#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:22:34 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186370 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/00/7040067.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_7040067
loop_
_publ_author_name
'Tian, Aixiang'
'Tian, Yan'
'Ning, Yali'
'Hou, Xue'
'Ni, Huaiping'
'Ji, Xuebin'
'Liu, Guocheng'
'Ying, Jun'
_publ_section_title
;
 A series of Keggin-based compounds constructed by conjugate ring-rich
 pyrazine and quinoxaline derivatives.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13925
_journal_page_last               13936
_journal_paper_doi               10.1039/c6dt02233b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C32 H28 Ag3 Mo12 N4 O42 P'
_chemical_formula_sum            'C32 H28 Ag3 Mo12 N4 O42 P'
_chemical_formula_weight         2646.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2016-07-05
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-07-12 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;
_cell_angle_alpha                102.717(6)
_cell_angle_beta                 98.844(7)
_cell_angle_gamma                109.533(7)
_cell_formula_units_Z            1
_cell_length_a                   11.299(4)
_cell_length_b                   11.385(5)
_cell_length_c                   13.084(5)
_cell_measurement_reflns_used    2143
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.18
_cell_volume                     1499.3(10)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0980
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9460
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.321
_diffrn_reflns_theta_min         1.974
_exptl_absorpt_coefficient_mu    3.503
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.931
_exptl_crystal_description       block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.553
_refine_diff_density_min         -1.506
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         6686
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1096
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0797P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.1680
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4159
_reflns_number_total             6686
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt02233b2.cif
_cod_data_source_block           compound-1
_cod_depositor_comments
'Adding full bibliography for 7040067--7040071.cif.'
_cod_database_code               7040067
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.622
_shelx_estimated_absorpt_t_min   0.527
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O1WA)=Sof(H1WC)=Sof(H1WD)=1-FVAR(1)
 Sof(O1W)=Sof(H1WA)=Sof(H1WB)=FVAR(1)
 Fixed Sof: O1'(0.5) O1(0.5) O2'(0.5) O2(0.5)
4.a Riding coordinates:
 O1WA(H1WC,H1WD)
4.b Rotating group:
 O1W(H1WA,H1WB)
4.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.5000 0.5000 -1.0000 0.0242(7) Uani 1 2 d S T P . .
Mo1 Mo 0.22395(10) 0.22947(10) -1.17889(7) 0.0393(3) Uani 1 1 d . . . . .
Mo2 Mo 0.20752(10) 0.38975(10) -0.91460(7) 0.0388(3) Uani 1 1 d . . . . .
Mo3 Mo 0.60186(10) 0.80761(9) -1.05852(7) 0.0364(2) Uani 1 1 d . . . . .
Mo4 Mo 0.53043(9) 0.31399(9) -1.24914(7) 0.0349(2) Uani 1 1 d . . . . .
Mo5 Mo 0.35280(9) 0.52441(9) -1.25394(7) 0.0324(2) Uani 1 1 d . . . . .
Mo6 Mo 0.28995(9) 0.67537(9) -1.00653(7) 0.0311(2) Uani 1 1 d . . . . .
O1' O 0.5645(12) 0.5684(12) -0.8807(9) 0.024(3) Uani 0.5 1 d . . . . .
O1 O 0.3758(12) 0.3733(11) -1.0065(10) 0.025(3) Uani 0.5 1 d . . . . .
O2' O 0.4500(13) 0.5835(14) -1.0553(10) 0.030(3) Uani 0.5 1 d . . . . .
O2 O 0.5905(13) 0.4500(12) -1.0572(9) 0.025(3) Uani 0.5 1 d . . . . .
O3 O 0.7050(12) 0.8507(13) -0.9227(7) 0.100(5) Uani 1 1 d . . . . .
O4 O 0.1971(8) 0.7645(8) -1.0053(7) 0.059(2) Uani 1 1 d . . . . .
O5 O 0.0997(8) 0.0993(8) -1.2611(7) 0.050(2) Uani 1 1 d . . . . .
O6 O 0.7229(12) 0.7299(13) -1.1106(6) 0.095(5) Uani 1 1 d . . . . .
O7 O 0.1505(12) 0.2864(11) -1.0711(7) 0.083(3) Uani 1 1 d . U . . .
O8 O 0.6866(9) 0.4769(9) -1.2071(7) 0.073(3) Uani 1 1 d . . . . .
O9 O 0.4541(9) 0.8040(9) -1.0151(7) 0.068(3) Uani 1 1 d . . . . .
O10 O 0.2746(9) 0.5346(10) -1.3690(6) 0.063(3) Uani 1 1 d . . . . .
O11 O 0.3839(9) 0.7387(9) -0.8507(7) 0.071(3) Uani 1 1 d . . . . .
O12 O 0.3699(9) 0.2142(8) -1.2430(9) 0.069(3) Uani 1 1 d . . . . .
O13 O 0.0655(8) 0.3380(8) -0.8808(7) 0.053(2) Uani 1 1 d . . . . .
O14 O 0.1872(9) 0.5279(8) -0.9783(6) 0.066(3) Uani 1 1 d . . . . .
O15 O 0.6529(9) 0.9461(7) -1.0939(6) 0.049(2) Uani 1 1 d . . . . .
O16 O 0.4503(9) 0.4316(8) -1.2960(10) 0.073(3) Uani 1 1 d . . . . .
O17 O 0.5491(11) 0.2354(9) -1.3644(6) 0.065(3) Uani 1 1 d . . . . .
O18 O 0.2275(9) 0.3592(9) -1.2428(10) 0.073(3) Uani 1 1 d . . . . .
O19 O 0.4892(9) 0.6843(8) -1.2007(7) 0.063(3) Uani 1 1 d . . . . .
O20 O 0.2633(9) 0.5970(8) -1.1513(7) 0.063(3) Uani 1 1 d . . . . .
Ag1 Ag 0.13532(14) 0.89534(13) -0.86076(9) 0.0762(4) Uani 1 1 d . . . . .
Ag2 Ag 0.0000 0.5000 -0.5000 0.0704(5) Uani 1 2 d S T P . .
C1 C 0.0234(13) 0.5618(13) -0.7137(9) 0.048(3) Uani 1 1 d . . . . .
H1 H -0.0259 0.4730 -0.7414 0.057 Uiso 1 1 calc R . . . .
C2 C 0.0561(11) 0.6359(12) -0.7835(9) 0.042(3) Uani 1 1 d . . . . .
H2 H 0.0330 0.5945 -0.8574 0.050 Uiso 1 1 calc R . . . .
C3 C 0.1294(11) 0.7475(11) -0.5674(8) 0.036(3) Uani 1 1 d . . . . .
C4 C 0.1572(11) 0.8252(11) -0.6384(8) 0.036(2) Uani 1 1 d . . . . .
C5 C 0.2191(11) 0.9699(11) -0.6044(8) 0.039(3) Uani 1 1 d . . . . .
C6 C 0.1747(11) 1.0436(11) -0.5311(9) 0.043(3) Uani 1 1 d . . . . .
H6 H 0.1127 1.0028 -0.4976 0.052 Uiso 1 1 calc R . . . .
C7 C 0.2239(15) 1.1777(14) -0.5087(11) 0.066(4) Uani 1 1 d . . . . .
H7 H 0.1938 1.2259 -0.4597 0.079 Uiso 1 1 calc R . . . .
C8 C 0.3154(16) 1.2423(13) -0.5561(12) 0.072(5) Uani 1 1 d . . . . .
H8 H 0.3442 1.3323 -0.5425 0.087 Uiso 1 1 calc R . . . .
C9 C 0.3638(18) 1.1687(15) -0.6254(11) 0.078(5) Uani 1 1 d . . . . .
H9 H 0.4295 1.2105 -0.6553 0.093 Uiso 1 1 calc R . . . .
C10 C 0.3152(15) 1.0347(14) -0.6501(10) 0.067(4) Uani 1 1 d . . . . .
H10 H 0.3470 0.9870 -0.6979 0.081 Uiso 1 1 calc R . . . .
C11 C 0.1776(12) 0.8005(11) -0.4475(9) 0.040(3) Uani 1 1 d . . . . .
C12 C 0.0906(15) 0.7735(12) -0.3804(10) 0.053(3) Uani 1 1 d . . . . .
H12 H 0.0020 0.7294 -0.4104 0.064 Uiso 1 1 calc R . . . .
C13 C 0.1405(18) 0.8145(14) -0.2688(11) 0.066(4) Uani 1 1 d . . . . .
H13 H 0.0844 0.7986 -0.2239 0.079 Uiso 1 1 calc R . . . .
C14 C 0.271(2) 0.8777(14) -0.2244(11) 0.081(6) Uani 1 1 d . . . . .
H14 H 0.3022 0.8994 -0.1499 0.097 Uiso 1 1 calc R . . . .
C15 C 0.3559(18) 0.9096(15) -0.2866(11) 0.073(5) Uani 1 1 d . . . . .
H15 H 0.4436 0.9581 -0.2551 0.087 Uiso 1 1 calc R . . . .
C16 C 0.3068(15) 0.8667(14) -0.4017(11) 0.062(4) Uani 1 1 d . . . . .
H16 H 0.3639 0.8843 -0.4456 0.074 Uiso 1 1 calc R . . . .
N1 N 0.1211(10) 0.7672(10) -0.7472(7) 0.043(2) Uani 1 1 d . . . . .
N2 N 0.0620(9) 0.6172(9) -0.6071(7) 0.039(2) Uani 1 1 d . . . . .
O1W O 0.084(3) 1.080(3) -0.826(4) 0.098(14) Uani 0.51(4) 1 d . . . A 1
H1WA H 0.0308 1.0747 -0.7847 0.148 Uiso 0.51(4) 1 d GR . . A 1
H1WB H 0.0668 1.1181 -0.8741 0.148 Uiso 0.51(4) 1 d GR . . A 1
O1WA O 0.036(3) 1.008(3) -0.945(4) 0.12(2) Uani 0.49(4) 1 d . . . A -2
H1WC H -0.0211 1.0432 -0.9311 0.177 Uiso 0.49(4) 1 d R . . A -2
H1WD H 0.1006 1.0447 -0.9485 0.177 Uiso 0.49(4) 1 d R . . A -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'
Ag Ag -0.8971 1.1015 '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'
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'
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
O1' P1 O1' 180.0(10) . 2_663
O1' P1 O1 106.7(6) . .
O1' P1 O1 73.3(6) 2_663 .
O1' P1 O1 106.7(6) 2_663 2_663
O1' P1 O1 73.3(6) . 2_663
O1' P1 O2 69.1(7) . 2_663
O1' P1 O2 110.9(7) 2_663 2_663
O1' P1 O2 69.1(7) 2_663 .
O1' P1 O2 110.9(7) . .
O1 P1 O1 180.0 2_663 .
O2' P1 O1' 67.7(7) . 2_663
O2' P1 O1' 67.7(7) 2_663 .
O2' P1 O1' 112.3(7) 2_663 2_663
O2' P1 O1' 112.3(7) . .
O2' P1 O1 72.8(7) 2_663 .
O2' P1 O1 107.2(7) . .
O2' P1 O1 72.8(7) . 2_663
O2' P1 O1 107.2(7) 2_663 2_663
O2' P1 O2' 180.0(9) . 2_663
O2' P1 O2 112.6(6) 2_663 2_663
O2' P1 O2 67.4(6) . 2_663
O2' P1 O2 67.4(6) 2_663 .
O2' P1 O2 112.6(6) . .
O2 P1 O1 73.2(6) 2_663 .
O2 P1 O1 73.2(6) . 2_663
O2 P1 O1 106.8(6) 2_663 2_663
O2 P1 O1 106.8(6) . .
O2 P1 O2 180.0 2_663 .
O3 Mo1 O1 61.7(5) 2_663 .
O3 Mo1 O12 81.8(4) 2_663 .
O5 Mo1 O1 156.7(4) . .
O5 Mo1 O3 100.4(5) . 2_663
O5 Mo1 O7 102.0(5) . .
O5 Mo1 O12 101.2(4) . .
O5 Mo1 O18 103.8(5) . .
O7 Mo1 O1 64.0(4) . .
O7 Mo1 O3 85.6(4) . 2_663
O7 Mo1 O12 155.3(5) . .
O12 Mo1 O1 91.3(4) . .
O18 Mo1 O1 96.3(5) . .
O18 Mo1 O3 155.1(6) . 2_663
O18 Mo1 O7 95.2(5) . .
O18 Mo1 O12 87.6(4) . .
O6 Mo2 O1 64.1(5) 2_663 .
O6 Mo2 O7 87.1(4) 2_663 .
O6 Mo2 O14 155.9(5) 2_663 .
O7 Mo2 O1 62.6(4) . .
O8 Mo2 O1 97.5(5) 2_663 .
O8 Mo2 O6 95.8(5) 2_663 2_663
O8 Mo2 O7 156.3(5) 2_663 .
O8 Mo2 O14 86.7(4) 2_663 .
O13 Mo2 O1 156.9(4) . .
O13 Mo2 O6 102.8(5) . 2_663
O13 Mo2 O7 99.4(5) . .
O13 Mo2 O8 102.9(5) . 2_663
O13 Mo2 O14 99.9(4) . .
O14 Mo2 O1 91.9(4) . .
O14 Mo2 O7 81.5(4) . .
O3 Mo3 O1 63.0(5) . 2_663
O3 Mo3 O6 86.3(4) . .
O3 Mo3 O9 96.1(5) . .
O3 Mo3 O19 154.3(5) . .
O6 Mo3 O1 61.9(4) . 2_663
O6 Mo3 O19 79.5(4) . .
O9 Mo3 O1 96.8(4) . 2_663
O9 Mo3 O6 154.8(5) . .
O9 Mo3 O19 88.2(4) . .
O15 Mo3 O1 156.2(4) . 2_663
O15 Mo3 O3 103.6(6) . .
O15 Mo3 O6 99.2(5) . .
O15 Mo3 O9 104.5(4) . .
O15 Mo3 O19 99.7(4) . .
O19 Mo3 O1 91.3(4) . 2_663
O2 Mo4 O1' 40.5(4) . 2_663
O8 Mo4 O1' 88.0(5) . 2_663
O8 Mo4 O2 64.0(4) . .
O8 Mo4 O16 80.5(4) . .
O11 Mo4 O1' 95.8(5) 2_663 2_663
O11 Mo4 O2 63.7(5) 2_663 .
O11 Mo4 O8 87.3(4) 2_663 .
O11 Mo4 O16 154.1(5) 2_663 .
O12 Mo4 O1' 66.1(4) . 2_663
O12 Mo4 O2 93.8(5) . .
O12 Mo4 O8 154.1(5) . .
O12 Mo4 O11 94.8(4) . 2_663
O12 Mo4 O16 86.8(4) . .
O16 Mo4 O1' 61.2(4) . 2_663
O16 Mo4 O2 90.4(5) . .
O17 Mo4 O1' 160.0(5) . 2_663
O17 Mo4 O2 158.6(5) . .
O17 Mo4 O8 100.6(5) . .
O17 Mo4 O11 102.5(5) . 2_663
O17 Mo4 O12 104.1(5) . .
O17 Mo4 O16 102.1(5) . .
O1' Mo5 O2' 39.7(4) 2_663 .
O10 Mo5 O1' 160.7(5) . 2_663
O10 Mo5 O2' 158.1(5) . .
O10 Mo5 O16 104.7(5) . .
O10 Mo5 O18 100.8(5) . .
O10 Mo5 O19 102.8(5) . .
O10 Mo5 O20 99.6(4) . .
O16 Mo5 O1' 64.2(4) . 2_663
O16 Mo5 O2' 95.7(5) . .
O16 Mo5 O18 86.8(4) . .
O16 Mo5 O19 95.8(4) . .
O16 Mo5 O20 154.2(5) . .
O18 Mo5 O1' 64.2(4) . 2_663
O18 Mo5 O2' 88.1(5) . .
O18 Mo5 O20 80.3(4) . .
O19 Mo5 O1' 94.3(5) . 2_663
O19 Mo5 O2' 66.6(4) . .
O19 Mo5 O18 154.8(5) . .
O19 Mo5 O20 87.0(3) . .
O20 Mo5 O1' 90.0(4) . 2_663
O20 Mo5 O2' 61.8(4) . .
O2 Mo6 O2' 40.2(4) 2_663 .
O4 Mo6 O2' 160.0(4) . .
O4 Mo6 O2 159.0(4) . 2_663
O4 Mo6 O9 100.0(5) . .
O4 Mo6 O11 100.1(5) . .
O4 Mo6 O14 102.8(5) . .
O4 Mo6 O20 103.2(5) . .
O9 Mo6 O2' 65.2(4) . .
O9 Mo6 O2 89.7(4) . 2_663
O9 Mo6 O11 80.9(4) . .
O11 Mo6 O2' 91.1(5) . .
O11 Mo6 O2 62.8(4) . 2_663
O14 Mo6 O2' 94.2(5) . .
O14 Mo6 O2 66.1(4) . 2_663
O14 Mo6 O9 155.7(5) . .
O14 Mo6 O11 87.1(3) . .
O20 Mo6 O2' 64.3(4) . .
O20 Mo6 O2 95.8(4) . 2_663
O20 Mo6 O9 87.3(3) . .
O20 Mo6 O11 155.4(5) . .
O20 Mo6 O14 95.3(4) . .
P1 O1' Mo4 124.8(7) . 2_663
P1 O1' Mo5 127.1(7) . 2_663
P1 O1' O2' 55.9(6) . 2_663
P1 O1' O2 55.9(6) . 2_663
Mo5 O1' Mo4 92.8(4) 2_663 2_663
O2' O1' Mo4 141.1(7) 2_663 2_663
O2' O1' Mo5 71.4(6) 2_663 2_663
O2' O1' O2 95.6(9) 2_663 2_663
O2 O1' Mo4 69.0(5) 2_663 2_663
O2 O1' Mo5 133.0(7) 2_663 2_663
P1 O1 Mo1 122.1(6) . .
P1 O1 Mo2 122.0(6) . .
P1 O1 Mo3 122.1(7) . 2_663
Mo1 O1 Mo3 94.0(4) . 2_663
Mo2 O1 Mo1 94.8(4) . .
Mo2 O1 Mo3 94.4(4) . 2_663
P1 O2' Mo5 125.1(8) . .
P1 O2' Mo6 126.4(6) . .
P1 O2' O1' 56.4(6) . 2_663
P1 O2' O2 57.1(6) . 2_663
Mo6 O2' Mo5 93.0(4) . .
O1' O2' Mo5 68.8(6) 2_663 .
O1' O2' Mo6 132.5(8) 2_663 .
O1' O2' O2 96.3(8) 2_663 2_663
O2 O2' Mo5 140.0(8) 2_663 .
O2 O2' Mo6 69.4(6) 2_663 .
P1 O2 Mo4 125.2(7) . .
P1 O2 Mo6 125.8(6) . 2_663
P1 O2 O1' 54.9(6) . 2_663
P1 O2 O2' 55.5(6) . 2_663
Mo6 O2 Mo4 93.0(4) 2_663 .
O1' O2 Mo4 70.5(5) 2_663 .
O1' O2 Mo6 140.9(8) 2_663 2_663
O2' O2 Mo4 132.5(8) 2_663 .
O2' O2 Mo6 70.4(6) 2_663 2_663
O2' O2 O1' 94.5(8) 2_663 2_663
Mo3 O3 Mo1 141.1(7) . 2_663
Mo6 O4 Ag1 134.2(5) . .
Mo2 O6 Mo3 139.3(6) 2_663 .
Mo1 O7 Mo2 138.3(6) . .
Mo2 O8 Mo4 140.0(5) 2_663 .
Mo3 O9 Mo6 139.3(5) . .
Mo4 O11 Mo6 139.7(6) 2_663 .
Mo4 O12 Mo1 140.5(5) . .
Mo6 O14 Mo2 138.9(6) . .
Mo5 O16 Mo4 141.1(6) . .
Mo1 O18 Mo5 139.9(6) . .
Mo5 O19 Mo3 138.9(5) . .
Mo6 O20 Mo5 140.1(6) . .
N1 Ag1 O4 98.3(3) . .
N1 Ag1 O1W 122.7(9) . .
N1 Ag1 O1WA 145.6(8) . .
O1W Ag1 O4 138.9(9) . .
O1WA Ag1 O4 105.3(12) . .
N2 Ag2 N2 180.0 2_564 .
N2 C1 C2 120.4(12) . .
N1 C2 C1 122.0(10) . .
C4 C3 C11 123.2(10) . .
N2 C3 C4 120.5(9) . .
N2 C3 C11 116.2(9) . .
C3 C4 C5 125.1(9) . .
N1 C4 C3 119.5(10) . .
N1 C4 C5 115.3(9) . .
C6 C5 C4 120.0(9) . .
C10 C5 C4 121.2(10) . .
C10 C5 C6 118.7(11) . .
C7 C6 C5 119.4(12) . .
C8 C7 C6 122.5(14) . .
C7 C8 C9 117.9(13) . .
C10 C9 C8 120.7(14) . .
C9 C10 C5 120.8(14) . .
C12 C11 C3 120.2(11) . .
C16 C11 C3 120.0(10) . .
C16 C11 C12 119.6(12) . .
C13 C12 C11 118.7(14) . .
C14 C13 C12 120.9(13) . .
C15 C14 C13 121.6(13) . .
C14 C15 C16 118.3(16) . .
C11 C16 C15 120.8(14) . .
C2 N1 Ag1 122.0(7) . .
C2 N1 C4 118.0(9) . .
C4 N1 Ag1 118.8(8) . .
C1 N2 Ag2 119.4(8) . .
C1 N2 C3 119.5(9) . .
C3 N2 Ag2 120.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O1' 1.520(12) .
P1 O1' 1.520(12) 2_663
P1 O1 1.616(11) .
P1 O1 1.616(11) 2_663
P1 O2' 1.511(13) .
P1 O2' 1.511(13) 2_663
P1 O2 1.538(12) 2_663
P1 O2 1.538(12) .
Mo1 O1 2.454(12) .
Mo1 O3 1.986(10) 2_663
Mo1 O5 1.664(8) .
Mo1 O7 1.848(9) .
Mo1 O12 2.001(8) .
Mo1 O18 1.843(10) .
Mo2 O1 2.437(12) .
Mo2 O6 1.848(9) 2_663
Mo2 O7 2.005(9) .
Mo2 O8 1.846(9) 2_663
Mo2 O13 1.679(7) .
Mo2 O14 1.995(9) .
Mo3 O1 2.466(13) 2_663
Mo3 O3 1.831(9) .
Mo3 O6 1.987(9) .
Mo3 O9 1.835(9) .
Mo3 O15 1.682(8) .
Mo3 O19 1.995(9) .
Mo4 O1' 2.519(11) 2_663
Mo4 O2 2.495(11) .
Mo4 O8 1.980(8) .
Mo4 O11 1.829(9) 2_663
Mo4 O12 1.815(8) .
Mo4 O16 1.998(10) .
Mo4 O17 1.658(8) .
Mo5 O1' 2.463(13) 2_663
Mo5 O2' 2.504(13) .
Mo5 O10 1.673(8) .
Mo5 O16 1.828(9) .
Mo5 O18 1.992(9) .
Mo5 O19 1.847(8) .
Mo5 O20 1.999(8) .
Mo6 O2' 2.470(13) .
Mo6 O2 2.455(13) 2_663
Mo6 O4 1.686(8) .
Mo6 O9 1.979(8) .
Mo6 O11 1.995(8) .
Mo6 O14 1.845(8) .
Mo6 O20 1.838(8) .
O1' Mo4 2.519(11) 2_663
O1' Mo5 2.463(13) 2_663
O1' O2' 1.688(19) 2_663
O1' O2 1.736(19) 2_663
O1 Mo3 2.466(13) 2_663
O2' O1' 1.688(19) 2_663
O2' O2 1.692(16) 2_663
O2 Mo6 2.455(13) 2_663
O2 O1' 1.736(19) 2_663
O2 O2' 1.692(16) 2_663
O3 Mo1 1.986(10) 2_663
O4 Ag1 2.478(8) .
O6 Mo2 1.848(9) 2_663
O8 Mo2 1.846(9) 2_663
O11 Mo4 1.829(9) 2_663
Ag1 N1 2.288(9) .
Ag1 O1W 2.33(2) .
Ag1 O1WA 2.31(3) .
Ag2 N2 2.176(9) 2_564
Ag2 N2 2.176(9) .
C1 C2 1.383(16) .
C1 N2 1.333(14) .
C2 N1 1.359(15) .
C3 C4 1.418(14) .
C3 C11 1.491(14) .
C3 N2 1.354(14) .
C4 C5 1.487(15) .
C4 N1 1.363(13) .
C5 C6 1.396(15) .
C5 C10 1.392(15) .
C6 C7 1.382(17) .
C7 C8 1.37(2) .
C8 C9 1.40(2) .
C9 C10 1.38(2) .
C11 C12 1.418(15) .
C11 C16 1.363(18) .
C12 C13 1.393(18) .
C13 C14 1.37(2) .
C14 C15 1.36(2) .
C15 C16 1.432(18) .
