mo2 O6 105.41(18) . .
O5 Mo2 O7 102.61(17) . .
O6 Mo2 O7 102.29(16) . .
O5 Mo2 O4 99.15(16) . .
O6 Mo2 O4 93.80(15) . .
O7 Mo2 O4 148.24(14) . .
O5 Mo2 O4 91.59(15) . 2_755
O6 Mo2 O4 159.81(15) . 2_755
O7 Mo2 O4 84.05(13) . 2_755
O4 Mo2 O4 72.43(14) . 2_755
O5 Mo2 O8 163.17(15) . .
O6 Mo2 O8 90.59(15) . .
O7 Mo2 O8 78.46(14) . .
O4 Mo2 O8 74.13(13) . .
O4 Mo2 O8 71.73(12) 2_755 .
O5 Mo2 Mo1 133.89(13) . .
O6 Mo2 Mo1 81.09(12) . .
O7 Mo2 Mo1 120.86(11) . .
O4 Mo2 Mo1 34.92(9) . .
O4 Mo2 Mo1 79.25(8) 2_755 .
O8 Mo2 Mo1 42.41(8) . .
O13 Mo3 O12 105.5(2) . .
O13 Mo3 O11 103.43(19) . .
O12 Mo3 O11 99.87(18) . .
O13 Mo3 O7 102.73(18) . .
O12 Mo3 O7 96.41(17) . .
O11 Mo3 O7 144.04(15) . .
O13 Mo3 O1 90.43(18) . 2_755
O12 Mo3 O1 163.87(18) . 2_755
O11 Mo3 O1 78.10(14) . 2_755
O7 Mo3 O1 77.46(13) . 2_755
O13 Mo3 O8 159.42(18) . .
O12 Mo3 O8 95.02(17) . .
O11 Mo3 O8 73.26(13) . .
O7 Mo3 O8 73.54(12) . .
O1 Mo3 O8 68.99(12) 2_755 .
N19 Ag1 N9 137.17(16) . .
N19 Ag1 O4W 119.8(3) . .
N9 Ag1 O4W 92.4(2) . .
O9 Mo4 O10 105.4(2) . .
O9 Mo4 O11 101.92(19) . .
O10 Mo4 O11 100.03(18) . .
O9 Mo4 O3 99.94(18) . .
O10 Mo4 O3 97.16(17) . .
O11 Mo4 O3 147.37(15) . .
O9 Mo4 O8 161.74(18) . .
O10 Mo4 O8 92.62(17) . .
O11 Mo4 O8 77.48(14) . .
O3 Mo4 O8 74.21(13) . .
O9 Mo4 O3 90.55(18) . 2_755
O10 Mo4 O3 162.09(17) . 2_755
O11 Mo4 O3 84.25(14) . 2_755
O3 Mo4 O3 71.57(14) . 2_755
O8 Mo4 O3 71.20(12) . 2_755
O9 Mo4 Mo1 134.75(15) . .
O10 Mo4 Mo1 84.17(14) . .
O11 Mo4 Mo1 120.17(11) . .
O3 Mo4 Mo1 34.92(10) . .
O8 Mo4 Mo1 42.71(8) . .
O3 Mo4 Mo1 78.72(8) 2_755 .
O6 Ag2 O6 180.000(1) 5_756 .
O6 Ag2 O2 72.97(12) 5_756 5_756
O6 Ag2 O2 107.03(12) . 5_756
O6 Ag2 O2 107.03(12) 5_756 .
O6 Ag2 O2 72.97(12) . .
O2 Ag2 O2 180.000(1) 5_756 .
Mo2 O6 Ag2 141.6(2) . .
Mo1 O2 Ag2 132.41(19) . .
Mo1 O8 Mo4 91.43(11) . .
Mo1 O8 Mo2 91.88(12) . .
Mo4 O8 Mo2 162.35(16) . .
Mo1 O8 Mo1 104.48(13) . 2_755
Mo4 O8 Mo1 98.46(12) . 2_755
Mo2 O8 Mo1 97.48(12) . 2_755
Mo1 O8 Mo3 163.45(16) . .
Mo4 O8 Mo3 86.23(11) . .
Mo2 O8 Mo3 85.67(10) . .
Mo1 O8 Mo3 92.07(11) 2_755 .
Mo1 O4 Mo2 108.79(15) . .
Mo1 O4 Mo2 110.65(14) . 2_755
Mo2 O4 Mo2 103.20(13) . 2_755
Mo3 O11 Mo4 117.68(18) . .
Mo1 O1 Mo3 116.55(17) . 2_755
N7 C5 C4 105.8(5) . .
N7 C5 C6 132.0(5) . .
C4 C5 C6 122.2(6) . .
Mo2 O7 Mo3 116.91(17) . .
C2 N1 C6 129.0(6) . .
C2 N1 H1 115.5 . .
C6 N1 H1 115.5 . .
O2T C2 N1 121.4(7) . .
O2T C2 N3 122.2(6) . .
N1 C2 N3 116.3(6) . .
C12 N13 C14 119.2(4) . .
C12 N13 C13 118.7(4) . .
C14 N13 C13 122.2(4) . .
N7 C7 H7A 109.5 . .
N7 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N7 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C8 N7 C5 106.5(5) . .
C8 N7 C7 126.2(6) . .
C5 N7 C7 127.2(6) . .
C4 N3 C2 118.9(5) . .
C4 N3 C3 121.6(5) . .
C2 N3 C3 119.5(5) . .
C18 N19 C14 103.7(4) . .
C18 N19 Ag1 117.7(3) . .
C14 N19 Ag1 135.4(3) . .
Mo1 O3 Mo4 108.70(16) . .
Mo1 O3 Mo4 108.97(14) . 2_755
Mo4 O3 Mo4 104.58(14) . 2_755
C14 C15 N17 105.4(4) . .
C14 C15 C16 122.6(5) . .
N17 C15 C16 132.0(5) . .
C16 N11 C12 128.9(4) . .
C16 N11 H11 115.6 . .
C12 N11 H11 115.6 . .
C18 N17 C15 106.2(4) . .
C18 N17 C17 126.3(4) . .
C15 N17 C17 127.4(4) . .
O12T C12 N13 122.4(5) . .
O12T C12 N11 121.3(5) . .
N13 C12 N11 116.3(4) . .
C8 N9 C4 103.1(5) . .
C8 N9 Ag1 117.5(4) . .
C4 N9 Ag1 134.0(4) . .
N19 C14 C15 111.1(4) . .
N19 C14 N13 127.1(5) . .
C15 C14 N13 121.8(4) . .
N7 C8 N9 113.7(6) . .
N7 C8 H8 123.2 . .
N9 C8 H8 123.2 . .
N9 C4 N3 126.2(5) . .
N9 C4 C5 110.9(5) . .
N3 C4 C5 122.8(6) . .
N17 C17 H17A 109.5 . .
N17 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N17 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N13 C13 H13A 109.5 . .
N13 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N13 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O6T C6 N1 120.3(7) . .
O6T C6 C5 128.9(7) . .
N1 C6 C5 110.7(5) . .
N17 C18 N19 113.5(4) . .
N17 C18 H18 123.2 . .
N19 C18 H18 123.2 . .
O16T C16 N11 121.1(5) . .
O16T C16 C15 127.6(5) . .
N11 C16 C15 111.2(4) . .
N3 C3 H3A 109.5 . .
N3 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N3 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O2 1.694(4) .
Mo1 O1 1.739(4) .
Mo1 O3 1.935(3) .
Mo1 O4 1.947(3) .
Mo1 O8 2.172(3) .
Mo1 O8 2.309(3) 2_755
Mo1 Mo4 3.2015(6) .
Mo1 Mo2 3.2190(5) .
Mo2 O5 1.701(4) .
Mo2 O6 1.712(3) .
Mo2 O7 1.882(3) .
Mo2 O4 2.012(3) .
Mo2 O4 2.265(3) 2_755
Mo2 O8 2.305(3) .
Mo3 O13 1.685(4) .
Mo3 O12 1.712(4) .
Mo3 O11 1.905(4) .
Mo3 O7 1.930(4) .
Mo3 O1 2.292(4) 2_755
Mo3 O8 2.469(3) .
Ag1 N19 2.252(4) .
Ag1 N9 2.276(5) .
Ag1 O4W 2.427(7) .
Mo4 O9 1.690(4) .
Mo4 O10 1.701(4) .
Mo4 O11 1.906(4) .
Mo4 O3 2.005(3) .
Mo4 O8 2.298(3) .
Mo4 O3 2.342(3) 2_755
Ag2 O6 2.353(4) 5_756
Ag2 O6 2.353(4) .
Ag2 O2 2.536(4) 5_756
Ag2 O2 2.536(4) .
O8 Mo1 2.309(3) 2_755
O4 Mo2 2.265(3) 2_755
O2T C2 1.222(8) .
O1 Mo3 2.292(4) 2_755
C5 N7 1.365(8) .
C5 C4 1.376(7) .
C5 C6 1.414(9) .
N1 C2 1.375(8) .
N1 C6 1.401(9) .
N1 H1 0.8600 .
C2 N3 1.376(9) .
O16T C16 1.224(6) .
N13 C12 1.369(6) .
N13 C14 1.380(6) .
N13 C13 1.456(7) .
C7 N7 1.466(7) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
N7 C8 1.323(8) .
N3 C4 1.367(7) .
N3 C3 1.459(7) .
O12T C12 1.225(6) .
N19 C18 1.340(7) .
N19 C14 1.353(6) .
O3 Mo4 2.342(3) 2_755
C15 C14 1.372(7) .
C15 N17 1.382(6) .
C15 C16 1.414(7) .
N11 C16 1.380(7) .
N11 C12 1.383(7) .
N11 H11 0.8600 .
N17 C18 1.323(7) .
N17 C17 1.466(7) .
N9 C8 1.343(8) .
N9 C4 1.359(8) .
C8 H8 0.9300 .
O6T C6 1.223(8) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C18 H18 0.9300 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
