#------------------------------------------------------------------------------
#$Date: 2015-06-07 01:43:33 +0300 (Sun, 07 Jun 2015) $
#$Revision: 138593 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/47/7034792.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_7034792
loop_
_publ_author_name
'Tian, Aixiang'
'Ning, Yali'
'Ying, Jun'
'Zhang, Juwen'
'Hou, Xue'
'Li, Tianjiao'
'Wang, Xiuli'
_publ_section_title
;
 Highly efficient usage of the hydrothermal technique through the one-pot
 method to construct four Keggin-based compounds containing pendent
 ligands.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10499
_journal_page_last               10507
_journal_paper_doi               10.1039/c5dt00903k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C36 H36 Ag3 Mo12 N12 O40 P'
_chemical_formula_weight         2782.63
_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
_audit_update_record
;
2015-01-09 deposited with the CCDC.
2015-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                98.0890(10)
_cell_angle_beta                 107.5170(10)
_cell_angle_gamma                110.1450(10)
_cell_formula_units_Z            2
_cell_length_a                   11.8729(7)
_cell_length_b                   16.5311(10)
_cell_length_c                   19.4313(12)
_cell_measurement_temperature    296(2)
_cell_volume                     3284.8(3)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24027
_diffrn_reflns_theta_full        28.15
_diffrn_reflns_theta_max         28.15
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    3.206
_exptl_absorpt_correction_T_max  0.5440
_exptl_absorpt_correction_T_min  0.4990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2632
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.278
_refine_diff_density_min         -1.593
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     940
_refine_ls_number_reflns         16099
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0337
_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)+(0.0293P)²+3.7719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                12322
_reflns_number_total             16099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00903k2.cif
_cod_data_source_block           compound_3
_cod_depositor_comments
'Adding full bibliography for 7034790--7034793.cif.'
_cod_database_code               7034792
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
P1 P 0.25254(10) 0.24809(7) 0.74914(6) 0.01388(19) Uani 1 1 d .
Mo1 Mo 0.15987(4) 0.10124(2) 0.85662(2) 0.02163(8) Uani 1 1 d .
O1 O 0.1173(2) 0.24722(18) 0.71516(14) 0.0163(6) Uani 1 1 d .
Ag1 Ag 0.59985(4) 0.15391(3) 0.56629(3) 0.04355(11) Uani 1 1 d .
C1 C 0.7288(6) 0.3579(4) 0.5859(5) 0.071(2) Uani 1 1 d .
H1A H 0.8042 0.3609 0.6212 0.085 Uiso 1 1 calc R
N1 N 0.6277(4) 0.2828(3) 0.5449(3) 0.0444(12) Uani 1 1 d .
Mo2 Mo 0.35304(4) 0.38459(2) 0.63514(2) 0.02053(8) Uani 1 1 d .
O2 O 0.3198(2) 0.26238(18) 0.69282(14) 0.0163(6) Uani 1 1 d .
Ag2 Ag 0.5000 0.5000 0.5000 0.05121(17) Uani 1 2 d S
C2 C 0.5440(6) 0.3118(4) 0.5046(3) 0.0407(13) Uani 1 1 d .
H2A H 0.4614 0.2734 0.4706 0.049 Uiso 1 1 calc R
N2 N 0.7095(4) 0.4281(3) 0.5705(4) 0.0619(17) Uani 1 1 d .
Mo3 Mo 0.07386(3) 0.37270(2) 0.68687(2) 0.02054(8) Uani 1 1 d .
O3 O 0.3328(3) 0.32395(17) 0.82198(14) 0.0169(6) Uani 1 1 d .
Ag3 Ag 0.0000 0.0000 1.0000 0.0557(2) Uani 1 2 d S
C3 C 0.8051(6) 0.5228(5) 0.5935(6) 0.109(4) Uani 1 1 d .
H3A H 0.8264 0.5363 0.5508 0.131 Uiso 1 1 calc R
H3B H 0.8838 0.5291 0.6323 0.131 Uiso 1 1 calc R
N3 N 0.5888(5) 0.3988(3) 0.5174(3) 0.0440(12) Uani 1 1 d .
Mo4 Mo 0.25141(4) 0.15900(2) 0.569678(19) 0.02015(8) Uani 1 1 d .
O4 O 0.2392(2) 0.15818(17) 0.76576(15) 0.0164(6) Uani 1 1 d .
Ag4 Ag 0.07118(6) -0.35265(3) 1.06550(3) 0.05721(14) Uani 1 1 d .
C4 C 0.7607(5) 0.5900(4) 0.6219(4) 0.063(2) Uani 1 1 d .
N4 N 0.5526(4) 0.0302(3) 0.5971(2) 0.0366(10) Uani 1 1 d .
Mo5 Mo 0.10786(4) 0.01037(2) 0.67495(2) 0.02082(8) Uani 1 1 d .
O5 O 0.5235(3) 0.0679(2) 0.84559(19) 0.0339(8) Uani 1 1 d .
C5 C 0.7992(6) 0.6725(4) 0.6045(4) 0.0587(18) Uani 1 1 d .
H5A H 0.8475 0.6826 0.5743 0.070 Uiso 1 1 calc R
N5 N 0.5603(5) -0.0928(3) 0.6300(3) 0.0508(13) Uani 1 1 d .
Mo6 Mo 0.26888(4) 0.34625(3) 0.92896(2) 0.02229(8) Uani 1 1 d .
O6 O -0.1854(3) 0.0893(2) 0.51638(17) 0.0316(8) Uani 1 1 d .
C6 C 0.7660(7) 0.7376(4) 0.6319(4) 0.070(2) Uani 1 1 d .
H6A H 0.7938 0.7925 0.6212 0.084 Uiso 1 1 calc R
N6 N 0.4640(4) -0.0744(3) 0.6442(3) 0.0377(10) Uani 1 1 d .
Mo7 Mo 0.54248(3) 0.28332(3) 0.71723(2) 0.02154(8) Uani 1 1 d .
O7 O 0.0978(3) 0.0431(2) 0.91101(18) 0.0344(8) Uani 1 1 d .
C7 C 0.6925(7) 0.7232(5) 0.6747(4) 0.073(2) Uani 1 1 d .
H7A H 0.6689 0.7681 0.6915 0.087 Uiso 1 1 calc R
N7 N 0.0591(5) -0.2522(3) 1.0106(3) 0.0418(11) Uani 1 1 d .
Mo8 Mo 0.41769(4) 0.11161(3) 0.81002(2) 0.02189(8) Uani 1 1 d .
O8 O 0.0379(3) -0.0964(2) 0.62404(18) 0.0331(8) Uani 1 1 d .
C8 C 0.6530(7) 0.6451(5) 0.6934(4) 0.074(2) Uani 1 1 d .
H8A H 0.6019 0.6357 0.7221 0.088 Uiso 1 1 calc R
N8 N 0.0421(5) -0.1257(3) 0.9921(2) 0.0399(11) Uani 1 1 d .
Mo9 Mo 0.40626(4) 0.48360(2) 0.83297(2) 0.02092(8) Uani 1 1 d .
O9 O 0.2469(3) 0.3677(2) 1.00980(17) 0.0349(8) Uani 1 1 d .
C9 C 0.6904(6) 0.5798(5) 0.6689(4) 0.072(2) Uani 1 1 d .
H9A H 0.6683 0.5274 0.6840 0.086 Uiso 1 1 calc R
N9 N -0.0204(4) -0.1918(3) 0.9262(2) 0.0354(10) Uani 1 1 d .
Mo10 Mo -0.05101(3) 0.15119(2) 0.59278(2) 0.02011(8) Uani 1 1 d .
O10 O 0.6871(3) 0.2917(2) 0.71675(19) 0.0338(8) Uani 1 1 d .
C10 C 0.6100(5) -0.0282(4) 0.6022(3) 0.0449(14) Uani 1 1 d .
H10A H 0.6790 -0.0226 0.5871 0.054 Uiso 1 1 calc R
N10 N 0.0398(5) -0.4597(3) 1.1164(3) 0.0449(11) Uani 1 1 d .
Mo11 Mo -0.04793(3) 0.21285(3) 0.76953(2) 0.02187(8) Uani 1 1 d .
O11 O 0.0203(3) 0.4477(2) 0.65575(18) 0.0295(7) Uani 1 1 d .
C11 C 0.4615(5) -0.0010(3) 0.6244(3) 0.0368(12) Uani 1 1 d .
H11A H 0.4045 0.0245 0.6291 0.044 Uiso 1 1 calc R
N11 N 0.0679(5) -0.5514(3) 1.1869(3) 0.0542(14) Uani 1 1 d .
Mo12 Mo 0.54901(4) 0.35332(3) 0.90948(2) 0.02203(8) Uani 1 1 d .
O12 O 0.7030(3) 0.3916(2) 0.97107(18) 0.0351(8) Uani 1 1 d .
C12 C 0.3903(7) -0.1257(4) 0.6835(4) 0.0582(18) Uani 1 1 d .
H12A H 0.3289 -0.1013 0.6889 0.070 Uiso 1 1 calc R
H12B H 0.4496 -0.1172 0.7335 0.070 Uiso 1 1 calc R
N12 N -0.0522(5) -0.5546(3) 1.1693(3) 0.0399(11) Uani 1 1 d .
O13 O -0.1684(3) 0.2003(2) 0.80089(18) 0.0330(8) Uani 1 1 d .
C13 C 0.3176(5) -0.2244(4) 0.6463(3) 0.0391(12) Uani 1 1 d .
O14 O 0.3921(3) 0.4668(2) 0.59291(18) 0.0301(7) Uani 1 1 d .
C14 C 0.2085(8) -0.2565(6) 0.5833(5) 0.099(3) Uani 1 1 d .
H14A H 0.1810 -0.2171 0.5608 0.119 Uiso 1 1 calc R
O15 O 0.4967(3) 0.2317(2) 0.88413(16) 0.0251(7) Uani 1 1 d .
C15 C 0.1385(10) -0.3481(7) 0.5526(5) 0.142(6) Uani 1 1 d .
H15A H 0.0633 -0.3705 0.5097 0.170 Uiso 1 1 calc R
O16 O 0.4530(3) 0.5948(2) 0.85330(18) 0.0332(8) Uani 1 1 d .
C16 C 0.1815(12) -0.4058(6) 0.5863(6) 0.124(5) Uani 1 1 d .
H16A H 0.1371 -0.4673 0.5650 0.148 Uiso 1 1 calc R
O17 O 0.4543(3) 0.3596(2) 0.96750(16) 0.0270(7) Uani 1 1 d .
C17 C 0.2849(10) -0.3739(5) 0.6483(6) 0.095(3) Uani 1 1 d .
H17A H 0.3108 -0.4130 0.6724 0.114 Uiso 1 1 calc R
O18 O 0.0150(3) 0.13292(19) 0.80404(16) 0.0235(6) Uani 1 1 d .
C18 C 0.3553(7) -0.2830(4) 0.6778(4) 0.0605(18) Uani 1 1 d .
H18A H 0.4305 -0.2614 0.7205 0.073 Uiso 1 1 calc R
O19 O 0.3310(3) 0.45682(19) 0.91184(16) 0.0256(7) Uani 1 1 d .
C19 C 0.0874(6) -0.1656(4) 1.0403(3) 0.0461(14) Uani 1 1 d .
H19A H 0.1352 -0.1364 1.0909 0.055 Uiso 1 1 calc R
O20 O 0.4211(3) 0.45670(19) 0.74232(16) 0.0229(6) Uani 1 1 d .
C20 C -0.0075(5) -0.2657(4) 0.9394(3) 0.0430(13) Uani 1 1 d .
H20A H -0.0413 -0.3198 0.9030 0.052 Uiso 1 1 calc R
O21 O 0.2368(3) 0.2169(2) 0.91369(16) 0.0248(7) Uani 1 1 d .
C21 C -0.0934(6) -0.1779(4) 0.8570(3) 0.0444(13) Uani 1 1 d .
H21A H -0.1323 -0.2328 0.8168 0.053 Uiso 1 1 calc R
H21B H -0.0350 -0.1316 0.8433 0.053 Uiso 1 1 calc R
O22 O -0.1324(3) 0.1490(2) 0.67046(16) 0.0253(7) Uani 1 1 d .
C22 C -0.1976(5) -0.1509(4) 0.8665(3) 0.0417(13) Uani 1 1 d .
O23 O 0.0819(3) 0.16394(19) 0.56027(16) 0.0242(6) Uani 1 1 d .
C23 C -0.2156(6) -0.0811(4) 0.8402(4) 0.0541(16) Uani 1 1 d .
H23A H -0.1642 -0.0512 0.8161 0.065 Uiso 1 1 calc R
O24 O 0.4849(3) 0.1730(2) 0.74989(17) 0.0251(7) Uani 1 1 d .
C24 C -0.3115(6) -0.0561(5) 0.8501(5) 0.072(2) Uani 1 1 d .
H24A H -0.3223 -0.0081 0.8336 0.087 Uiso 1 1 calc R
O25 O 0.5469(3) 0.46860(19) 0.89086(16) 0.0252(7) Uani 1 1 d .
C25 C -0.3889(7) -0.1000(5) 0.8833(5) 0.075(2) Uani 1 1 d .
H25A H -0.4534 -0.0828 0.8885 0.090 Uiso 1 1 calc R
O26 O -0.0344(3) 0.32328(19) 0.73505(17) 0.0243(7) Uani 1 1 d .
C26 C -0.3738(7) -0.1695(6) 0.9093(4) 0.072(2) Uani 1 1 d .
H26A H -0.4260 -0.1986 0.9333 0.087 Uiso 1 1 calc R
O27 O 0.2852(3) 0.01697(19) 0.73311(16) 0.0234(6) Uani 1 1 d .
C27 C -0.2792(6) -0.1965(5) 0.8996(4) 0.0613(18) Uani 1 1 d .
H27A H -0.2708 -0.2454 0.9155 0.074 Uiso 1 1 calc R
O28 O 0.2231(3) 0.1055(2) 0.48213(17) 0.0312(7) Uani 1 1 d .
C28 C 0.1191(6) -0.4927(4) 1.1546(4) 0.0547(17) Uani 1 1 d .
H28A H 0.2042 -0.4751 1.1579 0.066 Uiso 1 1 calc R
O29 O 0.2042(3) 0.0696(2) 0.61459(16) 0.0242(6) Uani 1 1 d .
C29 C -0.0686(6) -0.5007(3) 1.1271(3) 0.0416(13) Uani 1 1 d .
H29A H -0.1445 -0.4926 1.1078 0.050 Uiso 1 1 calc R
O30 O 0.1040(3) 0.30481(19) 0.85912(16) 0.0240(6) Uani 1 1 d .
C30 C -0.1447(7) -0.6127(4) 1.1970(4) 0.0570(17) Uani 1 1 d .
H30A H -0.2177 -0.5962 1.1890 0.068 Uiso 1 1 calc R
H30B H -0.1026 -0.6025 1.2506 0.068 Uiso 1 1 calc R
O31 O 0.3100(3) 0.08380(19) 0.87147(16) 0.0244(7) Uani 1 1 d .
C31 C -0.1937(5) -0.7106(3) 1.1586(3) 0.0349(12) Uani 1 1 d .
O32 O -0.0447(3) 0.2649(2) 0.59854(16) 0.0245(7) Uani 1 1 d .
C32 C -0.2746(6) -0.7470(4) 1.0844(3) 0.0531(16) Uani 1 1 d .
H32A H -0.2996 -0.7103 1.0567 0.064 Uiso 1 1 calc R
O33 O 0.5796(3) 0.34453(19) 0.81225(16) 0.0238(6) Uani 1 1 d .
C33 C -0.3194(7) -0.8372(5) 1.0502(4) 0.067(2) Uani 1 1 d .
H33A H -0.3716 -0.8604 0.9995 0.081 Uiso 1 1 calc R
O34 O 0.4288(3) 0.19489(19) 0.61608(16) 0.0236(6) Uani 1 1 d .
C34 C -0.2870(7) -0.8920(4) 1.0908(4) 0.0602(18) Uani 1 1 d .
H34A H -0.3191 -0.9530 1.0679 0.072 Uiso 1 1 calc R
O35 O 0.2168(3) 0.44206(19) 0.77086(16) 0.0230(6) Uani 1 1 d .
C35 C -0.2089(6) -0.8588(4) 1.1637(4) 0.0544(16) Uani 1 1 d .
H35A H -0.1865 -0.8967 1.1909 0.065 Uiso 1 1 calc R
O36 O 0.0765(3) 0.00170(19) 0.76220(16) 0.0230(6) Uani 1 1 d .
C36 C -0.1611(6) -0.7671(4) 1.1990(3) 0.0478(14) Uani 1 1 d .
H36A H -0.1076 -0.7443 1.2495 0.057 Uiso 1 1 calc R
O37 O -0.0062(3) 0.05856(19) 0.63615(16) 0.0234(6) Uani 1 1 d .
O38 O 0.1947(3) 0.37552(19) 0.63490(16) 0.0225(6) Uani 1 1 d .
O39 O 0.5186(3) 0.3706(2) 0.67090(16) 0.0241(7) Uani 1 1 d .
O40 O 0.2918(3) 0.28299(19) 0.55835(16) 0.0237(6) 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'
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
O4 P1 O3 109.63(15) . .
O4 P1 O1 109.21(15) . .
O3 P1 O1 109.63(16) . .
O4 P1 O2 109.34(15) . .
O3 P1 O2 109.72(15) . .
O1 P1 O2 109.29(15) . .
O7 Mo1 O21 103.74(15) . .
O7 Mo1 O31 101.77(15) . .
O21 Mo1 O31 96.72(14) . .
O7 Mo1 O36 97.98(14) . .
O21 Mo1 O36 156.43(12) . .
O31 Mo1 O36 87.59(13) . .
O7 Mo1 O18 101.05(15) . .
O21 Mo1 O18 85.05(13) . .
O31 Mo1 O18 155.97(12) . .
O36 Mo1 O18 81.88(12) . .
O7 Mo1 O4 169.80(14) . .
O21 Mo1 O4 86.27(11) . .
O31 Mo1 O4 74.69(10) . .
O36 Mo1 O4 72.49(10) . .
O18 Mo1 O4 81.54(10) . .
P1 O1 Mo3 125.30(14) . .
P1 O1 Mo11 126.15(14) . .
Mo3 O1 Mo11 89.62(9) . .
P1 O1 Mo10 125.86(15) . .
Mo3 O1 Mo10 89.41(8) . .
Mo11 O1 Mo10 88.83(8) . .
N4 Ag1 N1 170.46(17) . .
N2 C1 N1 111.4(6) . .
N2 C1 H1A 124.3 . .
N1 C1 H1A 124.3 . .
C1 N1 C2 102.8(5) . .
C1 N1 Ag1 124.1(4) . .
C2 N1 Ag1 131.2(4) . .
O14 Mo2 O38 102.13(14) . .
O14 Mo2 O40 102.42(14) . .
O38 Mo2 O40 96.42(13) . .
O14 Mo2 O39 100.79(14) . .
O38 Mo2 O39 155.27(12) . .
O40 Mo2 O39 87.62(13) . .
O14 Mo2 O20 100.81(14) . .
O38 Mo2 O20 84.86(12) . .
O40 Mo2 O20 155.91(12) . .
O39 Mo2 O20 81.82(12) . .
O14 Mo2 O2 172.38(13) . .
O38 Mo2 O2 85.25(11) . .
O40 Mo2 O2 74.56(11) . .
O39 Mo2 O2 72.27(10) . .
O20 Mo2 O2 81.59(10) . .
P1 O2 Mo2 125.90(15) . .
P1 O2 Mo7 125.33(14) . .
Mo2 O2 Mo7 89.23(8) . .
P1 O2 Mo4 126.17(14) . .
Mo2 O2 Mo4 88.77(8) . .
Mo7 O2 Mo4 89.72(9) . .
N3 Ag2 N3 179.999(2) 2_666 .
N3 Ag2 O14 93.52(13) 2_666 2_666
N3 Ag2 O14 86.48(13) . 2_666
N3 Ag2 O14 86.48(13) 2_666 .
N3 Ag2 O14 93.52(13) . .
O14 Ag2 O14 179.998(1) 2_666 .
N3 C2 N1 114.0(5) . .
N3 C2 H2A 123.0 . .
N1 C2 H2A 123.0 . .
C1 N2 N3 108.2(5) . .
C1 N2 C3 128.5(5) . .
N3 N2 C3 122.3(5) . .
O11 Mo3 O35 102.89(14) . .
O11 Mo3 O26 102.61(14) . .
O35 Mo3 O26 97.09(13) . .
O11 Mo3 O38 100.36(14) . .
O35 Mo3 O38 86.67(12) . .
O26 Mo3 O38 155.23(12) . .
O11 Mo3 O32 98.53(14) . .
O35 Mo3 O32 156.99(12) . .
O26 Mo3 O32 86.24(13) . .
O38 Mo3 O32 81.28(12) . .
O11 Mo3 O1 170.39(13) . .
O35 Mo3 O1 86.64(11) . .
O26 Mo3 O1 74.60(11) . .
O38 Mo3 O1 81.22(10) . .
O32 Mo3 O1 72.25(10) . .
P1 O3 Mo9 126.25(14) . .
P1 O3 Mo6 125.55(15) . .
Mo9 O3 Mo6 89.49(9) . .
P1 O3 Mo12 126.15(15) . .
Mo9 O3 Mo12 88.58(9) . .
Mo6 O3 Mo12 88.86(8) . .
N8 Ag3 N8 179.999(2) . 2_557
N8 Ag3 O7 88.94(13) . 2_557
N8 Ag3 O7 91.06(13) 2_557 2_557
N8 Ag3 O7 91.06(13) . .
N8 Ag3 O7 88.94(13) 2_557 .
O7 Ag3 O7 180.00(16) 2_557 .
N2 C3 C4 114.7(6) . .
N2 C3 H3A 108.6 . .
C4 C3 H3A 108.6 . .
N2 C3 H3B 108.6 . .
C4 C3 H3B 108.6 . .
H3A C3 H3B 107.6 . .
C2 N3 N2 103.6(4) . .
C2 N3 Ag2 135.4(4) . .
N2 N3 Ag2 117.9(4) . .
O28 Mo4 O29 104.59(15) . .
O28 Mo4 O34 101.71(14) . .
O29 Mo4 O34 96.26(13) . .
O28 Mo4 O23 102.78(14) . .
O29 Mo4 O23 85.47(12) . .
O34 Mo4 O23 154.16(13) . .
O28 Mo4 O40 99.11(14) . .
O29 Mo4 O40 154.92(13) . .
O34 Mo4 O40 86.75(12) . .
O23 Mo4 O40 81.37(12) . .
O28 Mo4 O2 168.99(13) . .
O29 Mo4 O2 85.81(11) . .
O34 Mo4 O2 73.13(11) . .
O23 Mo4 O2 81.32(10) . .
O40 Mo4 O2 71.20(10) . .
P1 O4 Mo1 126.31(15) . .
P1 O4 Mo5 125.61(14) . .
Mo1 O4 Mo5 89.45(9) . .
P1 O4 Mo8 125.41(14) . .
Mo1 O4 Mo8 88.96(8) . .
Mo5 O4 Mo8 89.41(9) . .
N7 Ag4 N10 167.36(19) . .
C9 C4 C5 117.1(7) . .
C9 C4 C3 125.0(6) . .
C5 C4 C3 117.8(7) . .
C11 N4 C10 103.6(4) . .
C11 N4 Ag1 124.2(3) . .
C10 N4 Ag1 131.9(4) . .
O8 Mo5 O37 105.19(15) . .
O8 Mo5 O36 102.46(14) . .
O37 Mo5 O36 97.65(13) . .
O8 Mo5 O29 101.20(14) . .
O37 Mo5 O29 85.70(13) . .
O36 Mo5 O29 154.29(13) . .
O8 Mo5 O27 99.24(14) . .
O37 Mo5 O27 153.93(12) . .
O36 Mo5 O27 85.68(12) . .
O29 Mo5 O27 80.71(12) . .
O8 Mo5 O4 169.05(13) . .
O37 Mo5 O4 85.51(11) . .
O36 Mo5 O4 73.34(11) . .
O29 Mo5 O4 81.57(11) . .
O27 Mo5 O4 70.60(10) . .
C6 C5 C4 120.1(7) . .
C6 C5 H5A 119.9 . .
C4 C5 H5A 119.9 . .
C10 N5 N6 102.8(4) . .
O9 Mo6 O30 102.16(15) . .
O9 Mo6 O19 104.16(15) . .
O30 Mo6 O19 97.08(13) . .
O9 Mo6 O21 100.74(14) . .
O30 Mo6 O21 85.08(13) . .
O19 Mo6 O21 153.91(13) . .
O9 Mo6 O17 100.82(15) . .
O30 Mo6 O17 154.94(13) . .
O19 Mo6 O17 86.81(13) . .
O21 Mo6 O17 80.96(12) . .
O9 Mo6 O3 172.07(13) . .
O30 Mo6 O3 85.74(11) . .
O19 Mo6 O3 73.87(11) . .
O21 Mo6 O3 80.40(10) . .
O17 Mo6 O3 71.52(10) . .
C5 C6 C7 120.9(6) . .
C5 C6 H6A 119.6 . .
C7 C6 H6A 119.6 . .
C11 N6 N5 109.8(4) . .
C11 N6 C12 128.4(5) . .
N5 N6 C12 121.4(5) . .
O10 Mo7 O33 103.81(15) . .
O10 Mo7 O39 101.74(14) . .
O33 Mo7 O39 97.08(13) . .
O10 Mo7 O24 101.55(14) . .
O33 Mo7 O24 86.51(12) . .
O39 Mo7 O24 154.82(12) . .
O10 Mo7 O34 98.93(14) . .
O33 Mo7 O34 155.81(12) . .
O39 Mo7 O34 86.15(12) . .
O24 Mo7 O34 80.93(12) . .
O10 Mo7 O2 169.38(13) . .
O33 Mo7 O2 86.47(11) . .
O39 Mo7 O2 73.92(11) . .
O24 Mo7 O2 81.48(11) . .
O34 Mo7 O2 71.34(10) . .
Mo1 O7 Ag3 162.8(2) . .
C8 C7 C6 121.5(8) . .
C8 C7 H7A 119.2 . .
C6 C7 H7A 119.2 . .
C20 N7 C19 102.9(5) . .
C20 N7 Ag4 126.0(4) . .
C19 N7 Ag4 129.2(4) . .
O5 Mo8 O24 103.53(15) . .
O5 Mo8 O27 103.09(15) . .
O24 Mo8 O27 96.02(13) . .
O5 Mo8 O31 100.14(14) . .
O24 Mo8 O31 154.59(13) . .
O27 Mo8 O31 87.42(13) . .
O5 Mo8 O15 101.57(15) . .
O24 Mo8 O15 85.11(13) . .
O27 Mo8 O15 154.30(12) . .
O31 Mo8 O15 81.22(12) . .
O5 Mo8 O4 170.46(13) . .
O24 Mo8 O4 85.73(11) . .
O27 Mo8 O4 73.27(11) . .
O31 Mo8 O4 71.12(10) . .
O15 Mo8 O4 81.24(11) . .
C7 C8 C9 118.5(8) . .
C7 C8 H8A 120.8 . .
C9 C8 H8A 120.8 . .
C19 N8 N9 103.1(4) . .
C19 N8 Ag3 135.3(4) . .
N9 N8 Ag3 118.9(3) . .
O16 Mo9 O25 104.32(15) . .
O16 Mo9 O20 102.98(14) . .
O25 Mo9 O20 98.10(13) . .
O16 Mo9 O35 100.47(14) . .
O25 Mo9 O35 153.77(12) . .
O20 Mo9 O35 84.43(12) . .
O16 Mo9 O19 99.78(14) . .
O25 Mo9 O19 87.28(13) . .
O20 Mo9 O19 154.45(12) . .
O35 Mo9 O19 80.15(12) . .
O16 Mo9 O3 170.93(13) . .
O25 Mo9 O3 74.18(11) . .
O20 Mo9 O3 86.09(11) . .
O35 Mo9 O3 79.99(10) . .
O19 Mo9 O3 71.30(10) . .
C8 C9 C4 121.9(6) . .
C8 C9 H9A 119.1 . .
C4 C9 H9A 119.1 . .
C20 N9 N8 108.4(4) . .
C20 N9 C21 129.8(5) . .
N8 N9 C21 121.7(4) . .
O6 Mo10 O23 104.53(15) . .
O6 Mo10 O32 102.19(14) . .
O23 Mo10 O32 97.84(13) . .
O6 Mo10 O37 102.81(14) . .
O23 Mo10 O37 85.01(12) . .
O32 Mo10 O37 153.24(12) . .
O6 Mo10 O22 98.80(14) . .
O23 Mo10 O22 154.88(12) . .
O32 Mo10 O22 86.08(13) . .
O37 Mo10 O22 80.81(12) . .
O6 Mo10 O1 169.01(13) . .
O23 Mo10 O1 86.20(11) . .
O32 Mo10 O1 73.46(11) . .
O37 Mo10 O1 80.22(10) . .
O22 Mo10 O1 71.07(10) . .
N5 C10 N4 114.3(5) . .
N5 C10 H10A 122.8 . .
N4 C10 H10A 122.8 . .
C29 N10 C28 102.9(5) . .
C29 N10 Ag4 123.8(4) . .
C28 N10 Ag4 132.5(4) . .
O13 Mo11 O22 103.59(15) . .
O13 Mo11 O18 103.08(14) . .
O22 Mo11 O18 97.71(13) . .
O13 Mo11 O26 100.27(14) . .
O22 Mo11 O26 87.26(13) . .
O18 Mo11 O26 154.20(12) . .
O13 Mo11 O30 100.50(14) . .
O22 Mo11 O30 154.62(12) . .
O18 Mo11 O30 84.43(12) . .
O26 Mo11 O30 80.66(12) . .
O13 Mo11 O1 171.31(13) . .
O22 Mo11 O1 74.53(11) . .
O18 Mo11 O1 85.60(11) . .
O26 Mo11 O1 71.28(10) . .
O30 Mo11 O1 80.46(10) . .
N4 C11 N6 109.5(5) . .
N4 C11 H11A 125.2 . .
N6 C11 H11A 125.2 . .
C28 N11 N12 102.5(5) . .
O12 Mo12 O15 103.47(15) . .
O12 Mo12 O17 104.89(15) . .
O15 Mo12 O17 97.75(13) . .
O12 Mo12 O25 99.35(14) . .
O15 Mo12 O25 154.23(12) . .
O17 Mo12 O25 87.72(13) . .
O12 Mo12 O33 99.69(14) . .
O15 Mo12 O33 84.20(12) . .
O17 Mo12 O33 154.10(12) . .
O25 Mo12 O33 80.28(12) . .
O12 Mo12 O3 170.50(13) . .
O15 Mo12 O3 85.99(11) . .
O17 Mo12 O3 74.22(11) . .
O25 Mo12 O3 71.22(10) . .
O33 Mo12 O3 80.19(10) . .
N6 C12 C13 115.3(5) . .
N6 C12 H12A 108.4 . .
C13 C12 H12A 108.4 . .
N6 C12 H12B 108.4 . .
C13 C12 H12B 108.4 . .
H12A C12 H12B 107.5 . .
C29 N12 N11 110.2(5) . .
C29 N12 C30 129.1(5) . .
N11 N12 C30 120.7(5) . .
C18 C13 C14 118.8(6) . .
C18 C13 C12 120.1(6) . .
C14 C13 C12 120.9(6) . .
Mo2 O14 Ag2 136.91(18) . .
C13 C14 C15 119.9(8) . .
C13 C14 H14A 120.0 . .
C15 C14 H14A 120.0 . .
Mo12 O15 Mo8 152.94(16) . .
C16 C15 C14 119.3(9) . .
C16 C15 H15A 120.4 . .
C14 C15 H15A 120.4 . .
C17 C16 C15 120.1(8) . .
C17 C16 H16A 119.9 . .
C15 C16 H16A 119.9 . .
Mo12 O17 Mo6 125.33(15) . .
C16 C17 C18 120.2(9) . .
C16 C17 H17A 119.9 . .
C18 C17 H17A 119.9 . .
Mo11 O18 Mo1 151.96(16) . .
C13 C18 C17 121.5(8) . .
C13 C18 H18A 119.3 . .
C17 C18 H18A 119.3 . .
Mo6 O19 Mo9 125.26(16) . .
N8 C19 N7 114.6(5) . .
N8 C19 H19A 122.7 . .
N7 C19 H19A 122.7 . .
Mo9 O20 Mo2 152.45(16) . .
N7 C20 N9 111.1(5) . .
N7 C20 H20A 124.5 . .
N9 C20 H20A 124.5 . .
Mo1 O21 Mo6 152.25(17) . .
N9 C21 C22 110.9(4) . .
N9 C21 H21A 109.5 . .
C22 C21 H21A 109.5 . .
N9 C21 H21B 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 108.0 . .
Mo11 O22 Mo10 125.53(15) . .
C23 C22 C27 119.0(6) . .
C23 C22 C21 119.8(5) . .
C27 C22 C21 121.2(5) . .
Mo10 O23 Mo4 152.07(17) . .
C22 C23 C24 119.2(6) . .
C22 C23 H23A 120.4 . .
C24 C23 H23A 120.4 . .
Mo8 O24 Mo7 151.03(18) . .
C25 C24 C23 121.2(7) . .
C25 C24 H24A 119.4 . .
C23 C24 H24A 119.4 . .
Mo9 O25 Mo12 125.93(15) . .
C24 C25 C26 120.7(7) . .
C24 C25 H25A 119.7 . .
C26 C25 H25A 119.7 . .
Mo3 O26 Mo11 124.44(15) . .
C25 C26 C27 119.4(7) . .
C25 C26 H26A 120.3 . .
C27 C26 H26A 120.3 . .
Mo8 O27 Mo5 126.66(15) . .
C22 C27 C26 120.4(7) . .
C22 C27 H27A 119.8 . .
C26 C27 H27A 119.8 . .
N11 C28 N10 114.9(5) . .
N11 C28 H28A 122.6 . .
N10 C28 H28A 122.6 . .
Mo4 O29 Mo5 151.04(18) . .
N12 C29 N10 109.6(5) . .
N12 C29 H29A 125.2 . .
N10 C29 H29A 125.2 . .
Mo6 O30 Mo11 151.94(17) . .
N12 C30 C31 112.6(5) . .
N12 C30 H30A 109.1 . .
C31 C30 H30A 109.1 . .
N12 C30 H30B 109.1 . .
C31 C30 H30B 109.1 . .
H30A C30 H30B 107.8 . .
Mo1 O31 Mo8 125.12(14) . .
C32 C31 C36 118.3(5) . .
C32 C31 C30 121.9(5) . .
C36 C31 C30 119.8(5) . .
Mo10 O32 Mo3 124.88(14) . .
C31 C32 C33 121.0(5) . .
C31 C32 H32A 119.5 . .
C33 C32 H32A 119.5 . .
Mo7 O33 Mo12 151.23(16) . .
C34 C33 C32 120.0(6) . .
C34 C33 H33A 120.0 . .
C32 C33 H33A 120.0 . .
Mo4 O34 Mo7 125.76(15) . .
C35 C34 C33 120.5(6) . .
C35 C34 H34A 119.7 . .
C33 C34 H34A 119.7 . .
Mo3 O35 Mo9 150.99(17) . .
C34 C35 C36 120.2(5) . .
C34 C35 H35A 119.9 . .
C36 C35 H35A 119.9 . .
Mo5 O36 Mo1 124.71(14) . .
C31 C36 C35 120.0(6) . .
C31 C36 H36A 120.0 . .
C35 C36 H36A 120.0 . .
Mo5 O37 Mo10 152.23(16) . .
Mo2 O38 Mo3 151.42(16) . .
Mo7 O39 Mo2 124.55(14) . .
Mo2 O40 Mo4 125.40(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O4 1.530(3) .
P1 O3 1.533(3) .
P1 O1 1.536(3) .
P1 O2 1.536(3) .
Mo1 O7 1.689(3) .
Mo1 O21 1.819(3) .
Mo1 O31 1.847(3) .
Mo1 O36 1.997(3) .
Mo1 O18 1.998(3) .
Mo1 O4 2.397(3) .
O1 Mo3 2.399(3) .
O1 Mo11 2.436(3) .
O1 Mo10 2.462(3) .
Ag1 N4 2.148(4) .
Ag1 N1 2.160(4) .
C1 N2 1.315(7) .
C1 N1 1.317(8) .
C1 H1A 0.9300 .
N1 C2 1.341(6) .
Mo2 O14 1.686(3) .
Mo2 O38 1.833(3) .
Mo2 O40 1.838(3) .
Mo2 O39 1.984(3) .
Mo2 O20 2.009(3) .
Mo2 O2 2.418(3) .
O2 Mo7 2.429(3) .
O2 Mo4 2.455(3) .
Ag2 N3 2.277(4) 2_666
Ag2 N3 2.277(4) .
Ag2 O14 2.527(3) 2_666
Ag2 O14 2.527(3) .
C2 N3 1.306(7) .
C2 H2A 0.9300 .
N2 N3 1.358(6) .
N2 C3 1.488(8) .
Mo3 O11 1.683(3) .
Mo3 O35 1.823(3) .
Mo3 O26 1.847(3) .
Mo3 O38 1.979(3) .
Mo3 O32 2.015(3) .
O3 Mo9 2.432(3) .
O3 Mo6 2.441(3) .
O3 Mo12 2.449(3) .
Ag3 N8 2.294(4) .
Ag3 N8 2.294(4) 2_557
Ag3 O7 2.415(3) 2_557
Ag3 O7 2.415(3) .
C3 C4 1.491(11) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
Mo4 O28 1.679(3) .
Mo4 O29 1.830(3) .
Mo4 O34 1.856(3) .
Mo4 O23 1.996(3) .
Mo4 O40 1.998(3) .
O4 Mo5 2.454(3) .
O4 Mo8 2.457(3) .
Ag4 N7 2.119(4) .
Ag4 N10 2.123(4) .
C4 C9 1.403(10) .
C4 C5 1.405(8) .
N4 C11 1.326(6) .
N4 C10 1.359(7) .
Mo5 O8 1.670(3) .
Mo5 O37 1.826(3) .
Mo5 O36 1.856(3) .
Mo5 O29 2.000(3) .
Mo5 O27 2.024(3) .
O5 Mo8 1.680(3) .
C5 C6 1.361(10) .
C5 H5A 0.9300 .
N5 C10 1.305(7) .
N5 N6 1.371(6) .
Mo6 O9 1.678(3) .
Mo6 O30 1.833(3) .
Mo6 O19 1.840(3) .
Mo6 O21 2.000(3) .
Mo6 O17 2.021(3) .
O6 Mo10 1.679(3) .
C6 C7 1.365(10) .
C6 H6A 0.9300 .
N6 C11 1.331(6) .
N6 C12 1.463(6) .
Mo7 O10 1.678(3) .
Mo7 O33 1.818(3) .
Mo7 O39 1.862(3) .
Mo7 O24 1.981(3) .
Mo7 O34 2.014(3) .
C7 C8 1.356(10) .
C7 H7A 0.9300 .
N7 C20 1.312(7) .
N7 C19 1.348(7) .
Mo8 O24 1.835(3) .
Mo8 O27 1.840(3) .
Mo8 O31 1.985(3) .
Mo8 O15 1.999(3) .
C8 C9 1.379(11) .
C8 H8A 0.9300 .
N8 C19 1.309(6) .
N8 N9 1.364(6) .
Mo9 O16 1.674(3) .
Mo9 O25 1.830(3) .
Mo9 O20 1.831(3) .
Mo9 O35 2.014(3) .
Mo9 O19 2.022(3) .
C9 H9A 0.9300 .
N9 C20 1.333(6) .
N9 C21 1.460(6) .
Mo10 O23 1.828(3) .
Mo10 O32 1.841(3) .
Mo10 O37 1.998(3) .
Mo10 O22 2.020(3) .
C10 H10A 0.9300 .
N10 C29 1.327(7) .
N10 C28 1.333(7) .
Mo11 O13 1.678(3) .
Mo11 O22 1.834(3) .
Mo11 O18 1.839(3) .
Mo11 O26 2.004(3) .
Mo11 O30 2.018(3) .
C11 H11A 0.9300 .
N11 C28 1.305(7) .
N11 N12 1.343(6) .
Mo12 O12 1.688(3) .
Mo12 O15 1.829(3) .
Mo12 O17 1.832(3) .
Mo12 O25 1.996(3) .
Mo12 O33 2.024(3) .
C12 C13 1.500(8) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
N12 C29 1.316(7) .
N12 C30 1.481(7) .
C13 C18 1.346(8) .
C13 C14 1.360(9) .
C14 C15 1.385(12) .
C14 H14A 0.9300 .
C15 C16 1.382(16) .
C15 H15A 0.9300 .
C16 C17 1.312(13) .
C16 H16A 0.9300 .
C17 C18 1.375(10) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 C22 1.504(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.382(8) .
C22 C27 1.389(8) .
C23 C24 1.393(9) .
C23 H23A 0.9300 .
C24 C25 1.348(10) .
C24 H24A 0.9300 .
C25 C26 1.364(10) .
C25 H25A 0.9300 .
C26 C27 1.394(9) .
C26 H26A 0.9300 .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 H29A 0.9300 .
C30 C31 1.506(7) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.375(8) .
C31 C36 1.381(7) .
C32 C33 1.382(9) .
C32 H32A 0.9300 .
C33 C34 1.360(9) .
C33 H33A 0.9300 .
C34 C35 1.345(9) .
C34 H34A 0.9300 .
C35 C36 1.405(8) .
C35 H35A 0.9300 .
C36 H36A 0.9300 .
