#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:06:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179362 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/59/4325996.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_4325996
loop_
_publ_author_name
'Dongbin Dang'
'Guangshui Zheng'
'Yan Bai'
'Fan Yang'
'Hui Gao'
'Pengtao Ma'
'Jingyang Niu'
_publ_section_title
;
 Construction of Polyoxometalate-Based Inorganic-Organic Compounds Using
 Silver(I) Double Helicates as Secondary Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7907
_journal_page_last               7909
_journal_paper_doi               10.1021/ic200159w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C56 H63 Ag4 Mo12 N16 O44 P'
_chemical_formula_weight         3277.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.079(7)
_cell_angle_beta                 105.530(8)
_cell_angle_gamma                104.096(5)
_cell_formula_units_Z            1
_cell_length_a                   11.3822(9)
_cell_length_b                   15.4636(12)
_cell_length_c                   15.8905(19)
_cell_measurement_reflns_used    3651
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     2304.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0813
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20876
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    2.512
_exptl_absorpt_correction_T_max  0.7044
_exptl_absorpt_correction_T_min  0.6080
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.357
_exptl_crystal_F_000             1563
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.833
_refine_diff_density_min         -1.979
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     633
_refine_ls_number_reflns         8072
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0850P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1471
_refine_ls_wR_factor_ref         0.1646
_reflns_number_gt                5090
_reflns_number_total             8072
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200159w_si_001_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2304.1(4)
_cod_database_code               4325996
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
P1 P 1.0000 1.5000 1.5000 0.0277(8) Uani 1 2 d S . .
Mo1 Mo 0.76198(9) 1.32085(8) 1.52030(8) 0.0494(3) Uani 1 1 d . . .
Mo2 Mo 0.66712(9) 1.38240(8) 1.32552(7) 0.0450(3) Uani 1 1 d . . .
Mo3 Mo 0.74968(8) 1.56311(7) 1.57178(7) 0.0384(3) Uani 1 1 d . . .
Mo4 Mo 0.91007(10) 1.54765(8) 1.29606(7) 0.0480(3) Uani 1 1 d . . .
Mo5 Mo 0.97466(10) 1.73481(7) 1.53461(7) 0.0420(3) Uani 1 1 d . . .
Mo6 Mo 1.08470(9) 1.69209(7) 1.74199(7) 0.0377(3) Uani 1 1 d . . .
O1 O 0.6522(8) 1.2416(6) 1.5331(7) 0.069(3) Uani 1 1 d . . .
O2 O 0.5128(7) 1.3255(6) 1.2424(5) 0.051(2) Uani 1 1 d . . .
O3 O 0.6336(7) 1.5930(6) 1.6038(6) 0.056(2) Uani 1 1 d . . .
O4 O 0.8677(8) 1.5711(7) 1.2008(5) 0.062(2) Uani 1 1 d . . .
O5 O 0.9670(8) 1.8447(6) 1.5507(7) 0.061(2) Uani 1 1 d . . .
O6 O 1.1207(7) 1.7791(6) 1.8553(5) 0.056(2) Uani 1 1 d . . .
O7 O 0.9090(8) 1.3830(8) 1.6470(6) 0.075(3) Uani 1 1 d . . .
O8 O 0.8530(7) 1.2470(7) 1.4706(6) 0.074(3) Uani 1 1 d . . .
O9 O 0.7280(10) 1.4419(6) 1.5769(6) 0.073(3) Uani 1 1 d . . .
O10 O 0.6680(10) 1.3053(6) 1.3972(6) 0.077(3) Uani 1 1 d . . .
O11 O 0.7405(9) 1.4742(7) 1.2866(8) 0.083(3) Uani 1 1 d . . .
O12 O 0.6588(10) 1.4820(6) 1.4303(5) 0.069(3) Uani 1 1 d . . .
O13 O 0.8954(7) 1.6340(7) 1.6922(6) 0.072(3) Uani 1 1 d . . .
O14 O 0.9264(9) 1.4256(7) 1.2388(9) 0.090(4) Uani 1 1 d . . .
O15 O 0.8214(7) 1.6705(7) 1.5427(6) 0.067(3) Uani 1 1 d . . .
O16 O 0.9043(7) 1.6628(7) 1.3997(6) 0.069(3) Uani 1 1 d . . .
O17 O 1.0668(7) 1.7629(7) 1.6699(6) 0.061(3) Uani 1 1 d . . .
O18 O 1.2491(9) 1.7001(7) 1.7421(8) 0.082(3) Uani 1 1 d . . .
O19 O 0.9662(11) 1.5853(9) 1.5595(9) 0.023(3) Uani 0.50 1 d P . .
O20 O 0.9780(11) 1.4176(9) 1.5316(9) 0.026(3) Uani 0.50 1 d P . .
O21 O 1.1421(11) 1.5404(9) 1.5119(9) 0.026(3) Uani 0.50 1 d P . .
O22 O 1.0925(11) 1.5489(9) 1.6141(8) 0.023(3) Uani 0.50 1 d P . .
Ag1 Ag 0.29001(8) 1.35178(6) 0.87925(6) 0.0425(2) Uani 1 1 d . . .
Ag2 Ag 0.16113(9) 1.01551(7) 0.80970(8) 0.0647(3) Uani 1 1 d . . .
N1 N 0.3810(8) 1.3517(6) 0.7697(6) 0.037(2) Uani 1 1 d . . .
N2 N 0.1738(8) 1.1895(6) 0.7295(6) 0.035(2) Uani 1 1 d . . .
N3 N 0.0881(9) 1.1036(6) 0.7224(6) 0.040(2) Uani 1 1 d . . .
N4 N -0.0609(8) 0.9611(6) 0.7490(6) 0.037(2) Uani 1 1 d . . .
N5 N 0.3621(9) 1.0128(8) 0.8492(9) 0.066(3) Uani 1 1 d . . .
N6 N 0.3261(10) 1.1805(7) 0.9568(7) 0.054(3) Uani 1 1 d . . .
N7 N 0.3040(9) 1.2674(8) 0.9830(7) 0.055(3) Uani 1 1 d . . .
N8 N 0.2288(9) 1.4252(8) 1.0030(7) 0.053(3) Uani 1 1 d . . .
C1 C 0.4663(10) 1.4346(9) 0.7800(8) 0.044(3) Uani 1 1 d . . .
H1A H 0.5021 1.4926 0.8409 0.053 Uiso 1 1 calc R . .
C2 C 0.5058(10) 1.4410(8) 0.7063(8) 0.039(3) Uani 1 1 d . . .
H2A H 0.5648 1.5014 0.7170 0.046 Uiso 1 1 calc R . .
C3 C 0.4543(10) 1.3544(9) 0.6165(9) 0.048(3) Uani 1 1 d . . .
H3A H 0.4777 1.3539 0.5646 0.057 Uiso 1 1 calc R . .
C4 C 0.3664(11) 1.2682(9) 0.6070(8) 0.042(3) Uani 1 1 d . . .
H4A H 0.3309 1.2089 0.5472 0.051 Uiso 1 1 calc R . .
C5 C 0.3301(10) 1.2669(8) 0.6811(7) 0.035(2) Uani 1 1 d . . .
C6 C 0.2311(10) 1.1741(8) 0.6673(8) 0.040(3) Uani 1 1 d . . .
C7 C 0.2064(13) 1.0744(8) 0.5896(9) 0.064(4) Uani 1 1 d . . .
H7A H 0.1397 1.0232 0.5903 0.096 Uiso 1 1 calc R . .
H7B H 0.2865 1.0621 0.6015 0.096 Uiso 1 1 calc R . .
H7C H 0.1770 1.0725 0.5262 0.096 Uiso 1 1 calc R . .
C8 C -0.0348(10) 1.0900(8) 0.6968(8) 0.040(3) Uani 1 1 d . . .
C9 C -0.0903(12) 1.1559(9) 0.6618(10) 0.057(3) Uani 1 1 d . . .
H9A H -0.0200 1.2077 0.6649 0.085 Uiso 1 1 calc R . .
H9B H -0.1313 1.1865 0.7036 0.085 Uiso 1 1 calc R . .
H9C H -0.1547 1.1151 0.5948 0.085 Uiso 1 1 calc R . .
C10 C -0.1192(9) 1.0025(8) 0.6996(7) 0.036(2) Uani 1 1 d . . .
C11 C -0.2559(10) 0.9664(8) 0.6525(7) 0.042(3) Uani 1 1 d . . .
H11A H -0.2956 0.9966 0.6191 0.051 Uiso 1 1 calc R . .
C12 C -0.3332(11) 0.8823(9) 0.6567(8) 0.052(3) Uani 1 1 d . . .
H12A H -0.4249 0.8564 0.6262 0.062 Uiso 1 1 calc R . .
C13 C -0.2716(10) 0.8406(8) 0.7057(8) 0.043(3) Uani 1 1 d . . .
H13A H -0.3206 0.7851 0.7088 0.051 Uiso 1 1 calc R . .
C14 C -0.1360(11) 0.8808(8) 0.7510(8) 0.044(3) Uani 1 1 d . . .
H14A H -0.0947 0.8512 0.7843 0.053 Uiso 1 1 calc R . .
C15 C 0.3843(12) 0.9288(11) 0.8022(13) 0.087(5) Uani 1 1 d . . .
H15A H 0.3163 0.8753 0.7442 0.105 Uiso 1 1 calc R . .
C16 C 0.5036(14) 0.9184(12) 0.8365(16) 0.112(7) Uani 1 1 d . . .
H16A H 0.5128 0.8577 0.8052 0.134 Uiso 1 1 calc R . .
C17 C 0.6080(14) 1.0007(13) 0.9181(17) 0.131(9) Uani 1 1 d . . .
H17A H 0.6894 0.9970 0.9430 0.157 Uiso 1 1 calc R . .
C18 C 0.5873(12) 1.0903(12) 0.9627(14) 0.100(6) Uani 1 1 d . . .
H18A H 0.6561 1.1477 1.0166 0.119 Uiso 1 1 calc R . .
C19 C 0.4645(12) 1.0922(11) 0.9258(11) 0.073(4) Uani 1 1 d . . .
C20 C 0.4423(12) 1.1889(11) 0.9699(10) 0.066(4) Uani 1 1 d . . .
C21 C 0.5615(13) 1.2866(10) 1.0248(10) 0.077(4) Uani 1 1 d . . .
H21A H 0.5348 1.3422 1.0491 0.116 Uiso 1 1 calc R . .
H21B H 0.6026 1.2933 0.9809 0.116 Uiso 1 1 calc R . .
H21C H 0.6232 1.2867 1.0796 0.116 Uiso 1 1 calc R . .
C22 C 0.2386(13) 1.2864(13) 1.0379(11) 0.071(4) Uani 1 1 d . . .
C23 C 0.2025(16) 1.2227(19) 1.0871(16) 0.151(10) Uani 1 1 d . . .
H23A H 0.2272 1.1656 1.0648 0.226 Uiso 1 1 calc R . .
H23B H 0.1090 1.1994 1.0699 0.226 Uiso 1 1 calc R . .
H23C H 0.2486 1.2628 1.1577 0.226 Uiso 1 1 calc R . .
C24 C 0.2109(11) 1.3789(11) 1.0586(9) 0.060(4) Uani 1 1 d . . .
C25 C 0.1687(15) 1.4175(17) 1.1316(12) 0.088(5) Uani 1 1 d . . .
H25A H 0.1525 1.3833 1.1671 0.106 Uiso 1 1 calc R . .
C26 C 0.1493(19) 1.509(2) 1.1541(14) 0.149(12) Uani 1 1 d . . .
H26A H 0.1252 1.5378 1.2063 0.179 Uiso 1 1 calc R . .
C27 C 0.1667(17) 1.5538(17) 1.0974(13) 0.122(8) Uani 1 1 d . . .
H27A H 0.1536 1.6136 1.1091 0.146 Uiso 1 1 calc R . .
C28 C 0.2045(14) 1.5089(11) 1.0217(10) 0.078(4) Uani 1 1 d . . .
H28A H 0.2133 1.5388 0.9815 0.094 Uiso 1 1 calc R . .
O1W O 0.533(3) 1.097(3) 1.604(3) 0.117(11) Uiso 0.37 1 d P A 1
O2W O 0.501(5) 0.975(4) 1.470(3) 0.092(14) Uiso 0.25 1 d P . 2
O3W O 0.612(6) 1.170(4) 1.746(4) 0.12(2) Uiso 0.25 1 d P B 1
O4W O 0.826(7) 1.206(5) 1.888(5) 0.15(3) Uiso 0.25 1 d P C 3
O5W O 0.073(3) 0.990(3) 0.978(2) 0.065(9) Uiso 0.25 1 d P D 2
O6W O 0.886(5) 1.204(4) 1.918(4) 0.088(14) Uiso 0.25 1 d P . 2
O7W O -0.105(6) 1.145(5) 0.934(4) 0.052(16) Uiso 0.13 1 d P . 2
O8W O 0.561(6) 1.175(5) 1.771(5) 0.13(2) Uiso 0.25 1 d P E 2
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'
P P 0.1023 0.0942 '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
O19 P1 O19 180.000(13) . 2_788
O19 P1 O21 110.1(7) . .
O19 P1 O21 69.9(7) 2_788 .
O19 P1 O21 69.9(7) . 2_788
O19 P1 O21 110.1(7) 2_788 2_788
O21 P1 O21 180.000(5) . 2_788
O19 P1 O20 69.0(6) . 2_788
O19 P1 O20 111.0(6) 2_788 2_788
O21 P1 O20 69.9(6) . 2_788
O21 P1 O20 110.1(6) 2_788 2_788
O19 P1 O20 111.0(6) . .
O19 P1 O20 69.0(6) 2_788 .
O21 P1 O20 110.1(6) . .
O21 P1 O20 69.9(6) 2_788 .
O20 P1 O20 180.000(8) 2_788 .
O19 P1 O22 70.8(6) . .
O19 P1 O22 109.2(6) 2_788 .
O21 P1 O22 72.0(6) . .
O21 P1 O22 108.0(6) 2_788 .
O20 P1 O22 108.3(6) 2_788 .
O20 P1 O22 71.7(6) . .
O19 P1 O22 109.2(6) . 2_788
O19 P1 O22 70.8(6) 2_788 2_788
O21 P1 O22 108.0(6) . 2_788
O21 P1 O22 72.0(6) 2_788 2_788
O20 P1 O22 71.7(6) 2_788 2_788
O20 P1 O22 108.3(6) . 2_788
O22 P1 O22 180.000(7) . 2_788
O1 Mo1 O8 103.4(5) . .
O1 Mo1 O10 102.1(5) . .
O8 Mo1 O10 92.0(4) . .
O1 Mo1 O7 101.5(4) . .
O8 Mo1 O7 86.5(3) . .
O10 Mo1 O7 156.0(5) . .
O1 Mo1 O9 100.6(4) . .
O8 Mo1 O9 155.7(5) . .
O10 Mo1 O9 87.1(4) . .
O7 Mo1 O9 84.6(4) . .
O1 Mo1 O21 158.6(4) . 2_788
O8 Mo1 O21 94.6(4) . 2_788
O10 Mo1 O21 65.4(4) . 2_788
O7 Mo1 O21 90.9(4) . 2_788
O9 Mo1 O21 63.0(4) . 2_788
O1 Mo1 O20 159.6(4) . .
O8 Mo1 O20 63.7(4) . .
O10 Mo1 O20 94.4(4) . .
O7 Mo1 O20 63.5(4) . .
O9 Mo1 O20 92.1(4) . .
O21 Mo1 O20 41.4(4) 2_788 .
O2 Mo2 O12 103.0(4) . .
O2 Mo2 O11 101.4(4) . .
O12 Mo2 O11 92.1(4) . .
O2 Mo2 O10 101.8(4) . .
O12 Mo2 O10 87.8(4) . .
O11 Mo2 O10 156.2(5) . .
O2 Mo2 O18 101.3(4) . 2_788
O12 Mo2 O18 155.5(4) . 2_788
O11 Mo2 O18 85.9(4) . 2_788
O10 Mo2 O18 84.5(4) . 2_788
O2 Mo2 O22 156.7(4) . 2_788
O12 Mo2 O22 95.7(4) . 2_788
O11 Mo2 O22 63.7(4) . 2_788
O10 Mo2 O22 92.6(4) . 2_788
O18 Mo2 O22 61.6(4) 2_788 2_788
O2 Mo2 O21 159.7(4) . 2_788
O12 Mo2 O21 64.1(4) . 2_788
O11 Mo2 O21 95.0(4) . 2_788
O10 Mo2 O21 63.6(4) . 2_788
O18 Mo2 O21 91.7(4) 2_788 2_788
O22 Mo2 O21 43.5(4) 2_788 2_788
O3 Mo3 O13 102.1(4) . .
O3 Mo3 O9 102.6(4) . .
O13 Mo3 O9 91.3(4) . .
O3 Mo3 O12 102.2(4) . .
O13 Mo3 O12 155.5(4) . .
O9 Mo3 O12 86.8(3) . .
O3 Mo3 O15 101.2(4) . .
O13 Mo3 O15 87.1(3) . .
O9 Mo3 O15 156.0(4) . .
O12 Mo3 O15 84.9(4) . .
O3 Mo3 O21 159.6(4) . 2_788
O13 Mo3 O21 93.5(4) . 2_788
O9 Mo3 O21 63.6(4) . 2_788
O12 Mo3 O21 63.9(4) . 2_788
O15 Mo3 O21 92.6(4) . 2_788
O3 Mo3 O19 159.2(4) . .
O13 Mo3 O19 64.9(4) . .
O9 Mo3 O19 94.2(4) . .
O12 Mo3 O19 90.9(4) . .
O15 Mo3 O19 63.5(4) . .
O21 Mo3 O19 41.1(4) 2_788 .
O4 Mo4 O14 101.8(5) . .
O4 Mo4 O7 101.1(4) . 2_788
O14 Mo4 O7 91.7(4) . 2_788
O4 Mo4 O11 101.6(5) . .
O14 Mo4 O11 87.9(4) . .
O7 Mo4 O11 156.8(4) 2_788 .
O4 Mo4 O16 101.1(4) . .
O14 Mo4 O16 156.9(5) . .
O7 Mo4 O16 86.4(3) 2_788 .
O11 Mo4 O16 85.0(4) . .
O4 Mo4 O22 158.0(4) . 2_788
O14 Mo4 O22 63.5(4) . 2_788
O7 Mo4 O22 95.9(4) 2_788 2_788
O11 Mo4 O22 63.3(4) . 2_788
O16 Mo4 O22 93.8(4) . 2_788
O4 Mo4 O20 158.2(4) . 2_788
O14 Mo4 O20 95.1(5) . 2_788
O7 Mo4 O20 64.4(4) 2_788 2_788
O11 Mo4 O20 92.5(4) . 2_788
O16 Mo4 O20 63.4(4) . 2_788
O22 Mo4 O20 43.8(4) 2_788 2_788
O5 Mo5 O16 101.1(5) . .
O5 Mo5 O15 102.7(4) . .
O16 Mo5 O15 92.7(4) . .
O5 Mo5 O8 101.3(4) . 2_788
O16 Mo5 O8 87.1(3) . 2_788
O15 Mo5 O8 155.5(4) . 2_788
O5 Mo5 O17 102.0(4) . .
O16 Mo5 O17 156.5(4) . .
O15 Mo5 O17 86.7(3) . .
O8 Mo5 O17 83.9(3) 2_788 .
O5 Mo5 O20 158.4(4) . 2_788
O16 Mo5 O20 65.2(4) . 2_788
O15 Mo5 O20 94.9(4) . 2_788
O8 Mo5 O20 62.9(4) 2_788 2_788
O17 Mo5 O20 91.4(4) . 2_788
O5 Mo5 O19 160.5(4) . .
O16 Mo5 O19 94.4(4) . .
O15 Mo5 O19 64.6(4) . .
O8 Mo5 O19 91.0(4) 2_788 .
O17 Mo5 O19 64.2(4) . .
O20 Mo5 O19 40.9(4) 2_788 .
O6 Mo6 O18 102.8(4) . .
O6 Mo6 O17 102.2(4) . .
O18 Mo6 O17 91.9(4) . .
O6 Mo6 O13 100.6(4) . .
O18 Mo6 O13 156.0(5) . .
O17 Mo6 O13 88.0(3) . .
O6 Mo6 O14 101.2(5) . 2_788
O18 Mo6 O14 86.7(3) . 2_788
O17 Mo6 O14 156.3(5) . 2_788
O13 Mo6 O14 83.9(4) . 2_788
O6 Mo6 O22 157.8(4) . .
O18 Mo6 O22 63.2(4) . .
O17 Mo6 O22 95.7(4) . .
O13 Mo6 O22 92.9(4) . .
O14 Mo6 O22 62.6(4) 2_788 .
O6 Mo6 O19 158.9(4) . .
O18 Mo6 O19 94.4(4) . .
O17 Mo6 O19 64.8(4) . .
O13 Mo6 O19 63.9(4) . .
O14 Mo6 O19 91.7(5) 2_788 .
O22 Mo6 O19 43.0(4) . .
Mo4 O7 Mo1 139.8(5) 2_788 .
Mo1 O8 Mo5 140.5(6) . 2_788
Mo3 O9 Mo1 139.9(6) . .
Mo1 O10 Mo2 139.0(5) . .
Mo2 O11 Mo4 139.3(5) . .
Mo2 O12 Mo3 140.4(5) . .
Mo3 O13 Mo6 139.4(5) . .
Mo4 O14 Mo6 139.3(6) . 2_788
Mo5 O15 Mo3 139.6(5) . .
Mo5 O16 Mo4 139.2(5) . .
Mo6 O17 Mo5 138.5(5) . .
Mo6 O18 Mo2 140.3(6) . 2_788
P1 O19 O20 55.9(6) . 2_788
P1 O19 O21 55.1(5) . 2_788
O20 O19 O21 92.4(8) 2_788 2_788
P1 O19 O22 56.6(5) . .
O20 O19 O22 91.8(7) 2_788 .
O21 O19 O22 90.6(7) 2_788 .
P1 O19 Mo5 124.8(6) . .
O20 O19 Mo5 68.9(5) 2_788 .
O21 O19 Mo5 131.2(7) 2_788 .
O22 O19 Mo5 132.6(7) . .
P1 O19 Mo3 124.3(6) . .
O20 O19 Mo3 134.4(7) 2_788 .
O21 O19 Mo3 69.2(5) 2_788 .
O22 O19 Mo3 128.2(7) . .
Mo5 O19 Mo3 91.9(4) . .
P1 O19 Mo6 123.1(6) . .
O20 O19 Mo6 128.8(7) 2_788 .
O21 O19 Mo6 131.2(7) 2_788 .
O22 O19 Mo6 66.5(5) . .
Mo5 O19 Mo6 91.9(4) . .
Mo3 O19 Mo6 91.2(4) . .
P1 O20 O19 55.1(5) . 2_788
P1 O20 O21 54.8(5) . 2_788
O19 O20 O21 91.6(8) 2_788 2_788
P1 O20 Mo5 125.3(6) . 2_788
O19 O20 Mo5 70.2(6) 2_788 2_788
O21 O20 Mo5 135.6(7) 2_788 2_788
P1 O20 Mo1 123.7(6) . .
O19 O20 Mo1 130.7(7) 2_788 .
O21 O20 Mo1 69.0(5) 2_788 .
Mo5 O20 Mo1 92.3(4) 2_788 .
P1 O20 Mo4 122.4(6) . 2_788
O19 O20 Mo4 132.7(7) 2_788 2_788
O21 O20 Mo4 127.2(7) 2_788 2_788
Mo5 O20 Mo4 91.9(4) 2_788 2_788
Mo1 O20 Mo4 91.9(4) . 2_788
P1 O21 O19 55.0(5) . 2_788
P1 O21 O20 55.4(5) . 2_788
O19 O21 O20 92.2(7) 2_788 2_788
P1 O21 Mo1 124.9(6) . 2_788
O19 O21 Mo1 136.0(7) 2_788 2_788
O20 O21 Mo1 69.6(5) 2_788 2_788
P1 O21 Mo3 124.6(7) . 2_788
O19 O21 Mo3 69.7(5) 2_788 2_788
O20 O21 Mo3 132.1(7) 2_788 2_788
Mo1 O21 Mo3 92.9(4) 2_788 2_788
P1 O21 Mo2 122.4(6) . 2_788
O19 O21 Mo2 127.5(7) 2_788 2_788
O20 O21 Mo2 131.8(8) 2_788 2_788
Mo1 O21 Mo2 91.4(4) 2_788 2_788
Mo3 O21 Mo2 91.1(4) 2_788 2_788
P1 O22 O19 52.6(5) . .
P1 O22 Mo6 123.1(6) . .
O19 O22 Mo6 70.5(5) . .
P1 O22 Mo4 122.0(6) . 2_788
O19 O22 Mo4 130.0(7) . 2_788
Mo6 O22 Mo4 94.1(4) . 2_788
P1 O22 Mo2 121.9(6) . 2_788
O19 O22 Mo2 133.6(7) . 2_788
Mo6 O22 Mo2 94.6(4) . 2_788
Mo4 O22 Mo2 93.5(4) 2_788 2_788
N1 Ag1 N8 153.9(4) . .
N1 Ag1 N2 70.7(3) . .
N8 Ag1 N2 130.3(3) . .
N1 Ag1 N7 130.8(3) . .
N8 Ag1 N7 70.2(4) . .
N2 Ag1 N7 91.0(3) . .
N5 Ag2 N4 160.4(3) . .
N5 Ag2 N3 123.4(3) . .
N4 Ag2 N3 70.0(3) . .
N5 Ag2 N6 69.7(4) . .
N4 Ag2 N6 127.6(3) . .
N3 Ag2 N6 90.8(3) . .
C1 N1 C5 117.5(9) . .
C1 N1 Ag1 123.3(7) . .
C5 N1 Ag1 118.2(6) . .
C6 N2 N3 116.1(9) . .
C6 N2 Ag1 114.7(7) . .
N3 N2 Ag1 124.6(6) . .
C8 N3 N2 117.6(9) . .
C8 N3 Ag2 115.8(7) . .
N2 N3 Ag2 122.7(6) . .
C10 N4 C14 119.0(9) . .
C10 N4 Ag2 118.6(7) . .
C14 N4 Ag2 121.9(7) . .
C19 N5 C15 117.3(11) . .
C19 N5 Ag2 120.4(10) . .
C15 N5 Ag2 122.1(8) . .
C20 N6 N7 116.5(10) . .
C20 N6 Ag2 111.9(9) . .
N7 N6 Ag2 122.6(7) . .
C22 N7 N6 119.5(12) . .
C22 N7 Ag1 112.8(9) . .
N6 N7 Ag1 122.2(8) . .
C28 N8 C24 118.5(12) . .
C28 N8 Ag1 123.6(9) . .
C24 N8 Ag1 117.8(9) . .
N1 C1 C2 124.7(11) . .
N1 C1 H1A 117.6 . .
C2 C1 H1A 117.6 . .
C3 C2 C1 117.5(10) . .
C3 C2 H2A 121.2 . .
C1 C2 H2A 121.2 . .
C2 C3 C4 117.2(11) . .
C2 C3 H3A 121.4 . .
C4 C3 H3A 121.4 . .
C5 C4 C3 122.6(11) . .
C5 C4 H4A 118.7 . .
C3 C4 H4A 118.7 . .
C4 C5 N1 120.4(10) . .
C4 C5 C6 121.4(10) . .
N1 C5 C6 118.1(9) . .
N2 C6 C7 124.7(10) . .
N2 C6 C5 115.2(10) . .
C7 C6 C5 120.1(10) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N3 C8 C10 115.2(9) . .
N3 C8 C9 122.4(10) . .
C10 C8 C9 122.4(9) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N4 C10 C11 121.6(10) . .
N4 C10 C8 118.3(9) . .
C11 C10 C8 120.0(9) . .
C10 C11 C12 118.2(10) . .
C10 C11 H11A 120.9 . .
C12 C11 H11A 120.9 . .
C13 C12 C11 119.0(10) . .
C13 C12 H12A 120.5 . .
C11 C12 H12A 120.5 . .
C12 C13 C14 119.6(10) . .
C12 C13 H13A 120.2 . .
C14 C13 H13A 120.2 . .
N4 C14 C13 122.6(10) . .
N4 C14 H14A 118.7 . .
C13 C14 H14A 118.7 . .
N5 C15 C16 123.3(14) . .
N5 C15 H15A 118.3 . .
C16 C15 H15A 118.3 . .
C17 C16 C15 118.3(17) . .
C17 C16 H16A 120.8 . .
C15 C16 H16A 120.8 . .
C16 C17 C18 118.1(15) . .
C16 C17 H17A 121.0 . .
C18 C17 H17A 121.0 . .
C19 C18 C17 119.4(14) . .
C19 C18 H18A 120.3 . .
C17 C18 H18A 120.3 . .
N5 C19 C18 123.2(15) . .
N5 C19 C20 116.7(11) . .
C18 C19 C20 120.1(13) . .
N6 C20 C21 125.7(14) . .
N6 C20 C19 116.9(11) . .
C21 C20 C19 117.4(12) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N7 C22 C24 116.8(12) . .
N7 C22 C23 122.0(16) . .
C24 C22 C23 121.0(15) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N8 C24 C25 120.4(15) . .
N8 C24 C22 118.3(12) . .
C25 C24 C22 121.3(14) . .
C24 C25 C26 120.6(17) . .
C24 C25 H25A 119.7 . .
C26 C25 H25A 119.7 . .
C27 C26 C25 118.0(15) . .
C27 C26 H26A 121.0 . .
C25 C26 H26A 121.0 . .
C26 C27 C28 119(2) . .
C26 C27 H27A 120.7 . .
C28 C27 H27A 120.7 . .
N8 C28 C27 123.7(18) . .
N8 C28 H28A 118.2 . .
C27 C28 H28A 118.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O19 1.513(11) .
P1 O19 1.513(11) 2_788
P1 O21 1.516(11) .
P1 O21 1.516(11) 2_788
P1 O20 1.527(11) 2_788
P1 O20 1.527(11) .
P1 O22 1.589(11) .
P1 O22 1.589(11) 2_788
Mo1 O1 1.637(7) .
Mo1 O8 1.827(8) .
Mo1 O10 1.852(8) .
Mo1 O7 1.933(8) .
Mo1 O9 1.934(8) .
Mo1 O21 2.458(12) 2_788
Mo1 O20 2.467(11) .
Mo2 O2 1.654(7) .
Mo2 O12 1.839(8) .
Mo2 O11 1.859(9) .
Mo2 O10 1.934(9) .
Mo2 O18 1.950(9) 2_788
Mo2 O22 2.439(11) 2_788
Mo2 O21 2.495(12) 2_788
Mo3 O3 1.642(7) .
Mo3 O13 1.858(7) .
Mo3 O9 1.865(8) .
Mo3 O12 1.924(8) .
Mo3 O15 1.938(8) .
Mo3 O21 2.466(12) 2_788
Mo3 O19 2.474(11) .
Mo4 O4 1.663(7) .
Mo4 O14 1.843(9) .
Mo4 O7 1.845(8) 2_788
Mo4 O11 1.919(8) .
Mo4 O16 1.949(8) .
Mo4 O22 2.423(11) 2_788
Mo4 O20 2.470(12) 2_788
Mo5 O5 1.648(7) .
Mo5 O16 1.825(8) .
Mo5 O15 1.849(8) .
Mo5 O8 1.941(8) 2_788
Mo5 O17 1.944(7) .
Mo5 O20 2.452(12) 2_788
Mo5 O19 2.472(11) .
Mo6 O6 1.654(7) .
Mo6 O18 1.844(8) .
Mo6 O17 1.865(7) .
Mo6 O13 1.920(8) .
Mo6 O14 1.936(8) 2_788
Mo6 O22 2.418(12) .
Mo6 O19 2.485(12) .
O7 Mo4 1.845(8) 2_788
O8 Mo5 1.941(8) 2_788
O14 Mo6 1.936(8) 2_788
O18 Mo2 1.950(9) 2_788
O19 O20 1.721(17) 2_788
O19 O21 1.735(17) 2_788
O19 O22 1.797(16) .
O20 O19 1.721(17) 2_788
O20 O21 1.743(16) 2_788
O20 Mo5 2.452(12) 2_788
O20 Mo4 2.470(12) 2_788
O21 O19 1.735(17) 2_788
O21 O20 1.743(16) 2_788
O21 Mo1 2.458(11) 2_788
O21 Mo3 2.466(12) 2_788
O21 Mo2 2.495(11) 2_788
O22 Mo4 2.423(11) 2_788
O22 Mo2 2.439(11) 2_788
Ag1 N1 2.251(8) .
Ag1 N8 2.254(10) .
Ag1 N2 2.432(8) .
Ag1 N7 2.454(10) .
Ag2 N5 2.220(10) .
Ag2 N4 2.252(8) .
Ag2 N3 2.413(8) .
Ag2 N6 2.517(10) .
N1 C1 1.328(13) .
N1 C5 1.358(12) .
N2 C6 1.306(13) .
N2 N3 1.388(11) .
N3 C8 1.287(12) .
N4 C10 1.332(12) .
N4 C14 1.342(13) .
N5 C19 1.329(16) .
N5 C15 1.356(18) .
N6 C20 1.249(15) .
N6 N7 1.357(13) .
N7 C22 1.289(16) .
N8 C28 1.330(16) .
N8 C24 1.354(15) .
C1 C2 1.390(14) .
C1 H1A 0.9300 .
C2 C3 1.381(15) .
C2 H2A 0.9300 .
C3 C4 1.384(15) .
C3 H3A 0.9300 .
C4 C5 1.354(14) .
C4 H4A 0.9300 .
C5 C6 1.490(15) .
C6 C7 1.468(15) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C10 1.479(14) .
C8 C9 1.515(15) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.389(13) .
C11 C12 1.418(15) .
C11 H11A 0.9300 .
C12 C13 1.348(16) .
C12 H12A 0.9300 .
C13 C14 1.374(14) .
C13 H13A 0.9300 .
C14 H14A 0.9300 .
C15 C16 1.394(19) .
C15 H15A 0.9300 .
C16 C17 1.38(2) .
C16 H16A 0.9300 .
C17 C18 1.41(2) .
C17 H17A 0.9300 .
C18 C19 1.376(17) .
C18 H18A 0.9300 .
C19 C20 1.510(19) .
C20 C21 1.503(17) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C24 1.48(2) .
C22 C23 1.518(18) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C25 1.36(2) .
C25 C26 1.41(3) .
C25 H25A 0.9300 .
C26 C27 1.35(3) .
C26 H26A 0.9300 .
C27 C28 1.38(2) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
O2W O2W 0.99(8) 2_678
O6W O7W 1.04(7) 1_656
O7W O6W 1.04(7) 1_454
