#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:13:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180495 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/64/7216484.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_7216484
loop_
_publ_author_name
'Zhou, Wei-Li'
'Liang, Jun'
'Qin, Chao'
'Shao, Kui-Zhan'
'Wang, Fang-Ming'
'Su, Zhong-Min'
_publ_section_title
;
 Syntheses, crystal structures and properties of inorganic--organic
 hybrids constructed from Keggin-type polyoxometalates and silver
 coordination compounds
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              7410
_journal_paper_doi               10.1039/C4CE00633J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C24 H22 Ag4 Mo12 N12 Na O42 P'
_chemical_formula_weight         2787.26
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 97.708(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   12.977(5)
_cell_length_b                   20.255(5)
_cell_length_c                   21.995(5)
_cell_measurement_reflns_used    28995
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.88
_cell_volume                     5729(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART Apex II CCD Detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28995
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    4.011
_exptl_absorpt_correction_T_max  0.4219
_exptl_absorpt_correction_T_min  0.3996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick (2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5216
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.920
_refine_diff_density_min         -1.761
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         10055
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0265
_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)+(0.0142P)²+20.5689P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0553
_reflns_number_gt                8342
_reflns_number_total             10055
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ce00633j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7216483--7216486.cif.'
_cod_database_code               7216484
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_group
Ag1 Ag 0.79942(4) 1.16791(2) 0.17938(3) 0.04654(14) Uani 1 1 d U .
Ag2 Ag 0.76756(4) 1.03626(2) 0.30519(2) 0.03018(11) Uani 1 1 d . .
Ag3 Ag 0.73623(4) 0.86135(2) 0.36894(2) 0.03552(12) Uani 1 1 d . .
Ag4 Ag 0.93569(4) 0.80665(2) 0.46380(2) 0.03572(12) Uani 1 1 d . .
P1 P 0.90330(10) 0.81896(6) 0.11880(6) 0.0145(3) Uani 1 1 d . .
Mo1 Mo 1.11366(4) 0.91227(2) 0.07364(2) 0.01993(10) Uani 1 1 d . .
Mo2 Mo 1.08914(4) 0.88443(2) 0.23775(2) 0.02448(11) Uani 1 1 d . .
Mo3 Mo 0.89983(4) 0.99169(2) 0.14417(2) 0.02289(11) Uani 1 1 d . .
Mo4 Mo 0.71892(4) 0.89471(2) 0.20192(2) 0.02088(11) Uani 1 1 d . .
Mo5 Mo 0.70065(4) 0.92301(2) 0.04827(2) 0.02029(11) Uani 1 1 d . .
Mo6 Mo 0.71884(4) 0.74641(2) 0.00567(2) 0.02033(10) Uani 1 1 d . .
Mo7 Mo 0.89328(4) 0.64517(2) 0.09088(2) 0.02247(11) Uani 1 1 d . .
Mo8 Mo 0.69686(4) 0.71911(2) 0.15586(2) 0.02081(11) Uani 1 1 d . .
Mo9 Mo 0.91532(3) 0.86605(2) -0.03484(2) 0.01921(10) Uani 1 1 d . .
Mo10 Mo 1.08891(4) 0.75036(2) 0.02924(2) 0.02149(11) Uani 1 1 d . .
Mo11 Mo 1.10707(4) 0.72173(2) 0.19689(2) 0.02289(11) Uani 1 1 d . .
Mo12 Mo 0.91256(4) 0.77310(2) 0.27514(2) 0.02111(11) Uani 1 1 d . .
C1 C 0.5387(4) 1.0581(2) 0.2290(3) 0.0256(13) Uani 1 1 d . .
C2 C 0.4936(5) 1.0823(3) 0.1717(3) 0.0315(14) Uani 1 1 d . .
C3 C 0.4781(5) 1.0267(3) 0.2686(3) 0.0343(15) Uani 1 1 d . .
H3A H 0.5071 1.0102 0.3066 0.041 Uiso 1 1 calc R .
C4 C 0.3743(5) 1.0214(3) 0.2484(3) 0.0419(17) Uani 1 1 d . .
H4A H 0.3312 1.0010 0.2733 0.050 Uiso 1 1 calc R .
C5 C 0.3311(5) 1.0462(3) 0.1909(3) 0.0490(19) Uani 1 1 d . .
H5A H 0.2599 1.0414 0.1793 0.059 Uiso 1 1 calc R .
C6 C 0.9797(4) 1.0026(3) 0.3946(3) 0.0297(13) Uani 1 1 d . .
C7 C 1.0175(5) 0.9508(3) 0.4326(3) 0.0290(13) Uani 1 1 d . .
C8 C 1.0397(5) 1.0589(3) 0.3884(3) 0.0492(19) Uani 1 1 d . .
H8A H 1.0147 1.0939 0.3634 0.059 Uiso 1 1 calc R .
C9 C 1.1363(5) 1.0598(3) 0.4210(4) 0.058(2) Uani 1 1 d . .
H9A H 1.1793 1.0958 0.4168 0.070 Uiso 1 1 calc R .
C10 C 1.1739(5) 1.0082(3) 0.4610(4) 0.0522(19) Uani 1 1 d . .
H10A H 1.2394 1.0119 0.4838 0.063 Uiso 1 1 calc R .
C11 C 1.1162(5) 0.9531(3) 0.4667(3) 0.0406(17) Uani 1 1 d . .
H11A H 1.1414 0.9185 0.4922 0.049 Uiso 1 1 calc R .
C12 C 0.9101(4) 0.7039(3) 0.5663(3) 0.0243(12) Uani 1 1 d . .
C13 C 0.9117(4) 0.6361(3) 0.5773(3) 0.0275(13) Uani 1 1 d . .
C14 C 0.8997(5) 0.7479(3) 0.6142(3) 0.0358(15) Uani 1 1 d . .
H14A H 0.8988 0.7933 0.6080 0.043 Uiso 1 1 calc R .
C15 C 0.8910(5) 0.7216(3) 0.6700(3) 0.0453(17) Uani 1 1 d . .
H15A H 0.8826 0.7498 0.7023 0.054 Uiso 1 1 calc R .
C16 C 0.8943(5) 0.6535(4) 0.6808(3) 0.0450(17) Uani 1 1 d . .
H16A H 0.8891 0.6379 0.7201 0.054 Uiso 1 1 calc R .
C17 C 0.9048(5) 0.6094(3) 0.6355(3) 0.0365(15) Uani 1 1 d . .
H17A H 0.9074 0.5642 0.6426 0.044 Uiso 1 1 calc R .
C18 C 0.3869(5) 1.0765(3) 0.1516(3) 0.0419(17) Uani 1 1 d . .
H18A H 0.3567 1.0925 0.1137 0.050 Uiso 1 1 calc R .
C19 C 0.4309(5) 0.7815(4) 0.3442(3) 0.0456(18) Uani 1 1 d . .
C20 C 0.4786(6) 0.8874(4) 0.3909(3) 0.059(2) Uani 1 1 d . .
H20A H 0.5281 0.9193 0.4042 0.071 Uiso 1 1 calc R .
C21 C 0.5055(5) 0.8287(3) 0.3641(3) 0.0408(16) Uani 1 1 d . .
C22 C 0.3763(8) 0.8960(5) 0.3968(4) 0.077(3) Uani 1 1 d . .
H22A H 0.3554 0.9344 0.4148 0.092 Uiso 1 1 calc R .
C23 C 0.3033(7) 0.8490(6) 0.3766(4) 0.079(3) Uani 1 1 d . .
H23A H 0.2345 0.8574 0.3816 0.094 Uiso 1 1 calc R .
C24 C 0.3248(6) 0.7912(5) 0.3500(3) 0.067(3) Uani 1 1 d . .
H24A H 0.2737 0.7603 0.3366 0.080 Uiso 1 1 calc R .
N1 N 0.6627(4) 1.1031(2) 0.1856(2) 0.0317(12) Uani 1 1 d . .
N2 N 0.6423(4) 1.0723(2) 0.2356(2) 0.0246(10) Uani 1 1 d . .
N3 N 0.8819(4) 0.9859(2) 0.3689(2) 0.0301(11) Uani 1 1 d . .
N4 N 0.8617(4) 0.9264(2) 0.3909(2) 0.0302(11) Uani 1 1 d . .
N5 N 0.9189(4) 0.7135(2) 0.5065(2) 0.0309(11) Uani 1 1 d . .
N6 N 0.9245(5) 0.6563(2) 0.4795(2) 0.0450(15) Uani 1 1 d . .
N7 N 0.9429(4) 0.9034(2) 0.4293(2) 0.0308(12) Uani 1 1 d . .
N8 N 0.9198(4) 0.6098(2) 0.5220(2) 0.0406(14) Uani 1 1 d . .
H8B H 0.9218 0.5681 0.5149 0.049 Uiso 1 1 calc R .
N9 N 0.5742(4) 1.1089(2) 0.1477(2) 0.0343(12) Uani 1 1 d . .
H9B H 0.5691 1.1273 0.1122 0.041 Uiso 1 1 calc R .
N10 N 0.5991(4) 0.8045(3) 0.3533(2) 0.0335(12) Uani 1 1 d . .
N11 N 0.5845(4) 0.7462(3) 0.3280(2) 0.0385(13) Uani 1 1 d . .
N12 N 0.4838(4) 0.7311(3) 0.3216(2) 0.0457(15) Uani 1 1 d . .
O1 O 0.6273(3) 0.72960(19) -0.05391(17) 0.0308(9) Uani 1 1 d . .
O2 O 0.9236(3) 1.07134(17) 0.16446(19) 0.0329(10) Uani 1 1 d . .
O3 O 0.9138(3) 0.56510(18) 0.07752(18) 0.0339(10) Uani 1 1 d . .
O4 O 0.9913(3) 0.66572(16) 0.15603(16) 0.0239(8) Uani 1 1 d . .
O5 O 0.7815(3) 0.64148(17) 0.13538(16) 0.0247(8) Uani 1 1 d . .
O6 O 0.7884(3) 0.66724(17) 0.01884(16) 0.0241(8) Uani 1 1 d . .
O7 O 0.9882(3) 0.68963(17) 0.04011(16) 0.0250(8) Uani 1 1 d . .
O8 O 1.1789(3) 0.70596(19) -0.00071(18) 0.0306(9) Uani 1 1 d . .
O9 O 1.1324(3) 0.73980(17) 0.11893(16) 0.0236(8) Uani 1 1 d . .
O10 O 1.0187(3) 0.79217(17) -0.03802(16) 0.0229(8) Uani 1 1 d . .
O11 O 1.1671(3) 0.83519(17) 0.04635(17) 0.0233(8) Uani 1 1 d . .
O12 O 0.8327(3) 0.75980(15) 0.10111(15) 0.0163(7) Uani 1 1 d . .
O13 O 0.8892(3) 0.88336(19) -0.11002(16) 0.0290(9) Uani 1 1 d . .
O14 O 0.9733(3) 0.83099(16) 0.06912(14) 0.0161(7) Uani 1 1 d . .
O15 O 0.8166(3) 0.91277(16) -0.00119(16) 0.0221(8) Uani 1 1 d . .
O16 O 0.9985(3) 0.97067(16) 0.09716(16) 0.0220(8) Uani 1 1 d . .
O17 O 1.1356(3) 0.89440(17) 0.15594(16) 0.0224(8) Uani 1 1 d . .
O18 O 0.8360(3) 0.88004(15) 0.12554(15) 0.0172(7) Uani 1 1 d . .
O19 O 0.9708(3) 0.80505(16) 0.18013(15) 0.0176(8) Uani 1 1 d . .
O20 O 1.1623(3) 0.79798(17) 0.23366(16) 0.0258(9) Uani 1 1 d . .
O21 O 0.9903(3) 0.94660(17) 0.21118(16) 0.0257(9) Uani 1 1 d . .
O22 O 0.7880(3) 0.99818(16) 0.08288(16) 0.0245(8) Uani 1 1 d . .
O23 O 0.8187(3) 0.78959(17) -0.02894(16) 0.0222(8) Uani 1 1 d . .
O24 O 0.6400(3) 0.71927(17) 0.07482(16) 0.0225(8) Uani 1 1 d . .
O25 O 0.8122(3) 0.72684(16) 0.22589(16) 0.0224(8) Uani 1 1 d . .
O26 O 0.6709(3) 0.80585(17) 0.17161(16) 0.0235(8) Uani 1 1 d . .
O27 O 0.6446(3) 0.92303(17) 0.12062(16) 0.0230(8) Uani 1 1 d . .
O28 O 0.7937(3) 0.97211(16) 0.20058(16) 0.0244(8) Uani 1 1 d . .
O29 O 0.8169(3) 0.84983(17) 0.25413(16) 0.0237(8) Uani 1 1 d . .
O30 O 0.6309(3) 0.91411(18) 0.24853(18) 0.0309(9) Uani 1 1 d . .
O31 O 0.8834(3) 0.75607(18) 0.34613(16) 0.0299(9) Uani 1 1 d . .
O32 O 1.0195(3) 0.71703(17) 0.26621(16) 0.0256(9) Uani 1 1 d . .
O33 O 0.6729(3) 0.83660(17) 0.02868(16) 0.0222(8) Uani 1 1 d . .
O34 O 0.6111(3) 0.67650(18) 0.19200(17) 0.0312(9) Uani 1 1 d . .
O35 O 1.1792(3) 0.92868(19) 0.28175(18) 0.0359(10) Uani 1 1 d . .
O36 O 1.0159(3) 0.84435(17) 0.29443(16) 0.0247(9) Uani 1 1 d . .
O37 O 1.1976(3) 0.66550(19) 0.22134(19) 0.0353(10) Uani 1 1 d . .
O38 O 0.6118(3) 0.96564(18) 0.00053(17) 0.0284(9) Uani 1 1 d . .
O39 O 1.0275(3) 0.91863(16) -0.00835(16) 0.0222(8) Uani 1 1 d . .
O40 O 1.2065(3) 0.96683(18) 0.06483(17) 0.0282(9) Uani 1 1 d . .
O1W O 0.7675(5) 1.1363(3) 0.0715(3) 0.0809(11) Uani 1 1 d U .
Na1A Na 0.4222(4) 0.6479(2) 0.2790(3) 0.0437(13) Uani 0.55 1 d PU 1
Na1B Na 0.4040(5) 0.6208(4) 0.2508(3) 0.0502(18) Uani 0.45 1 d PU 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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
N11 Ag1 N1 170.12(19) 2_655 .
N11 Ag1 O1W 98.3(2) 2_655 .
N1 Ag1 O1W 82.66(19) . .
N11 Ag1 O2 95.26(16) 2_655 .
N1 Ag1 O2 94.42(15) . .
O1W Ag1 O2 72.85(17) . .
N11 Ag1 Na1A 55.48(16) 2_655 2_655
N1 Ag1 Na1A 133.91(15) . 2_655
O1W Ag1 Na1A 104.44(17) . 2_655
O2 Ag1 Na1A 47.97(11) . 2_655
N3 Ag2 N2 171.13(17) . .
N4 Ag3 N10 172.57(19) . .
N4 Ag3 Ag4 62.98(12) . .
N10 Ag3 Ag4 119.62(14) . .
N7 Ag4 N5 173.40(19) . .
N7 Ag4 Ag3 61.84(13) . .
N5 Ag4 Ag3 117.34(13) . .
O12 P1 O18 109.15(19) . .
O12 P1 O14 109.65(19) . .
O18 P1 O14 109.91(19) . .
O12 P1 O19 109.43(19) . .
O18 P1 O19 109.20(19) . .
O14 P1 O19 109.5(2) . .
O40 Mo1 O17 103.14(17) . .
O40 Mo1 O11 102.41(17) . .
O17 Mo1 O11 98.01(16) . .
O40 Mo1 O39 100.28(16) . .
O17 Mo1 O39 154.28(15) . .
O11 Mo1 O39 87.12(15) . .
O40 Mo1 O16 102.24(17) . .
O17 Mo1 O16 83.41(15) . .
O11 Mo1 O16 154.27(15) . .
O39 Mo1 O16 81.37(14) . .
O40 Mo1 O14 171.06(15) . .
O17 Mo1 O14 85.61(13) . .
O11 Mo1 O14 74.17(13) . .
O39 Mo1 O14 71.51(12) . .
O16 Mo1 O14 80.36(13) . .
O35 Mo2 O21 102.72(18) . .
O35 Mo2 O36 103.10(18) . .
O21 Mo2 O36 96.62(17) . .
O35 Mo2 O17 101.34(18) . .
O21 Mo2 O17 85.74(15) . .
O36 Mo2 O17 154.25(15) . .
O35 Mo2 O20 101.32(18) . .
O21 Mo2 O20 154.41(15) . .
O36 Mo2 O20 86.33(16) . .
O17 Mo2 O20 81.05(14) . .
O35 Mo2 O19 171.46(16) . .
O21 Mo2 O19 85.59(14) . .
O36 Mo2 O19 73.66(13) . .
O17 Mo2 O19 81.00(13) . .
O20 Mo2 O19 70.80(13) . .
O2 Mo3 O16 104.99(18) . .
O2 Mo3 O22 102.83(17) . .
O16 Mo3 O22 98.45(16) . .
O2 Mo3 O21 100.07(17) . .
O16 Mo3 O21 85.53(15) . .
O22 Mo3 O21 154.82(15) . .
O2 Mo3 O28 98.09(17) . .
O16 Mo3 O28 154.82(14) . .
O22 Mo3 O28 85.90(16) . .
O21 Mo3 O28 80.61(15) . .
O2 Mo3 O18 168.68(16) . .
O16 Mo3 O18 86.29(14) . .
O22 Mo3 O18 74.11(13) . .
O21 Mo3 O18 81.40(13) . .
O28 Mo3 O18 70.98(12) . .
O30 Mo4 O29 101.81(18) . .
O30 Mo4 O28 102.29(17) . .
O29 Mo4 O28 96.24(16) . .
O30 Mo4 O26 102.00(17) . .
O29 Mo4 O26 85.49(15) . .
O28 Mo4 O26 154.74(15) . .
O30 Mo4 O27 101.12(17) . .
O29 Mo4 O27 155.84(15) . .
O28 Mo4 O27 86.20(15) . .
O26 Mo4 O27 82.41(14) . .
O30 Mo4 O18 171.73(15) . .
O29 Mo4 O18 85.80(14) . .
O28 Mo4 O18 73.38(13) . .
O26 Mo4 O18 81.65(13) . .
O27 Mo4 O18 71.82(13) . .
O38 Mo5 O33 104.27(17) . .
O38 Mo5 O27 102.82(17) . .
O33 Mo5 O27 96.66(16) . .
O38 Mo5 O15 102.57(16) . .
O33 Mo5 O15 84.86(15) . .
O27 Mo5 O15 153.33(15) . .
O38 Mo5 O22 98.82(16) . .
O33 Mo5 O22 155.29(15) . .
O27 Mo5 O22 86.56(15) . .
O15 Mo5 O22 81.62(15) . .
O38 Mo5 O18 170.04(15) . .
O33 Mo5 O18 85.60(13) . .
O27 Mo5 O18 74.21(13) . .
O15 Mo5 O18 79.39(13) . .
O22 Mo5 O18 71.67(12) . .
O1 Mo6 O23 103.91(17) . .
O1 Mo6 O6 103.07(17) . .
O23 Mo6 O6 97.05(16) . .
O1 Mo6 O33 100.26(17) . .
O23 Mo6 O33 85.42(15) . .
O6 Mo6 O33 155.16(15) . .
O1 Mo6 O24 98.96(17) . .
O23 Mo6 O24 155.51(14) . .
O6 Mo6 O24 86.09(15) . .
O33 Mo6 O24 81.97(14) . .
O1 Mo6 O12 170.50(16) . .
O23 Mo6 O12 85.55(13) . .
O6 Mo6 O12 74.43(13) . .
O33 Mo6 O12 81.16(12) . .
O24 Mo6 O12 71.85(13) . .
O3 Mo7 O4 104.31(17) . .
O3 Mo7 O5 101.95(18) . .
O4 Mo7 O5 96.10(16) . .
O3 Mo7 O7 102.43(18) . .
O4 Mo7 O7 85.34(16) . .
O5 Mo7 O7 154.41(15) . .
O3 Mo7 O6 100.66(17) . .
O4 Mo7 O6 153.90(14) . .
O5 Mo7 O6 85.98(16) . .
O7 Mo7 O6 81.98(15) . .
O3 Mo7 O12 170.11(16) . .
O4 Mo7 O12 84.92(13) . .
O5 Mo7 O12 73.10(13) . .
O7 Mo7 O12 81.62(13) . .
O6 Mo7 O12 70.76(12) . .
O34 Mo8 O26 104.58(18) . .
O34 Mo8 O24 104.70(17) . .
O26 Mo8 O24 96.99(16) . .
O34 Mo8 O25 98.60(17) . .
O26 Mo8 O25 85.25(15) . .
O24 Mo8 O25 155.15(15) . .
O34 Mo8 O5 96.93(17) . .
O26 Mo8 O5 156.35(15) . .
O24 Mo8 O5 86.80(15) . .
O25 Mo8 O5 81.86(14) . .
O34 Mo8 O12 169.23(16) . .
O26 Mo8 O12 86.09(14) . .
O24 Mo8 O12 74.91(13) . .
O25 Mo8 O12 80.58(13) . .
O5 Mo8 O12 72.31(13) . .
O13 Mo9 O15 103.34(17) . .
O13 Mo9 O39 103.78(17) . .
O15 Mo9 O39 98.07(16) . .
O13 Mo9 O23 100.33(16) . .
O15 Mo9 O23 84.02(15) . .
O39 Mo9 O23 154.56(14) . .
O13 Mo9 O10 99.67(16) . .
O15 Mo9 O10 154.68(15) . .
O39 Mo9 O10 86.46(15) . .
O23 Mo9 O10 81.60(14) . .
O13 Mo9 O14 171.53(15) . .
O15 Mo9 O14 85.12(13) . .
O39 Mo9 O14 74.75(13) . .
O23 Mo9 O14 80.20(12) . .
O10 Mo9 O14 71.99(12) . .
O8 Mo10 O7 103.73(18) . .
O8 Mo10 O10 103.11(17) . .
O7 Mo10 O10 97.43(16) . .
O8 Mo10 O9 102.25(17) . .
O7 Mo10 O9 84.90(15) . .
O10 Mo10 O9 153.17(15) . .
O8 Mo10 O11 99.90(17) . .
O7 Mo10 O11 154.41(15) . .
O10 Mo10 O11 86.54(15) . .
O9 Mo10 O11 80.61(14) . .
O8 Mo10 O14 170.77(16) . .
O7 Mo10 O14 85.38(14) . .
O10 Mo10 O14 73.77(13) . .
O9 Mo10 O14 79.82(13) . .
O11 Mo10 O14 71.42(13) . .
O37 Mo11 O9 103.36(19) . .
O37 Mo11 O20 102.39(18) . .
O9 Mo11 O20 97.80(16) . .
O37 Mo11 O4 102.21(17) . .
O9 Mo11 O4 84.87(15) . .
O20 Mo11 O4 153.90(15) . .
O37 Mo11 O32 99.63(18) . .
O9 Mo11 O32 155.19(15) . .
O20 Mo11 O32 86.18(16) . .
O4 Mo11 O32 81.24(15) . .
O37 Mo11 O19 169.95(17) . .
O9 Mo11 O19 86.42(14) . .
O20 Mo11 O19 73.59(14) . .
O4 Mo11 O19 80.71(13) . .
O32 Mo11 O19 71.15(13) . .
O31 Mo12 O32 103.90(17) . .
O31 Mo12 O25 102.24(17) . .
O32 Mo12 O25 96.22(16) . .
O31 Mo12 O36 100.37(16) . .
O32 Mo12 O36 88.48(16) . .
O25 Mo12 O36 155.02(15) . .
O31 Mo12 O29 99.37(17) . .
O32 Mo12 O29 156.15(15) . .
O25 Mo12 O29 83.78(15) . .
O36 Mo12 O29 82.21(15) . .
O31 Mo12 O19 173.19(15) . .
O32 Mo12 O19 75.02(13) . .
O25 Mo12 O19 84.57(13) . .
O36 Mo12 O19 72.95(13) . .
O29 Mo12 O19 81.25(13) . .
N2 C1 C3 131.1(5) . .
N2 C1 C2 108.0(5) . .
C3 C1 C2 121.0(6) . .
N9 C2 C1 103.9(5) . .
N9 C2 C18 134.1(6) . .
C1 C2 C18 122.1(6) . .
C4 C3 C1 116.4(6) . .
C4 C3 H3A 121.8 . .
C1 C3 H3A 121.8 . .
C3 C4 C5 121.5(7) . .
C3 C4 H4A 119.3 . .
C5 C4 H4A 119.3 . .
C18 C5 C4 123.8(6) . .
C18 C5 H5A 118.1 . .
C4 C5 H5A 118.1 . .
N3 C6 C7 107.3(5) . .
N3 C6 C8 131.5(5) . .
C7 C6 C8 121.2(5) . .
N7 C7 C6 108.1(5) . .
N7 C7 C11 130.5(5) . .
C6 C7 C11 121.5(6) . .
C9 C8 C6 116.6(6) . .
C9 C8 H8A 121.7 . .
C6 C8 H8A 121.7 . .
C8 C9 C10 122.4(7) . .
C8 C9 H9A 118.8 . .
C10 C9 H9A 118.8 . .
C11 C10 C9 121.1(6) . .
C11 C10 H10A 119.4 . .
C9 C10 H10A 119.4 . .
C10 C11 C7 117.1(6) . .
C10 C11 H11A 121.4 . .
C7 C11 H11A 121.4 . .
N5 C12 C13 108.0(5) . .
N5 C12 C14 132.2(5) . .
C13 C12 C14 119.8(5) . .
N8 C13 C12 103.5(5) . .
N8 C13 C17 134.1(6) . .
C12 C13 C17 122.4(6) . .
C15 C14 C12 117.3(6) . .
C15 C14 H14A 121.4 . .
C12 C14 H14A 121.4 . .
C14 C15 C16 122.5(6) . .
C14 C15 H15A 118.8 . .
C16 C15 H15A 118.8 . .
C17 C16 C15 121.8(6) . .
C17 C16 H16A 119.1 . .
C15 C16 H16A 119.1 . .
C16 C17 C13 116.2(6) . .
C16 C17 H17A 121.9 . .
C13 C17 H17A 121.9 . .
C5 C18 C2 115.3(6) . .
C5 C18 H18A 122.3 . .
C2 C18 H18A 122.3 . .
N12 C19 C21 105.5(6) . .
N12 C19 C24 133.0(8) . .
C21 C19 C24 121.5(8) . .
N12 C19 Na1A 32.1(3) . .
C21 C19 Na1A 137.5(5) . .
C24 C19 Na1A 101.0(6) . .
C22 C20 C21 116.8(9) . .
C22 C20 H20A 121.6 . .
C21 C20 H20A 121.6 . .
N10 C21 C19 107.3(6) . .
N10 C21 C20 131.5(7) . .
C19 C21 C20 121.2(7) . .
C20 C22 C23 121.4(9) . .
C20 C22 H22A 119.3 . .
C23 C22 H22A 119.3 . .
C24 C23 C22 124.4(9) . .
C24 C23 H23A 117.8 . .
C22 C23 H23A 117.8 . .
C23 C24 C19 114.8(9) . .
C23 C24 H24A 122.6 . .
C19 C24 H24A 122.6 . .
N2 N1 N9 108.1(5) . .
N2 N1 Ag1 125.4(4) . .
N9 N1 Ag1 122.5(4) . .
N1 N2 C1 108.4(5) . .
N1 N2 Ag2 121.6(4) . .
C1 N2 Ag2 129.0(4) . .
N4 N3 C6 106.8(4) . .
N4 N3 Ag2 120.7(4) . .
C6 N3 Ag2 132.4(4) . .
N3 N4 N7 111.4(4) . .
N3 N4 Ag3 131.7(4) . .
N7 N4 Ag3 116.5(3) . .
N6 N5 C12 109.4(5) . .
N6 N5 Ag4 124.6(4) . .
C12 N5 Ag4 125.7(4) . .
N5 N6 N8 107.3(5) . .
N4 N7 C7 106.4(4) . .
N4 N7 Ag4 118.7(4) . .
C7 N7 Ag4 134.7(4) . .
N6 N8 C13 111.7(5) . .
N6 N8 H8B 124.1 . .
C13 N8 H8B 124.1 . .
N1 N9 C2 111.7(5) . .
N1 N9 H9B 124.2 . .
C2 N9 H9B 124.2 . .
N11 N10 C21 108.6(5) . .
N11 N10 Ag3 129.3(4) . .
C21 N10 Ag3 121.9(4) . .
N10 N11 N12 109.6(5) . .
N10 N11 Ag1 128.2(4) . 2_645
N12 N11 Ag1 119.8(4) . 2_645
N10 N11 Na1A 143.9(4) . .
N12 N11 Na1A 34.4(3) . .
Ag1 N11 Na1A 87.1(2) 2_645 .
N11 N12 C19 108.9(6) . .
N11 N12 Na1A 123.9(5) . .
C19 N12 Na1A 127.1(5) . .
N11 N12 Na1B 121.3(5) . .
C19 N12 Na1B 128.8(4) . .
Na1A N12 Na1B 6.0(2) . .
Mo3 O2 Ag1 131.4(2) . .
Mo3 O2 Na1A 140.1(2) . 2_655
Ag1 O2 Na1A 86.74(15) . 2_655
Mo3 O2 Na1B 126.7(2) . 2_655
Ag1 O2 Na1B 95.61(19) . 2_655
Na1A O2 Na1B 16.77(13) 2_655 2_655
Mo7 O4 Mo11 151.9(2) . .
Mo7 O5 Mo8 125.28(18) . .
Mo6 O6 Mo7 125.93(18) . .
Mo10 O7 Mo7 152.2(2) . .
Mo11 O9 Mo10 152.9(2) . .
Mo10 O10 Mo9 125.05(18) . .
Mo1 O11 Mo10 125.79(18) . .
P1 O12 Mo8 126.54(19) . .
P1 O12 Mo6 125.88(18) . .
Mo8 O12 Mo6 89.59(11) . .
P1 O12 Mo7 124.95(18) . .
Mo8 O12 Mo7 89.26(10) . .
Mo6 O12 Mo7 88.88(10) . .
Mo9 O13 Na1A 146.4(2) . 4_675
P1 O14 Mo9 125.67(18) . .
P1 O14 Mo1 125.98(18) . .
Mo9 O14 Mo1 88.64(11) . .
P1 O14 Mo10 126.72(18) . .
Mo9 O14 Mo10 89.14(11) . .
Mo1 O14 Mo10 88.55(11) . .
Mo9 O15 Mo5 154.35(19) . .
Mo3 O16 Mo1 152.8(2) . .
Mo1 O17 Mo2 153.1(2) . .
P1 O18 Mo3 125.69(19) . .
P1 O18 Mo4 125.63(18) . .
Mo3 O18 Mo4 90.01(11) . .
P1 O18 Mo5 126.00(18) . .
Mo3 O18 Mo5 89.00(11) . .
Mo4 O18 Mo5 88.81(11) . .
P1 O19 Mo12 127.24(19) . .
P1 O19 Mo11 125.31(19) . .
Mo12 O19 Mo11 89.34(11) . .
P1 O19 Mo2 125.31(18) . .
Mo12 O19 Mo2 88.60(11) . .
Mo11 O19 Mo2 89.11(11) . .
Mo11 O20 Mo2 126.49(19) . .
Mo2 O21 Mo3 150.7(2) . .
Mo3 O22 Mo5 125.21(18) . .
Mo6 O23 Mo9 152.5(2) . .
Mo8 O24 Mo6 123.61(18) . .
Mo12 O25 Mo8 152.97(19) . .
Mo8 O26 Mo4 150.9(2) . .
Mo5 O27 Mo4 125.14(19) . .
Mo4 O28 Mo3 125.57(18) . .
Mo4 O29 Mo12 152.1(2) . .
Mo12 O32 Mo11 124.36(18) . .
Mo5 O33 Mo6 151.1(2) . .
Mo2 O36 Mo12 124.73(18) . .
Mo11 O37 Na1B 153.8(3) . 1_655
Mo9 O39 Mo1 125.06(18) . .
N12 Na1A O13 82.8(3) . 4_576
N12 Na1A O2 92.4(3) . 2_645
O13 Na1A O2 68.58(17) 4_576 2_645
N12 Na1A N11 21.7(2) . .
O13 Na1A N11 91.2(2) 4_576 .
O2 Na1A N11 76.93(19) 2_645 .
N12 Na1A C19 20.8(2) . .
O13 Na1A C19 77.1(2) 4_576 .
O2 Na1A C19 108.3(2) 2_645 .
N11 Na1A C19 42.44(18) . .
N12 Na1A Ag1 58.4(2) . 2_645
O13 Na1A Ag1 94.24(18) 4_576 2_645
O2 Na1A Ag1 45.29(12) 2_645 2_645
N11 Na1A Ag1 37.43(12) . 2_645
C19 Na1A Ag1 79.03(18) . 2_645
O37 Na1B N12 98.0(3) 1_455 .
O37 Na1B O2 152.7(3) 1_455 2_645
N12 Na1B O2 74.1(2) . 2_645
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N11 2.208(5) 2_655
Ag1 N1 2.226(5) .
Ag1 O1W 2.439(6) .
Ag1 O2 2.583(4) .
Ag1 Na1A 3.628(6) 2_655
Ag2 N3 2.155(4) .
Ag2 N2 2.203(5) .
Ag3 N4 2.100(5) .
Ag3 N10 2.110(5) .
Ag3 Ag4 3.2911(10) .
Ag4 N7 2.108(5) .
Ag4 N5 2.132(5) .
P1 O12 1.527(3) .
P1 O18 1.533(3) .
P1 O14 1.531(4) .
P1 O19 1.533(3) .
Mo1 O40 1.665(4) .
Mo1 O17 1.830(3) .
Mo1 O11 1.841(4) .
Mo1 O39 1.994(3) .
Mo1 O16 2.027(4) .
Mo1 O14 2.448(3) .
Mo2 O35 1.674(4) .
Mo2 O21 1.836(4) .
Mo2 O36 1.853(4) .
Mo2 O17 1.983(4) .
Mo2 O20 1.999(4) .
Mo2 O19 2.455(3) .
Mo3 O2 1.691(4) .
Mo3 O16 1.801(4) .
Mo3 O22 1.848(4) .
Mo3 O21 1.980(4) .
Mo3 O28 2.013(4) .
Mo3 O18 2.424(3) .
Mo4 O30 1.680(4) .
Mo4 O29 1.836(4) .
Mo4 O28 1.846(4) .
Mo4 O26 1.990(3) .
Mo4 O27 1.999(3) .
Mo4 O18 2.430(3) .
Mo5 O38 1.689(3) .
Mo5 O33 1.827(3) .
Mo5 O27 1.836(4) .
Mo5 O15 1.983(4) .
Mo5 O22 1.988(4) .
Mo5 O18 2.436(3) .
Mo6 O1 1.681(4) .
Mo6 O23 1.814(4) .
Mo6 O6 1.844(4) .
Mo6 O33 2.008(3) .
Mo6 O24 2.020(4) .
Mo6 O12 2.415(3) .
Mo7 O3 1.676(4) .
Mo7 O4 1.832(3) .
Mo7 O5 1.857(4) .
Mo7 O7 1.986(4) .
Mo7 O6 1.996(4) .
Mo7 O12 2.471(3) .
Mo8 O34 1.689(4) .
Mo8 O26 1.831(3) .
Mo8 O24 1.836(3) .
Mo8 O25 2.005(3) .
Mo8 O5 2.004(4) .
Mo8 O12 2.409(3) .
Mo9 O13 1.680(4) .
Mo9 O15 1.827(4) .
Mo9 O39 1.835(4) .
Mo9 O23 2.008(4) .
Mo9 O10 2.017(3) .
Mo9 O14 2.416(3) .
Mo10 O8 1.677(4) .
Mo10 O7 1.833(4) .
Mo10 O10 1.837(3) .
Mo10 O9 1.989(4) .
Mo10 O11 2.005(4) .
Mo10 O14 2.458(3) .
Mo11 O37 1.673(4) .
Mo11 O9 1.826(4) .
Mo11 O20 1.843(4) .
Mo11 O4 1.997(3) .
Mo11 O32 2.022(4) .
Mo11 O19 2.436(3) .
Mo12 O31 1.691(4) .
Mo12 O32 1.824(4) .
Mo12 O25 1.835(3) .
Mo12 O36 1.977(3) .
Mo12 O29 2.004(4) .
Mo12 O19 2.404(3) .
C1 N2 1.364(7) .
C1 C3 1.402(8) .
C1 C2 1.404(8) .
C2 N9 1.346(8) .
C2 C18 1.400(9) .
C3 C4 1.365(9) .
C3 H3A 0.9300 .
C4 C5 1.406(10) .
C4 H4A 0.9300 .
C5 C18 1.349(10) .
C5 H5A 0.9300 .
C6 N3 1.361(7) .
C6 C7 1.390(7) .
C6 C8 1.397(8) .
C7 N7 1.358(7) .
C7 C11 1.396(8) .
C8 C9 1.358(9) .
C8 H8A 0.9300 .
C9 C10 1.410(9) .
C9 H9A 0.9300 .
C10 C11 1.359(9) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 N5 1.349(7) .
C12 C13 1.395(7) .
C12 C14 1.400(8) .
C13 N8 1.345(7) .
C13 C17 1.402(8) .
C14 C15 1.357(9) .
C14 H14A 0.9300 .
C15 C16 1.399(9) .
C15 H15A 0.9300 .
C16 C17 1.358(9) .
C16 H16A 0.9300 .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 N12 1.360(9) .
C19 C21 1.388(9) .
C19 C24 1.414(10) .
C19 Na1A 3.057(10) .
C20 C22 1.362(11) .
C20 C21 1.394(10) .
C20 H20A 0.9300 .
C21 N10 1.360(8) .
C22 C23 1.373(13) .
C22 H22A 0.9300 .
C23 C24 1.355(13) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
N1 N2 1.322(6) .
N1 N9 1.331(7) .
N3 N4 1.338(6) .
N4 N7 1.342(6) .
N5 N6 1.308(7) .
N6 N8 1.334(7) .
N8 H8B 0.8600 .
N9 H9B 0.8600 .
N10 N11 1.306(7) .
N11 N12 1.332(7) .
N11 Ag1 2.208(5) 2_645
N11 Na1A 2.993(8) .
N12 Na1A 2.039(8) .
N12 Na1B 2.838(9) .
O2 Na1A 2.700(6) 2_655
O2 Na1B 2.892(8) 2_655
O13 Na1A 2.612(7) 4_675
O37 Na1B 2.819(8) 1_655
Na1A O13 2.612(7) 4_576
Na1A O2 2.700(6) 2_645
Na1A Ag1 3.628(6) 2_645
Na1B O37 2.819(8) 1_455
Na1B O2 2.892(8) 2_645
