# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_compound-3
_audit_block_doi                 10.5517/ccdc.csd.cc23pxxn
_database_code_depnum_ccdc_archive 'CCDC 1957492'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2020-02-15 deposited with the CCDC.	2020-08-07 downloaded from the CCDC.
;
_audit_creation_date             2020-02-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C18 H16 Ag Mo12 N5 O41 Si), 8(H2 O)'
_chemical_formula_sum            'C36 H48 Ag2 Mo24 N10 O90 Si2'
_chemical_formula_weight         4635.32
_chemical_melting_point          ?
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.3224(12)
_cell_length_b                   18.0088(15)
_cell_length_c                   18.5733(15)
_cell_angle_alpha                90
_cell_angle_beta                 101.353(2)
_cell_angle_gamma                90
_cell_volume                     5024.8(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3119
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      50.736
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.411
_exptl_absorpt_correction_T_max  0.600
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1090 before and 0.0367 after correction.
The Ratio of minimum to maximum transmission is 0.5626.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    3.064
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4368
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_unetI/netI     0.0779
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28516
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.590
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6047
_reflns_number_total             8845
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.688
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         8845
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0421
_refine_ls_restrained_S_all      1.013
_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)+(0.0367P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0948
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Shared sites
{C10, C10A}
{C11, C11A}
{C16, C16A}
{C15, C15A}
3. Restrained distances
 H41A-N4
 1 with sigma of 0.1
 H42A-N4
 1 with sigma of 0.1
4. Rigid bond restraints
 C12, N5
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 N4, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.001
Uanis(C10) = Uanis(C10A)
Uanis(C11) = Uanis(C11A)
Uanis(C16) = Uanis(C16A)
Uanis(C15) = Uanis(C15A)
6. Others
 Sof(H12A)=Sof(H13A)=Sof(H18A)=Sof(H17A)=Sof(O42)=Sof(H42A)=Sof(H42B)=
 Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C16A)=Sof(H16A)=Sof(C15A)=
 Sof(H15A)=1-FVAR(1)
 Sof(C15)=Sof(H15)=Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=Sof(H12)=Sof(H13)=
 Sof(C16)=Sof(H16)=Sof(H18)=Sof(H17)=Sof(O41)=Sof(H41A)=Sof(H41B)=FVAR(1)
7.a Everything fixed:
 O3W, H3WA, H3WB, H25
7.b Riding coordinates:
 O41(H41A,H41B), O42(H42A,H42B)
7.c Free rotating group:
 O2W(H2WA,H2WB), O4W(H4WA,H4WB)
7.d Rotating group:
 O1W(H1WA,H1WB)
7.e Aromatic/amide H refined with riding coordinates:
 C15(H15), C10(H10), C2(H2), C1(H1), C3(H3), C5(H5), C11(H11), C12(H12),
 C12(H12A), C13(H13), C13(H13A), C16(H16), C18(H18), C18(H18A), C17(H17),
 C17(H17A), C10A(H10A), C11A(H11A), C16A(H16A), C15A(H15A)
7.f Idealised tetrahedral OH refined as rotating group:
 O35(H35)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Ag1 Ag 0.56091(5) 0.07162(5) 0.38667(5) 0.0488(3) Uani 1 1 d . . . . .
Mo1 Mo 0.28084(5) -0.18495(4) 0.24371(4) 0.02013(19) Uani 1 1 d . . . . .
Mo2 Mo 0.16664(5) 0.01511(5) 0.40206(4) 0.02061(19) Uani 1 1 d . . . . .
Mo3 Mo 0.36539(5) -0.06395(4) 0.40295(4) 0.02068(19) Uani 1 1 d . . . . .
Mo4 Mo 0.07809(5) -0.12144(4) 0.25584(4) 0.02073(19) Uani 1 1 d . . . . .
Mo5 Mo 0.14553(5) -0.11354(5) 0.09630(4) 0.02145(19) Uani 1 1 d . . . . .
Mo6 Mo 0.03049(5) 0.08036(5) 0.22616(4) 0.0213(2) Uani 1 1 d . . . . .
Mo7 Mo 0.34195(5) 0.12083(5) 0.38653(4) 0.02120(19) Uani 1 1 d . . . . .
Mo8 Mo 0.41911(5) 0.12731(5) 0.20901(4) 0.0227(2) Uani 1 1 d . . . . .
Mo9 Mo 0.19516(5) 0.20096(4) 0.22087(5) 0.0226(2) Uani 1 1 d . . . . .
Mo10 Mo 0.12057(5) 0.09017(5) 0.07628(4) 0.0236(2) Uani 1 1 d . . . . .
Mo11 Mo 0.33997(5) 0.00245(5) 0.07675(4) 0.0257(2) Uani 1 1 d . . . . .
Mo12 Mo 0.46641(5) -0.05467(5) 0.23507(4) 0.0231(2) Uani 1 1 d . . . . .
Si1 Si 0.24639(14) 0.00857(13) 0.23591(13) 0.0131(5) Uani 1 1 d . . . . .
O1 O 0.3359(3) 0.0176(3) 0.2015(3) 0.0147(13) Uani 1 1 d . . . . .
O1W O 0.6482(5) -0.0388(4) 0.4097(4) 0.053(2) Uani 1 1 d . . . . .
H1WA H 0.615056 -0.086587 0.399224 0.080 Uiso 1 1 d GR . . . .
H1WB H 0.674738 -0.048193 0.462610 0.080 Uiso 1 1 d GR . . . .
O2 O 0.2720(3) 0.0175(3) 0.3245(3) 0.0146(13) Uani 1 1 d . . . . .
O3 O 0.2038(3) -0.0734(3) 0.2158(3) 0.0165(13) Uani 1 1 d . . . . .
O4 O 0.0583(3) -0.1397(3) 0.1501(3) 0.0213(14) Uani 1 1 d . . . . .
O5 O 0.4380(4) -0.0520(3) 0.1279(3) 0.0252(15) Uani 1 1 d . . . . .
O6 O 0.0267(3) -0.0209(3) 0.2249(3) 0.0184(14) Uani 1 1 d . . . . .
O7 O 0.2682(4) -0.0494(3) 0.4489(3) 0.0201(14) Uani 1 1 d . . . . .
O8 O 0.1593(4) -0.1980(3) 0.2714(3) 0.0196(14) Uani 1 1 d . . . . .
O9 O 0.3111(4) -0.1395(3) 0.3422(3) 0.0203(14) Uani 1 1 d . . . . .
O10 O 0.1747(3) 0.0717(3) 0.2028(3) 0.0151(13) Uani 1 1 d . . . . .
O11 O 0.0165(4) 0.0956(3) 0.1248(3) 0.0231(15) Uani 1 1 d . . . . .
O12 O 0.2434(4) 0.0962(3) 0.4353(3) 0.0221(14) Uani 1 1 d . . . . .
O13 O 0.4429(3) -0.0512(3) 0.3301(3) 0.0220(14) Uani 1 1 d . . . . .
O14 O 0.0947(3) 0.0701(3) 0.3297(3) 0.0187(14) Uani 1 1 d . . . . .
O15 O 0.2195(4) -0.1946(3) 0.1457(3) 0.0196(14) Uani 1 1 d . . . . .
O16 O 0.0837(3) 0.1839(3) 0.2387(3) 0.0214(14) Uani 1 1 d . . . . .
O17 O 0.1240(4) -0.0729(3) 0.3453(3) 0.0187(14) Uani 1 1 d . . . . .
O18 O 0.3788(4) -0.1392(3) 0.2225(3) 0.0222(14) Uani 1 1 d . . . . .
O19 O 0.2562(4) 0.1764(3) 0.3156(3) 0.0240(15) Uani 1 1 d . . . . .
O20 O 0.4048(4) 0.0381(3) 0.4332(3) 0.0235(15) Uani 1 1 d . . . . .
O21 O 0.3143(4) 0.1757(3) 0.1938(3) 0.0246(15) Uani 1 1 d . . . . .
O22 O 0.1522(4) 0.1862(3) 0.1155(3) 0.0217(14) Uani 1 1 d . . . . .
O23 O 0.2372(4) 0.0693(3) 0.0646(3) 0.0242(15) Uani 1 1 d . . . . .
O24 O 0.4137(4) 0.1218(3) 0.3136(3) 0.0243(15) Uani 1 1 d . . . . .
O25 O 0.4093(4) 0.0942(3) 0.1108(3) 0.0264(15) Uani 1 1 d . . . . .
O26 O 0.2595(4) -0.0736(3) 0.0756(3) 0.0246(15) Uani 1 1 d . . . . .
O27 O 0.0729(4) 0.1129(4) -0.0106(3) 0.0304(16) Uani 1 1 d . . . . .
O28 O -0.0127(4) -0.1620(3) 0.2765(4) 0.0298(16) Uani 1 1 d . . . . .
O29 O 0.1063(4) 0.0113(4) 0.4682(3) 0.0293(16) Uani 1 1 d . . . . .
O30 O 0.4354(4) -0.1103(4) 0.4695(3) 0.0274(15) Uani 1 1 d . . . . .
O31 O 0.1044(3) -0.0166(3) 0.0765(3) 0.0215(14) Uani 1 1 d . . . . .
O32 O -0.0713(4) 0.1050(3) 0.2389(3) 0.0280(16) Uani 1 1 d . . . . .
O33 O 0.3153(4) -0.2720(3) 0.2652(3) 0.0270(15) Uani 1 1 d . . . . .
O34 O 0.5071(4) 0.0422(3) 0.2368(3) 0.0281(16) Uani 1 1 d . . . . .
O35 O 0.1080(4) -0.1571(4) 0.0170(3) 0.0282(16) Uani 1 1 d . . . . .
H35 H 0.057653 -0.142375 -0.000653 0.042 Uiso 1 1 calc GR . . . .
O36 O 0.2027(4) 0.2942(3) 0.2209(4) 0.0319(17) Uani 1 1 d . . . . .
O37 O 0.3888(4) 0.1895(4) 0.4428(3) 0.0300(16) Uani 1 1 d . . . . .
O38 O 0.5610(4) -0.1031(4) 0.2464(3) 0.0326(17) Uani 1 1 d . . . . .
O39 O 0.4950(4) 0.1951(4) 0.2115(4) 0.0365(18) Uani 1 1 d . . . . .
O40 O 0.3610(4) 0.0033(4) -0.0093(3) 0.0363(18) Uani 1 1 d . . . . .
N1 N 0.5006(7) 0.3476(6) 0.5047(7) 0.061(3) Uani 1 1 d . U . . .
N3 N 0.7801(5) 0.2083(4) 0.4861(4) 0.0226(18) Uani 1 1 d . . . . .
N2 N 0.6811(4) 0.1542(4) 0.3983(4) 0.0193(17) Uani 1 1 d . . . . .
C15 C 0.7138(6) 0.0640(5) 0.2754(5) 0.026(2) Uani 0.46(4) 1 d . . P A 1
H15 H 0.666408 0.097068 0.264520 0.031 Uiso 0.46(4) 1 calc R . P A 1
C10 C 0.9772(6) 0.1637(6) 0.5298(5) 0.031(2) Uani 0.46(4) 1 d . . P A 1
H10 H 0.952004 0.149971 0.569491 0.037 Uiso 0.46(4) 1 calc R . P A 1
C2 C 0.4898(7) 0.3223(6) 0.4375(8) 0.056(4) Uani 1 1 d . . . . .
H2 H 0.441049 0.337415 0.402477 0.067 Uiso 1 1 calc R . . . .
C1 C 0.5709(9) 0.3309(7) 0.5556(8) 0.062(4) Uani 1 1 d . U . . .
H1 H 0.576415 0.351099 0.602396 0.074 Uiso 1 1 calc R . . . .
C3 C 0.5530(6) 0.2713(5) 0.4178(6) 0.036(3) Uani 1 1 d . . . . .
H3 H 0.545038 0.251471 0.370708 0.043 Uiso 1 1 calc R . . . .
C5 C 0.6358(8) 0.2845(6) 0.5409(6) 0.043(3) Uani 1 1 d . . . . .
H5 H 0.685778 0.274114 0.576799 0.052 Uiso 1 1 calc R . . . .
C4 C 0.6257(6) 0.2529(5) 0.4706(5) 0.023(2) Uani 1 1 d . . . . .
C6 C 0.6940(6) 0.2035(5) 0.4529(5) 0.025(2) Uani 1 1 d . . . . .
C7 C 0.7635(5) 0.1276(5) 0.3938(4) 0.020(2) Uani 1 1 d . . . . .
C8 C 0.8265(6) 0.1624(5) 0.4469(5) 0.021(2) Uani 1 1 d . . . . .
C9 C 0.9240(5) 0.1678(5) 0.4595(5) 0.020(2) Uani 1 1 d . . . . .
C11 C 0.9665(6) 0.1865(5) 0.4023(5) 0.029(2) Uani 0.46(4) 1 d . . P A 1
H11 H 0.934211 0.186805 0.354308 0.035 Uiso 0.46(4) 1 calc R . P A 1
C12 C 1.0553(6) 0.2045(6) 0.4157(6) 0.036(2) Uani 1 1 d . U . . .
H12 H 1.081970 0.219553 0.377265 0.043 Uiso 0.46(4) 1 calc R . P A 1
H12A H 1.081970 0.219553 0.377265 0.043 Uiso 0.54(4) 1 calc R . P A 2
N5 N 1.1030(5) 0.2003(5) 0.4834(5) 0.036(2) Uani 1 1 d . U . . .
C13 C 1.0657(6) 0.1798(5) 0.5406(6) 0.033(3) Uani 1 1 d . . . . .
H13 H 1.100679 0.176569 0.587489 0.039 Uiso 0.46(4) 1 calc R . P A 1
H13A H 1.100679 0.176569 0.587489 0.039 Uiso 0.54(4) 1 calc R . P A 2
C14 C 0.7747(6) 0.0702(5) 0.3400(5) 0.020(2) Uani 1 1 d . . . . .
C16 C 0.8455(6) 0.0179(5) 0.3554(5) 0.024(2) Uani 0.46(4) 1 d . . P A 1
H16 H 0.887179 0.020132 0.399110 0.029 Uiso 0.46(4) 1 calc R . P A 1
C18 C 0.8508(7) -0.0362(6) 0.3040(6) 0.039(3) Uani 1 1 d . U . . .
H18 H 0.896987 -0.070436 0.313418 0.047 Uiso 0.46(4) 1 calc R . P A 1
H18A H 0.896987 -0.070436 0.313418 0.047 Uiso 0.54(4) 1 calc R . P A 2
N4 N 0.7919(6) -0.0408(5) 0.2415(5) 0.041(2) Uani 1 1 d D U . . .
C17 C 0.7239(7) 0.0078(6) 0.2265(6) 0.039(3) Uani 1 1 d . . . . .
H17 H 0.682932 0.003569 0.182529 0.047 Uiso 0.46(4) 1 calc R . P A 1
H17A H 0.682932 0.003569 0.182529 0.047 Uiso 0.54(4) 1 calc R . P A 2
O2W O 0.8533(7) 0.2889(5) 0.6091(4) 0.069(3) Uani 1 1 d . . . . .
H2WA H 0.878139 0.330420 0.605212 0.104 Uiso 1 1 d G . . . .
H2WB H 0.862821 0.280557 0.655044 0.104 Uiso 1 1 d G . . . .
O3W O 0.269030 0.232510 0.014460 0.063 Uani 1 1 d . . . . .
H3WA H 0.251130 0.221090 0.053540 0.094 Uiso 1 1 d . . . . .
H3WB H 0.255960 0.197800 -0.016810 0.094 Uiso 1 1 d . . . . .
O4W O 0.4214(7) 0.3140(6) 0.1007(5) 0.079(3) Uani 1 1 d . . . . .
H4WA H 0.376469 0.285461 0.089750 0.119 Uiso 1 1 d G . . . .
H4WB H 0.442476 0.304697 0.145688 0.119 Uiso 1 1 d G . . . .
O41 O 0.824(2) -0.1263(13) 0.1253(11) 0.078(10) Uani 0.46(4) 1 d . . P A 1
H41A H 0.807897 -0.101636 0.159492 0.117 Uiso 0.46(4) 1 d DR . P A 1
H41B H 0.873277 -0.107106 0.121012 0.117 Uiso 0.46(4) 1 d R . P A 1
O42 O 0.743(3) -0.1301(11) 0.1119(11) 0.107(12) Uani 0.54(4) 1 d . . P A 2
H42A H 0.764429 -0.110192 0.153063 0.161 Uiso 0.54(4) 1 d DR . P A 2
H42B H 0.780349 -0.163882 0.107023 0.161 Uiso 0.54(4) 1 d R . P A 2
C10A C 0.9772(6) 0.1637(6) 0.5298(5) 0.031(2) Uani 0.54(4) 1 d . . P A 2
H10A H 0.952004 0.149971 0.569491 0.037 Uiso 0.54(4) 1 calc R . P A 2
C11A C 0.9665(6) 0.1865(5) 0.4023(5) 0.029(2) Uani 0.54(4) 1 d . . P A 2
H11A H 0.934211 0.186805 0.354308 0.035 Uiso 0.54(4) 1 calc R . P A 2
C16A C 0.8455(6) 0.0179(5) 0.3554(5) 0.024(2) Uani 0.54(4) 1 d . . P A 2
H16A H 0.887179 0.020132 0.399110 0.029 Uiso 0.54(4) 1 calc R . P A 2
C15A C 0.7138(6) 0.0640(5) 0.2754(5) 0.026(2) Uani 0.54(4) 1 d . . P A 2
H15A H 0.666408 0.097068 0.264520 0.031 Uiso 0.54(4) 1 calc R . P A 2
H25 H 0.449210 0.077350 0.117610 1.775 Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1W 2.387(8) . ?
Ag1 O24 2.558(6) . ?
Ag1 N2 2.343(7) . ?
Mo1 O3 2.336(6) . ?
Mo1 O8 2.041(5) . ?
Mo1 O9 1.974(6) . ?
Mo1 O15 1.885(5) . ?
Mo1 O18 1.822(6) . ?
Mo1 O33 1.677(6) . ?
Mo2 O2 2.366(5) . ?
Mo2 O7 1.999(6) . ?
Mo2 O12 1.900(6) . ?
Mo2 O14 1.849(6) . ?
Mo2 O17 1.944(6) . ?
Mo2 O29 1.678(6) . ?
Mo3 O2 2.346(5) . ?
Mo3 O7 1.875(5) . ?
Mo3 O9 1.857(6) . ?
Mo3 O13 1.982(6) . ?
Mo3 O20 1.981(6) . ?
Mo3 O30 1.689(6) . ?
Mo4 O3 2.362(5) . ?
Mo4 O4 1.956(6) . ?
Mo4 O6 2.013(6) . ?
Mo4 O8 1.842(6) . ?
Mo4 O17 1.887(5) . ?
Mo4 O28 1.682(6) . ?
Mo5 O3 2.337(5) . ?
Mo5 O4 1.879(6) . ?
Mo5 O15 1.962(6) . ?
Mo5 O26 1.995(6) . ?
Mo5 O31 1.867(6) . ?
Mo5 O35 1.669(6) . ?
Mo6 O6 1.824(6) . ?
Mo6 O10 2.339(5) . ?
Mo6 O11 1.873(6) . ?
Mo6 O14 1.988(5) . ?
Mo6 O16 2.030(6) . ?
Mo6 O32 1.683(6) . ?
Mo7 O2 2.335(5) . ?
Mo7 O12 1.959(5) . ?
Mo7 O19 1.945(6) . ?
Mo7 O20 1.890(6) . ?
Mo7 O24 1.905(6) . ?
Mo7 O37 1.685(6) . ?
Mo8 O1 2.341(5) . ?
Mo8 O21 1.800(6) . ?
Mo8 O24 1.963(6) . ?
Mo8 O25 1.896(6) . ?
Mo8 O34 2.040(6) . ?
Mo8 O39 1.681(6) . ?
Mo8 H25 2.0524 . ?
Mo9 O10 2.364(5) . ?
Mo9 O16 1.828(5) . ?
Mo9 O19 1.876(6) . ?
Mo9 O21 2.038(6) . ?
Mo9 O22 1.956(6) . ?
Mo9 O36 1.684(6) . ?
Mo10 O10 2.356(5) . ?
Mo10 O11 1.982(5) . ?
Mo10 O22 1.903(6) . ?
Mo10 O23 1.881(5) . ?
Mo10 O27 1.685(6) . ?
Mo10 O31 1.940(6) . ?
Mo11 O1 2.345(5) . ?
Mo11 O5 1.885(6) . ?
Mo11 O23 1.960(6) . ?
Mo11 O25 1.999(6) . ?
Mo11 O26 1.840(6) . ?
Mo11 O40 1.691(6) . ?
Mo11 H25 2.1673 . ?
Mo12 O1 2.365(5) . ?
Mo12 O5 1.953(6) . ?
Mo12 O13 1.870(6) . ?
Mo12 O18 2.012(6) . ?
Mo12 O34 1.850(6) . ?
Mo12 O38 1.669(6) . ?
Si1 O1 1.631(5) . ?
Si1 O2 1.622(6) . ?
Si1 O3 1.627(6) . ?
Si1 O10 1.616(6) . ?
O1W H1WA 0.9989 . ?
O1W H1WB 1.0021 . ?
O25 H25 0.6724 . ?
O35 H35 0.8200 . ?
N1 C2 1.308(15) . ?
N1 C1 1.321(15) . ?
N3 C6 1.345(11) . ?
N3 C8 1.388(11) . ?
N2 C6 1.333(11) . ?
N2 C7 1.368(10) . ?
C15 H15 0.9300 . ?
C15 C14 1.371(12) . ?
C15 C17 1.390(13) . ?
C10 H10 0.9300 . ?
C10 C9 1.399(12) . ?
C10 C13 1.362(12) . ?
C2 H2 0.9300 . ?
C2 C3 1.433(14) . ?
C1 H1 0.9300 . ?
C1 C5 1.366(15) . ?
C3 H3 0.9300 . ?
C3 C4 1.373(13) . ?
C5 H5 0.9300 . ?
C5 C4 1.405(13) . ?
C4 C6 1.460(12) . ?
C7 C8 1.388(11) . ?
C7 C14 1.471(12) . ?
C8 C9 1.468(11) . ?
C9 C11 1.392(12) . ?
C9 C10A 1.399(12) . ?
C9 C11A 1.392(12) . ?
C11 H11 0.9300 . ?
C11 C12 1.373(12) . ?
C12 H12 0.9300 . ?
C12 H12A 0.9300 . ?
C12 N5 1.327(12) . ?
C12 C11A 1.373(12) . ?
N5 C13 1.353(12) . ?
C13 H13 0.9300 . ?
C13 H13A 0.9300 . ?
C13 C10A 1.362(12) . ?
C14 C16 1.422(12) . ?
C14 C16A 1.422(12) . ?
C14 C15A 1.371(12) . ?
C16 H16 0.9300 . ?
C16 C18 1.377(13) . ?
C18 H18 0.9300 . ?
C18 H18A 0.9300 . ?
C18 N4 1.325(12) . ?
C18 C16A 1.377(13) . ?
N4 C17 1.346(13) . ?
C17 H17 0.9300 . ?
C17 H17A 0.9300 . ?
C17 C15A 1.390(13) . ?
O2W H2WA 0.8492 . ?
O2W H2WB 0.8499 . ?
O3W H3WA 0.8501 . ?
O3W H3WB 0.8499 . ?
O4W H4WA 0.8508 . ?
O4W H4WB 0.8505 . ?
O41 H41A 0.8501 . ?
O41 H41B 0.8496 . ?
O42 H42A 0.8500 . ?
O42 H42B 0.8504 . ?
C10A H10A 0.9300 . ?
C11A H11A 0.9300 . ?
C16A H16A 0.9300 . ?
C15A H15A 0.9300 . ?

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
_geom_angle_publ_flag
O1W Ag1 O24 142.5(2) . . ?
N2 Ag1 O1W 96.3(2) . . ?
N2 Ag1 O24 114.8(2) . . ?
O8 Mo1 O3 73.1(2) . . ?
O9 Mo1 O3 82.3(2) . . ?
O9 Mo1 O8 82.7(2) . . ?
O15 Mo1 O3 74.4(2) . . ?
O15 Mo1 O8 85.8(2) . . ?
O15 Mo1 O9 156.1(2) . . ?
O18 Mo1 O3 87.9(2) . . ?
O18 Mo1 O8 159.7(2) . . ?
O18 Mo1 O9 87.7(2) . . ?
O18 Mo1 O15 96.2(2) . . ?
O33 Mo1 O3 168.1(2) . . ?
O33 Mo1 O8 95.3(3) . . ?
O33 Mo1 O9 99.3(3) . . ?
O33 Mo1 O15 102.6(3) . . ?
O33 Mo1 O18 103.9(3) . . ?
O7 Mo2 O2 73.1(2) . . ?
O12 Mo2 O2 74.4(2) . . ?
O12 Mo2 O7 85.8(2) . . ?
O12 Mo2 O17 157.4(2) . . ?
O14 Mo2 O2 85.9(2) . . ?
O14 Mo2 O7 158.3(2) . . ?
O14 Mo2 O12 93.8(2) . . ?
O14 Mo2 O17 87.3(2) . . ?
O17 Mo2 O2 83.2(2) . . ?
O17 Mo2 O7 84.9(2) . . ?
O29 Mo2 O2 170.7(2) . . ?
O29 Mo2 O7 98.7(3) . . ?
O29 Mo2 O12 100.8(3) . . ?
O29 Mo2 O14 102.6(3) . . ?
O29 Mo2 O17 100.9(3) . . ?
O7 Mo3 O2 75.7(2) . . ?
O7 Mo3 O13 158.6(2) . . ?
O7 Mo3 O20 88.1(2) . . ?
O9 Mo3 O2 86.3(2) . . ?
O9 Mo3 O7 94.5(2) . . ?
O9 Mo3 O13 85.8(2) . . ?
O9 Mo3 O20 158.0(2) . . ?
O13 Mo3 O2 83.0(2) . . ?
O20 Mo3 O2 73.2(2) . . ?
O20 Mo3 O13 84.0(2) . . ?
O30 Mo3 O2 170.2(3) . . ?
O30 Mo3 O7 100.5(3) . . ?
O30 Mo3 O9 103.1(3) . . ?
O30 Mo3 O13 100.2(3) . . ?
O30 Mo3 O20 97.8(3) . . ?
O4 Mo4 O3 73.7(2) . . ?
O4 Mo4 O6 83.7(2) . . ?
O6 Mo4 O3 83.0(2) . . ?
O8 Mo4 O3 75.9(2) . . ?
O8 Mo4 O4 89.9(2) . . ?
O8 Mo4 O6 158.9(2) . . ?
O8 Mo4 O17 94.9(2) . . ?
O17 Mo4 O3 85.5(2) . . ?
O17 Mo4 O4 156.9(2) . . ?
O17 Mo4 O6 83.8(2) . . ?
O28 Mo4 O3 173.7(3) . . ?
O28 Mo4 O4 100.6(3) . . ?
O28 Mo4 O6 99.3(3) . . ?
O28 Mo4 O8 101.7(3) . . ?
O28 Mo4 O17 100.5(3) . . ?
O4 Mo5 O3 75.6(2) . . ?
O4 Mo5 O15 88.3(2) . . ?
O4 Mo5 O26 159.1(2) . . ?
O15 Mo5 O3 73.0(2) . . ?
O15 Mo5 O26 84.9(2) . . ?
O26 Mo5 O3 83.4(2) . . ?
O31 Mo5 O3 87.1(2) . . ?
O31 Mo5 O4 95.2(2) . . ?
O31 Mo5 O15 158.3(2) . . ?
O31 Mo5 O26 84.2(2) . . ?
O35 Mo5 O3 169.9(3) . . ?
O35 Mo5 O4 101.2(3) . . ?
O35 Mo5 O15 97.5(3) . . ?
O35 Mo5 O26 99.4(3) . . ?
O35 Mo5 O31 102.8(3) . . ?
O6 Mo6 O10 87.7(2) . . ?
O6 Mo6 O11 97.8(3) . . ?
O6 Mo6 O14 85.8(2) . . ?
O6 Mo6 O16 158.5(2) . . ?
O11 Mo6 O10 75.4(2) . . ?
O11 Mo6 O14 157.3(2) . . ?
O11 Mo6 O16 86.8(2) . . ?
O14 Mo6 O10 82.4(2) . . ?
O14 Mo6 O16 82.2(2) . . ?
O16 Mo6 O10 73.1(2) . . ?
O32 Mo6 O6 103.7(3) . . ?
O32 Mo6 O10 168.3(2) . . ?
O32 Mo6 O11 100.2(3) . . ?
O32 Mo6 O14 100.7(3) . . ?
O32 Mo6 O16 96.0(3) . . ?
O12 Mo7 O2 74.2(2) . . ?
O19 Mo7 O2 83.8(2) . . ?
O19 Mo7 O12 87.1(2) . . ?
O20 Mo7 O2 75.0(2) . . ?
O20 Mo7 O12 88.8(2) . . ?
O20 Mo7 O19 158.7(2) . . ?
O20 Mo7 O24 91.1(3) . . ?
O24 Mo7 O2 86.0(2) . . ?
O24 Mo7 O12 159.4(2) . . ?
O24 Mo7 O19 85.5(2) . . ?
O37 Mo7 O2 171.3(3) . . ?
O37 Mo7 O12 98.7(3) . . ?
O37 Mo7 O19 101.0(3) . . ?
O37 Mo7 O20 100.2(3) . . ?
O37 Mo7 O24 101.5(3) . . ?
O1 Mo8 H25 77.8 . . ?
O21 Mo8 O1 86.6(2) . . ?
O21 Mo8 O24 88.3(2) . . ?
O21 Mo8 O25 95.8(3) . . ?
O21 Mo8 O34 158.2(2) . . ?
O21 Mo8 H25 114.9 . . ?
O24 Mo8 O1 83.6(2) . . ?
O24 Mo8 O34 82.3(2) . . ?
O24 Mo8 H25 148.9 . . ?
O25 Mo8 O1 74.8(2) . . ?
O25 Mo8 O24 157.7(3) . . ?
O25 Mo8 O34 86.0(3) . . ?
O25 Mo8 H25 19.1 . . ?
O34 Mo8 O1 72.9(2) . . ?
O34 Mo8 H25 68.6 . . ?
O39 Mo8 O1 168.8(3) . . ?
O39 Mo8 O21 104.1(3) . . ?
O39 Mo8 O24 100.0(3) . . ?
O39 Mo8 O25 100.3(3) . . ?
O39 Mo8 O34 96.9(3) . . ?
O39 Mo8 H25 94.3 . . ?
O16 Mo9 O10 76.0(2) . . ?
O16 Mo9 O19 95.8(2) . . ?
O16 Mo9 O21 157.1(3) . . ?
O16 Mo9 O22 90.9(2) . . ?
O19 Mo9 O10 85.9(2) . . ?
O19 Mo9 O21 82.7(2) . . ?
O19 Mo9 O22 156.1(3) . . ?
O21 Mo9 O10 81.1(2) . . ?
O22 Mo9 O10 73.4(2) . . ?
O22 Mo9 O21 82.2(2) . . ?
O36 Mo9 O10 171.7(3) . . ?
O36 Mo9 O16 103.5(3) . . ?
O36 Mo9 O19 102.3(3) . . ?
O36 Mo9 O21 99.1(3) . . ?
O36 Mo9 O22 98.4(3) . . ?
O11 Mo10 O10 73.2(2) . . ?
O22 Mo10 O10 74.5(2) . . ?
O22 Mo10 O11 87.0(2) . . ?
O22 Mo10 O31 157.5(2) . . ?
O23 Mo10 O10 86.0(2) . . ?
O23 Mo10 O11 158.5(2) . . ?
O23 Mo10 O22 92.8(3) . . ?
O23 Mo10 O31 85.8(2) . . ?
O27 Mo10 O10 171.9(3) . . ?
O27 Mo10 O11 100.8(3) . . ?
O27 Mo10 O22 100.1(3) . . ?
O27 Mo10 O23 100.4(3) . . ?
O27 Mo10 O31 102.2(3) . . ?
O31 Mo10 O10 83.0(2) . . ?
O31 Mo10 O11 86.2(2) . . ?
O1 Mo11 H25 75.6 . . ?
O5 Mo11 O1 74.7(2) . . ?
O5 Mo11 O23 156.8(2) . . ?
O5 Mo11 O25 87.1(3) . . ?
O5 Mo11 H25 70.3 . . ?
O23 Mo11 O1 82.2(2) . . ?
O23 Mo11 O25 83.8(2) . . ?
O23 Mo11 H25 101.8 . . ?
O25 Mo11 O1 72.9(2) . . ?
O25 Mo11 H25 18.0 . . ?
O26 Mo11 O1 87.1(2) . . ?
O26 Mo11 O5 94.8(3) . . ?
O26 Mo11 O23 86.3(3) . . ?
O26 Mo11 O25 158.7(2) . . ?
O26 Mo11 H25 159.5 . . ?
O40 Mo11 O1 168.3(3) . . ?
O40 Mo11 O5 101.5(3) . . ?
O40 Mo11 O23 100.6(3) . . ?
O40 Mo11 O25 95.9(3) . . ?
O40 Mo11 O26 104.4(3) . . ?
O40 Mo11 H25 92.7 . . ?
O5 Mo12 O1 73.1(2) . . ?
O5 Mo12 O18 83.7(2) . . ?
O13 Mo12 O1 85.4(2) . . ?
O13 Mo12 O5 156.2(2) . . ?
O13 Mo12 O18 83.5(2) . . ?
O18 Mo12 O1 82.8(2) . . ?
O34 Mo12 O1 75.5(2) . . ?
O34 Mo12 O5 90.1(3) . . ?
O34 Mo12 O13 94.5(3) . . ?
O34 Mo12 O18 158.4(2) . . ?
O38 Mo12 O1 171.6(3) . . ?
O38 Mo12 O5 99.0(3) . . ?
O38 Mo12 O13 102.8(3) . . ?
O38 Mo12 O18 99.3(3) . . ?
O38 Mo12 O34 102.1(3) . . ?
O2 Si1 O1 109.5(3) . . ?
O2 Si1 O3 109.2(3) . . ?
O3 Si1 O1 109.3(3) . . ?
O10 Si1 O1 110.0(3) . . ?
O10 Si1 O2 109.1(3) . . ?
O10 Si1 O3 109.8(3) . . ?
Mo8 O1 Mo11 92.14(18) . . ?
Mo8 O1 Mo12 91.50(18) . . ?
Mo11 O1 Mo12 90.63(18) . . ?
Si1 O1 Mo8 123.4(3) . . ?
Si1 O1 Mo11 124.3(3) . . ?
Si1 O1 Mo12 125.0(3) . . ?
Ag1 O1W H1WA 116.0 . . ?
Ag1 O1W H1WB 114.9 . . ?
H1WA O1W H1WB 97.9 . . ?
Mo3 O2 Mo2 90.92(18) . . ?
Mo7 O2 Mo2 90.91(19) . . ?
Mo7 O2 Mo3 91.54(18) . . ?
Si1 O2 Mo2 123.9(3) . . ?
Si1 O2 Mo3 124.3(3) . . ?
Si1 O2 Mo7 125.1(3) . . ?
Mo1 O3 Mo4 91.29(19) . . ?
Mo1 O3 Mo5 91.5(2) . . ?
Mo5 O3 Mo4 90.16(18) . . ?
Si1 O3 Mo1 124.5(3) . . ?
Si1 O3 Mo4 125.1(3) . . ?
Si1 O3 Mo5 124.1(3) . . ?
Mo5 O4 Mo4 120.4(3) . . ?
Mo11 O5 Mo12 121.5(3) . . ?
Mo6 O6 Mo4 152.4(3) . . ?
Mo3 O7 Mo2 120.2(3) . . ?
Mo4 O8 Mo1 119.7(3) . . ?
Mo3 O9 Mo1 149.6(3) . . ?
Mo6 O10 Mo9 90.67(19) . . ?
Mo6 O10 Mo10 90.91(18) . . ?
Mo10 O10 Mo9 90.78(18) . . ?
Si1 O10 Mo6 124.9(3) . . ?
Si1 O10 Mo9 125.3(3) . . ?
Si1 O10 Mo10 124.0(3) . . ?
Mo6 O11 Mo10 120.4(3) . . ?
Mo2 O12 Mo7 120.5(3) . . ?
Mo12 O13 Mo3 153.2(3) . . ?
Mo2 O14 Mo6 149.7(3) . . ?
Mo1 O15 Mo5 121.0(3) . . ?
Mo9 O16 Mo6 120.1(3) . . ?
Mo4 O17 Mo2 151.9(3) . . ?
Mo1 O18 Mo12 151.2(3) . . ?
Mo9 O19 Mo7 154.5(4) . . ?
Mo7 O20 Mo3 120.1(3) . . ?
Mo8 O21 Mo9 152.1(3) . . ?
Mo10 O22 Mo9 121.1(3) . . ?
Mo10 O23 Mo11 150.4(3) . . ?
Mo7 O24 Ag1 101.0(2) . . ?
Mo7 O24 Mo8 147.9(3) . . ?
Mo8 O24 Ag1 109.8(2) . . ?
Mo8 O25 Mo11 120.1(3) . . ?
Mo8 O25 H25 93.7 . . ?
Mo11 O25 H25 95.3 . . ?
Mo11 O26 Mo5 151.2(3) . . ?
Mo5 O31 Mo10 152.7(3) . . ?
Mo12 O34 Mo8 120.1(3) . . ?
Mo5 O35 H35 109.5 . . ?
C2 N1 C1 122.4(11) . . ?
C6 N3 C8 106.2(7) . . ?
C6 N2 Ag1 119.3(6) . . ?
C6 N2 C7 106.2(7) . . ?
C7 N2 Ag1 119.4(6) . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C17 119.1(9) . . ?
C17 C15 H15 120.4 . . ?
C9 C10 H10 119.8 . . ?
C13 C10 H10 119.8 . . ?
C13 C10 C9 120.4(9) . . ?
N1 C2 H2 119.9 . . ?
N1 C2 C3 120.2(12) . . ?
C3 C2 H2 119.9 . . ?
N1 C1 H1 119.4 . . ?
N1 C1 C5 121.3(12) . . ?
C5 C1 H1 119.4 . . ?
C2 C3 H3 121.1 . . ?
C4 C3 C2 117.8(11) . . ?
C4 C3 H3 121.1 . . ?
C1 C5 H5 120.6 . . ?
C1 C5 C4 118.8(11) . . ?
C4 C5 H5 120.6 . . ?
C3 C4 C5 119.5(9) . . ?
C3 C4 C6 120.2(9) . . ?
C5 C4 C6 120.3(9) . . ?
N3 C6 C4 122.6(9) . . ?
N2 C6 N3 112.2(8) . . ?
N2 C6 C4 124.9(8) . . ?
N2 C7 C8 108.6(8) . . ?
N2 C7 C14 121.4(7) . . ?
C8 C7 C14 130.0(8) . . ?
N3 C8 C7 106.6(7) . . ?
N3 C8 C9 119.2(8) . . ?
C7 C8 C9 133.4(8) . . ?
C10 C9 C8 122.2(8) . . ?
C11 C9 C10 116.8(8) . . ?
C11 C9 C8 120.5(8) . . ?
C10A C9 C8 122.2(8) . . ?
C11A C9 C8 120.5(8) . . ?
C11A C9 C10A 116.8(8) . . ?
C9 C11 H11 119.5 . . ?
C12 C11 C9 121.0(9) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.0 . . ?
N5 C12 C11 120.0(9) . . ?
N5 C12 H12 120.0 . . ?
N5 C12 H12A 120.0 . . ?
N5 C12 C11A 120.0(9) . . ?
C11A C12 H12A 120.0 . . ?
C12 N5 C13 121.4(9) . . ?
C10 C13 H13 119.8 . . ?
N5 C13 C10 120.3(9) . . ?
N5 C13 H13 119.8 . . ?
N5 C13 H13A 119.8 . . ?
N5 C13 C10A 120.3(9) . . ?
C10A C13 H13A 119.8 . . ?
C15 C14 C7 120.0(8) . . ?
C15 C14 C16 118.9(8) . . ?
C16 C14 C7 121.0(8) . . ?
C16A C14 C7 121.0(8) . . ?
C15A C14 C7 120.0(8) . . ?
C15A C14 C16A 118.9(8) . . ?
C14 C16 H16 120.8 . . ?
C18 C16 C14 118.4(9) . . ?
C18 C16 H16 120.8 . . ?
C16 C18 H18 119.0 . . ?
N4 C18 C16 122.0(9) . . ?
N4 C18 H18 119.0 . . ?
N4 C18 H18A 119.0 . . ?
N4 C18 C16A 122.0(9) . . ?
C16A C18 H18A 119.0 . . ?
C18 N4 C17 120.4(9) . . ?
C15 C17 H17 119.4 . . ?
N4 C17 C15 121.3(9) . . ?
N4 C17 H17 119.4 . . ?
N4 C17 H17A 119.4 . . ?
N4 C17 C15A 121.3(9) . . ?
C15A C17 H17A 119.4 . . ?
H2WA O2W H2WB 104.4 . . ?
H3WA O3W H3WB 109.5 . . ?
H4WA O4W H4WB 104.5 . . ?
H41A O41 H41B 104.5 . . ?
H42A O42 H42B 104.5 . . ?
C9 C10A H10A 119.8 . . ?
C13 C10A C9 120.4(9) . . ?
C13 C10A H10A 119.8 . . ?
C9 C11A H11A 119.5 . . ?
C12 C11A C9 121.0(9) . . ?
C12 C11A H11A 119.5 . . ?
C14 C16A H16A 120.8 . . ?
C18 C16A C14 118.4(9) . . ?
C18 C16A H16A 120.8 . . ?
C14 C15A C17 119.1(9) . . ?
C14 C15A H15A 120.4 . . ?
C17 C15A H15A 120.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N2 C6 N3 136.0(6) . . . . ?
Ag1 N2 C6 C4 -50.2(11) . . . . ?
Ag1 N2 C7 C8 -138.7(6) . . . . ?
Ag1 N2 C7 C14 40.2(10) . . . . ?
O1 Mo8 O21 Mo9 57.8(7) . . . . ?
O1 Mo8 O25 Mo11 1.7(3) . . . . ?
O1 Mo11 O5 Mo12 -1.9(3) . . . . ?
O1 Mo11 O26 Mo5 51.6(7) . . . . ?
O1 Mo12 O13 Mo3 52.3(7) . . . . ?
O1 Mo12 O34 Mo8 -1.5(3) . . . . ?
O1 Si1 O2 Mo2 177.0(3) . . . . ?
O1 Si1 O2 Mo3 -64.2(4) . . . . ?
O1 Si1 O2 Mo7 57.2(4) . . . . ?
O1 Si1 O3 Mo1 55.5(4) . . . . ?
O1 Si1 O3 Mo4 176.6(3) . . . . ?
O1 Si1 O3 Mo5 -64.8(4) . . . . ?
O1 Si1 O10 Mo6 175.4(3) . . . . ?
O1 Si1 O10 Mo9 -63.9(4) . . . . ?
O1 Si1 O10 Mo10 55.8(4) . . . . ?
O2 Mo2 O14 Mo6 58.7(6) . . . . ?
O2 Mo3 O7 Mo2 1.3(3) . . . . ?
O2 Mo3 O9 Mo1 58.5(6) . . . . ?
O2 Mo7 O20 Mo3 -3.4(3) . . . . ?
O2 Si1 O1 Mo8 -63.7(4) . . . . ?
O2 Si1 O1 Mo11 176.0(3) . . . . ?
O2 Si1 O1 Mo12 56.3(4) . . . . ?
O2 Si1 O3 Mo1 -64.3(4) . . . . ?
O2 Si1 O3 Mo4 56.8(4) . . . . ?
O2 Si1 O3 Mo5 175.4(3) . . . . ?
O2 Si1 O10 Mo6 -64.5(4) . . . . ?
O2 Si1 O10 Mo9 56.2(4) . . . . ?
O2 Si1 O10 Mo10 175.9(3) . . . . ?
O3 Mo1 O15 Mo5 0.8(3) . . . . ?
O3 Mo1 O18 Mo12 51.9(7) . . . . ?
O3 Mo4 O8 Mo1 -0.9(3) . . . . ?
O3 Mo4 O17 Mo2 55.3(6) . . . . ?
O3 Mo5 O4 Mo4 -2.6(3) . . . . ?
O3 Mo5 O31 Mo10 51.5(7) . . . . ?
O3 Si1 O1 Mo8 176.7(3) . . . . ?
O3 Si1 O1 Mo11 56.4(4) . . . . ?
O3 Si1 O1 Mo12 -63.2(4) . . . . ?
O3 Si1 O2 Mo2 -63.4(4) . . . . ?
O3 Si1 O2 Mo3 55.5(4) . . . . ?
O3 Si1 O2 Mo7 176.8(3) . . . . ?
O3 Si1 O10 Mo6 55.1(4) . . . . ?
O3 Si1 O10 Mo9 175.8(3) . . . . ?
O3 Si1 O10 Mo10 -64.4(4) . . . . ?
O4 Mo4 O8 Mo1 72.3(3) . . . . ?
O4 Mo4 O17 Mo2 29.4(11) . . . . ?
O4 Mo5 O31 Mo10 126.8(7) . . . . ?
O5 Mo11 O26 Mo5 126.0(7) . . . . ?
O5 Mo12 O13 Mo3 27.0(12) . . . . ?
O5 Mo12 O34 Mo8 71.1(4) . . . . ?
O6 Mo4 O8 Mo1 0.3(8) . . . . ?
O6 Mo4 O17 Mo2 -28.1(6) . . . . ?
O6 Mo6 O11 Mo10 -83.4(4) . . . . ?
O7 Mo2 O14 Mo6 44.4(11) . . . . ?
O7 Mo3 O9 Mo1 133.9(6) . . . . ?
O8 Mo1 O15 Mo5 74.4(3) . . . . ?
O8 Mo1 O18 Mo12 31.3(12) . . . . ?
O8 Mo4 O17 Mo2 130.7(7) . . . . ?
O9 Mo1 O15 Mo5 13.0(8) . . . . ?
O9 Mo1 O18 Mo12 -30.4(7) . . . . ?
O9 Mo3 O7 Mo2 -83.7(3) . . . . ?
O10 Mo6 O6 Mo4 49.3(7) . . . . ?
O10 Mo6 O11 Mo10 2.1(3) . . . . ?
O10 Mo9 O16 Mo6 -2.7(3) . . . . ?
O10 Mo9 O19 Mo7 47.0(7) . . . . ?
O10 Mo10 O23 Mo11 58.4(7) . . . . ?
O10 Si1 O1 Mo8 56.1(4) . . . . ?
O10 Si1 O1 Mo11 -64.2(4) . . . . ?
O10 Si1 O1 Mo12 176.2(3) . . . . ?
O10 Si1 O2 Mo2 56.6(4) . . . . ?
O10 Si1 O2 Mo3 175.5(3) . . . . ?
O10 Si1 O2 Mo7 -63.2(4) . . . . ?
O10 Si1 O3 Mo1 176.1(3) . . . . ?
O10 Si1 O3 Mo4 -62.8(4) . . . . ?
O10 Si1 O3 Mo5 55.8(4) . . . . ?
O11 Mo6 O6 Mo4 124.3(7) . . . . ?
O11 Mo10 O23 Mo11 43.5(12) . . . . ?
O12 Mo2 O14 Mo6 132.7(6) . . . . ?
O12 Mo7 O20 Mo3 70.5(3) . . . . ?
O13 Mo3 O7 Mo2 6.3(9) . . . . ?
O13 Mo3 O9 Mo1 -24.7(6) . . . . ?
O13 Mo12 O34 Mo8 -85.6(4) . . . . ?
O14 Mo6 O6 Mo4 -33.2(7) . . . . ?
O14 Mo6 O11 Mo10 14.6(9) . . . . ?
O15 Mo1 O18 Mo12 126.0(7) . . . . ?
O15 Mo5 O4 Mo4 70.3(3) . . . . ?
O15 Mo5 O31 Mo10 28.2(12) . . . . ?
O16 Mo6 O6 Mo4 22.8(12) . . . . ?
O16 Mo6 O11 Mo10 75.5(3) . . . . ?
O16 Mo9 O19 Mo7 122.5(8) . . . . ?
O17 Mo2 O14 Mo6 -24.7(6) . . . . ?
O17 Mo4 O8 Mo1 -85.1(3) . . . . ?
O18 Mo1 O15 Mo5 -85.4(3) . . . . ?
O18 Mo12 O13 Mo3 -31.0(7) . . . . ?
O18 Mo12 O34 Mo8 -1.9(9) . . . . ?
O19 Mo7 O20 Mo3 -8.5(9) . . . . ?
O19 Mo9 O16 Mo6 -87.0(3) . . . . ?
O20 Mo3 O7 Mo2 74.5(3) . . . . ?
O20 Mo3 O9 Mo1 37.9(11) . . . . ?
O21 Mo8 O25 Mo11 -83.2(3) . . . . ?
O21 Mo9 O16 Mo6 -2.0(8) . . . . ?
O21 Mo9 O19 Mo7 -34.5(7) . . . . ?
O22 Mo9 O16 Mo6 70.0(3) . . . . ?
O22 Mo9 O19 Mo7 16.9(12) . . . . ?
O22 Mo10 O23 Mo11 132.6(7) . . . . ?
O23 Mo11 O5 Mo12 4.3(9) . . . . ?
O23 Mo11 O26 Mo5 -30.8(7) . . . . ?
O24 Mo7 O20 Mo3 -88.9(3) . . . . ?
O24 Mo8 O21 Mo9 -25.9(7) . . . . ?
O24 Mo8 O25 Mo11 16.5(8) . . . . ?
O25 Mo8 O21 Mo9 132.1(7) . . . . ?
O25 Mo11 O5 Mo12 71.2(4) . . . . ?
O25 Mo11 O26 Mo5 31.6(12) . . . . ?
O26 Mo5 O4 Mo4 -0.8(9) . . . . ?
O26 Mo5 O31 Mo10 -32.1(7) . . . . ?
O26 Mo11 O5 Mo12 -87.5(4) . . . . ?
O27 Mo10 O23 Mo11 -126.6(7) . . . . ?
O28 Mo4 O8 Mo1 173.1(3) . . . . ?
O28 Mo4 O17 Mo2 -126.4(7) . . . . ?
O29 Mo2 O14 Mo6 -125.3(6) . . . . ?
O30 Mo3 O7 Mo2 172.1(3) . . . . ?
O30 Mo3 O9 Mo1 -124.2(6) . . . . ?
O31 Mo5 O4 Mo4 -88.3(3) . . . . ?
O31 Mo10 O23 Mo11 -24.9(7) . . . . ?
O32 Mo6 O6 Mo4 -133.2(7) . . . . ?
O32 Mo6 O11 Mo10 171.0(3) . . . . ?
O33 Mo1 O15 Mo5 168.9(3) . . . . ?
O33 Mo1 O18 Mo12 -129.4(7) . . . . ?
O34 Mo8 O21 Mo9 38.2(12) . . . . ?
O34 Mo8 O25 Mo11 75.0(3) . . . . ?
O34 Mo12 O13 Mo3 127.4(7) . . . . ?
O35 Mo5 O4 Mo4 167.6(3) . . . . ?
O35 Mo5 O31 Mo10 -130.5(7) . . . . ?
O36 Mo9 O16 Mo6 168.8(3) . . . . ?
O36 Mo9 O19 Mo7 -132.3(7) . . . . ?
O37 Mo7 O20 Mo3 169.2(3) . . . . ?
O38 Mo12 O13 Mo3 -129.1(7) . . . . ?
O38 Mo12 O34 Mo8 170.2(4) . . . . ?
O39 Mo8 O21 Mo9 -125.7(7) . . . . ?
O39 Mo8 O25 Mo11 171.3(3) . . . . ?
O40 Mo11 O5 Mo12 166.7(4) . . . . ?
O40 Mo11 O26 Mo5 -130.8(7) . . . . ?
N1 C2 C3 C4 -2.4(15) . . . . ?
N1 C1 C5 C4 -1.6(18) . . . . ?
N3 C8 C9 C10 52.1(12) . . . . ?
N3 C8 C9 C11 -119.9(9) . . . . ?
N3 C8 C9 C10A 52.1(12) . . . . ?
N3 C8 C9 C11A -119.9(9) . . . . ?
N2 C7 C8 N3 2.7(10) . . . . ?
N2 C7 C8 C9 -166.3(9) . . . . ?
N2 C7 C14 C15 27.5(13) . . . . ?
N2 C7 C14 C16 -149.0(8) . . . . ?
N2 C7 C14 C16A -149.0(8) . . . . ?
N2 C7 C14 C15A 27.5(13) . . . . ?
C15 C14 C16 C18 1.2(13) . . . . ?
C10 C9 C11 C12 -4.0(14) . . . . ?
C2 N1 C1 C5 -1.5(19) . . . . ?
C2 C3 C4 C5 -0.6(14) . . . . ?
C2 C3 C4 C6 -177.6(9) . . . . ?
C1 N1 C2 C3 3.5(18) . . . . ?
C1 C5 C4 C3 2.5(15) . . . . ?
C1 C5 C4 C6 179.6(10) . . . . ?
C3 C4 C6 N3 149.3(9) . . . . ?
C3 C4 C6 N2 -23.9(14) . . . . ?
C5 C4 C6 N3 -27.8(13) . . . . ?
C5 C4 C6 N2 159.1(9) . . . . ?
C6 N3 C8 C7 -4.1(9) . . . . ?
C6 N3 C8 C9 166.8(8) . . . . ?
C6 N2 C7 C8 -0.3(9) . . . . ?
C6 N2 C7 C14 178.6(8) . . . . ?
C7 N2 C6 N3 -2.5(10) . . . . ?
C7 N2 C6 C4 171.3(8) . . . . ?
C7 C8 C9 C10 -139.9(11) . . . . ?
C7 C8 C9 C11 48.1(15) . . . . ?
C7 C8 C9 C10A -139.9(11) . . . . ?
C7 C8 C9 C11A 48.1(15) . . . . ?
C7 C14 C16 C18 177.7(8) . . . . ?
C7 C14 C16A C18 177.7(8) . . . . ?
C7 C14 C15A C17 -177.7(8) . . . . ?
C8 N3 C6 N2 4.1(10) . . . . ?
C8 N3 C6 C4 -169.8(8) . . . . ?
C8 C7 C14 C15 -153.9(9) . . . . ?
C8 C7 C14 C16 29.6(14) . . . . ?
C8 C7 C14 C16A 29.6(14) . . . . ?
C8 C7 C14 C15A -153.9(9) . . . . ?
C8 C9 C11 C12 168.4(9) . . . . ?
C8 C9 C10A C13 -170.3(9) . . . . ?
C8 C9 C11A C12 168.4(9) . . . . ?
C9 C10 C13 N5 0.4(14) . . . . ?
C9 C11 C12 N5 3.6(15) . . . . ?
C11 C12 N5 C13 -1.1(15) . . . . ?
C12 N5 C13 C10 -0.9(14) . . . . ?
C12 N5 C13 C10A -0.9(14) . . . . ?
N5 C12 C11A C9 3.6(15) . . . . ?
N5 C13 C10A C9 0.4(14) . . . . ?
C13 C10 C9 C8 -170.3(9) . . . . ?
C13 C10 C9 C11 2.0(14) . . . . ?
C14 C15 C17 N4 0.4(15) . . . . ?
C14 C7 C8 N3 -176.0(8) . . . . ?
C14 C7 C8 C9 14.9(17) . . . . ?
C14 C16 C18 N4 -0.4(15) . . . . ?
C16 C18 N4 C17 -0.4(16) . . . . ?
C18 N4 C17 C15 0.4(16) . . . . ?
C18 N4 C17 C15A 0.4(16) . . . . ?
N4 C18 C16A C14 -0.4(15) . . . . ?
N4 C17 C15A C14 0.4(15) . . . . ?
C17 C15 C14 C7 -177.7(8) . . . . ?
C17 C15 C14 C16 -1.1(13) . . . . ?
C10A C9 C11A C12 -4.0(14) . . . . ?
C11A C9 C10A C13 2.0(14) . . . . ?
C11A C12 N5 C13 -1.1(15) . . . . ?
C16A C14 C15A C17 -1.1(13) . . . . ?
C16A C18 N4 C17 -0.4(16) . . . . ?
C15A C14 C16A C18 1.2(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound-1
_database_code_depnum_ccdc_archive 'CCDC 1957487'
loop_
_audit_author_name
_audit_author_address
wangchen
;The Cambridge Crystallographic date centre
China
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-08-07 downloaded from the CCDC.
;
_audit_creation_date             2020-02-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'O40 P W12, C26 H20 Ag N8, 2(H2 O)'
_chemical_formula_sum            'C26 H24 Ag N8 O42 P W12'
_chemical_formula_weight         3465.57
_chemical_melting_point          ?
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'
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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.367(4)
_cell_length_b                   13.097(5)
_cell_length_c                   20.578(6)
_cell_angle_alpha                90
_cell_angle_beta                 112.338(16)
_cell_angle_gamma                90
_cell_volume                     2833.6(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2607
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.513
_cell_measurement_theta_min      2.276
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.718
_exptl_absorpt_correction_T_max  0.025
_exptl_absorpt_correction_T_min  0.013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1098 before and 0.0487 after correction.
The Ratio of minimum to maximum transmission is 0.4826.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    4.062
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3044
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16733
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         1.887
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3752
_reflns_number_total             5278
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.251
_refine_diff_density_min         -1.975
_refine_diff_density_rms         0.259
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         5278
_refine_ls_number_restraints     156
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.007
_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)+(0.0203P)²+33.4632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0844
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
O1W \\sim O2W: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O1W) \\sim Ueq, Uanis(O2W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Rigid body (RIGU) restrains
 N1, Ag1, C3, C1, C2, C4, N2, C9, C5, N3, N4, C10, C6, C8, C13, C11, C7, C12
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.001
4. Others
 Sof(O2W)=Sof(H2WA)=Sof(H2WB)=1-FVAR(1)
 Sof(O1W)=Sof(H1WA)=Sof(H1WB)=FVAR(1)
 Fixed Sof: O13(0.5) O18(0.5) O12(0.5) O19(0.5)
5.a Everything fixed:
 O1W, H1WA, H1WB, H2WA, H2WB
5.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C12(H12), C13(H13), N2(H2), C1(H1), C5(H5), C6(H6),
 C8(H8), C7(H7)
5.c Fitted hexagon refined as free rotating group:
 N4(C9,C10,C11,C12,C13)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
W4 W 0.78703(5) 0.58323(5) 0.48672(3) 0.03883(17) Uani 1 1 d . . . . .
W6 W 0.52381(6) 0.51206(5) 0.33245(3) 0.03990(17) Uani 1 1 d . . . . .
W5 W 0.77149(6) 0.34138(5) 0.56057(4) 0.04295(18) Uani 1 1 d . . . . .
W1 W 0.49344(6) 0.72686(5) 0.59144(4) 0.04509(19) Uani 1 1 d . . . . .
W2 W 0.76511(5) 0.56818(5) 0.65417(3) 0.04187(18) Uani 1 1 d . . . . .
W3 W 0.51284(6) 0.73953(5) 0.42275(4) 0.04408(18) Uani 1 1 d . . . . .
Ag1 Ag 0.500000 1.000000 0.500000 0.0488(4) Uani 1 2 d S TU P . .
P1 P 0.500000 0.500000 0.500000 0.0217(10) Uani 1 2 d S T P . .
N4 N 1.0152(8) 0.7964(8) 0.5993(4) 0.054(3) Uani 1 1 d . U . . .
C9 C 0.9796(7) 0.8334(7) 0.6525(5) 0.042(3) Uani 1 1 d G U . . .
C10 C 1.0497(10) 0.8074(9) 0.7220(4) 0.071(6) Uani 1 1 d G U . . .
H10 H 1.025887 0.832168 0.757607 0.085 Uiso 1 1 calc R . . . .
C11 C 1.1554(10) 0.7443(10) 0.7384(4) 0.089(7) Uani 1 1 d G U . . .
H11 H 1.202330 0.726896 0.784939 0.107 Uiso 1 1 calc R . . . .
C12 C 1.1910(9) 0.7073(9) 0.6853(6) 0.082(6) Uani 1 1 d G U . . .
H12 H 1.261759 0.665101 0.696214 0.098 Uiso 1 1 calc R . . . .
C13 C 1.1209(9) 0.7333(8) 0.6157(5) 0.063(4) Uani 1 1 d G U . . .
H13 H 1.144744 0.708576 0.580157 0.076 Uiso 1 1 calc R . . . .
N1 N 0.6906(11) 0.9862(10) 0.5779(7) 0.047(3) Uani 1 1 d . U . . .
O10 O 0.6517(10) 0.5110(9) 0.6919(7) 0.075(4) Uani 1 1 d . . . . .
O20 O 0.5368(10) 0.5153(9) 0.2554(5) 0.059(3) Uani 1 1 d . . . . .
O16 O 0.8199(12) 0.4464(9) 0.5136(6) 0.069(4) Uani 1 1 d . . . . .
O11 O 0.8051(12) 0.4348(9) 0.6355(7) 0.073(4) Uani 1 1 d . . . . .
N2 N 0.8136(11) 0.9191(10) 0.6791(7) 0.049(3) Uani 1 1 d . U . . .
H2 H 0.841187 0.903018 0.722825 0.059 Uiso 1 1 calc R . . . .
O3 O 0.6649(11) 0.6873(9) 0.6362(8) 0.083(4) Uani 1 1 d . . . . .
C2 C 0.8678(13) 0.8956(12) 0.6325(8) 0.043(3) Uani 1 1 d . U . . .
O1 O 0.4885(11) 0.8339(9) 0.6341(7) 0.068(4) Uani 1 1 d . . . . .
C4 C 0.8074(13) 0.9462(11) 0.5033(8) 0.040(3) Uani 1 1 d . U . . .
O15 O 0.6919(12) 0.5355(9) 0.3938(7) 0.088(5) Uani 1 1 d . . . . .
C3 C 0.7912(13) 0.9386(10) 0.5702(8) 0.039(3) Uani 1 1 d . U . . .
O22 O 0.5474(11) 0.3738(9) 0.3544(7) 0.081(5) Uani 1 1 d . . . . .
O8 O 0.9209(10) 0.6225(9) 0.4801(7) 0.068(4) Uani 1 1 d . . . . .
O14 O 0.4911(11) 0.6507(9) 0.3484(6) 0.079(4) Uani 1 1 d . . . . .
O4 O 0.5333(11) 0.7766(11) 0.5174(6) 0.083(4) Uani 1 1 d . . . . .
O7 O 0.6846(12) 0.7014(10) 0.4594(6) 0.087(4) Uani 1 1 d . . . . .
O21 O 0.6771(12) 0.2839(11) 0.4722(6) 0.081(4) Uani 1 1 d . . . . .
O6 O 0.3395(11) 0.7241(12) 0.4035(7) 0.088(5) Uani 1 1 d . . . . .
C1 C 0.7058(13) 0.9738(13) 0.6422(9) 0.051(4) Uani 1 1 d . U . . .
H1 H 0.650190 0.998925 0.661800 0.061 Uiso 1 1 calc R . . . .
O9 O 0.8184(11) 0.6101(9) 0.5816(6) 0.066(3) Uani 1 1 d . . . . .
O17 O 0.9000(11) 0.2709(10) 0.5912(7) 0.083(4) Uani 1 1 d . . . . .
C5 C 0.7394(16) 1.0133(15) 0.4510(8) 0.065(5) Uani 1 1 d . U . . .
H5 H 0.683279 1.057696 0.459805 0.078 Uiso 1 1 calc R . . . .
C6 C 0.7496(17) 1.0185(16) 0.3864(10) 0.077(6) Uani 1 1 d . U . . .
H6 H 0.703059 1.064537 0.351731 0.092 Uiso 1 1 calc R . . . .
O13 O 0.5631(14) 0.5591(13) 0.4548(8) 0.023(4) Uani 0.5 1 d . . . . .
O18 O 0.5523(13) 0.3916(11) 0.5094(9) 0.019(4) Uani 0.5 1 d . . . . .
C8 C 0.9011(18) 0.8843(15) 0.4258(10) 0.070(5) Uani 1 1 d . U . . .
H8 H 0.955288 0.838209 0.416818 0.084 Uiso 1 1 calc R . . . .
C7 C 0.8354(18) 0.9491(15) 0.3770(10) 0.069(5) Uani 1 1 d . U . . .
H7 H 0.846146 0.948932 0.334452 0.083 Uiso 1 1 calc R . . . .
O12 O 0.6371(14) 0.4969(15) 0.5337(9) 0.032(4) Uani 0.5 1 d . . . . .
O19 O 0.4518(16) 0.4497(13) 0.4264(9) 0.031(4) Uani 0.5 1 d . . . . .
O2 O 0.8879(11) 0.5981(10) 0.7262(6) 0.079(4) Uani 1 1 d . . . . .
O5 O 0.5201(11) 0.8525(8) 0.3877(7) 0.069(4) Uani 1 1 d . . . . .
N3 N 0.8906(12) 0.8842(10) 0.4895(8) 0.056(3) Uani 1 1 d . U . . .
O1W O 0.876310 0.911300 0.819680 0.082 Uani 0.5348 1 d . U . A 1
H1WA H 0.817870 0.926260 0.830640 0.124 Uiso 0.5348 1 d . . . A 1
H1WB H 0.931660 0.884690 0.856150 0.124 Uiso 0.5348 1 d . . . A 1
O2W O 0.835(2) 0.842(2) 0.8076(13) 0.076(6) Uani 0.47(2) 1 d . U . A 2
H2WA H 0.792490 0.859400 0.832680 0.114 Uiso 0.4652 1 d . . . A 2
H2WB H 0.903060 0.817490 0.836830 0.114 Uiso 0.4652 1 d . . . A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W4 O16 1.870(12) . ?
W4 O15 1.909(12) . ?
W4 O8 1.661(9) . ?
W4 O7 1.890(12) . ?
W4 O9 1.879(11) . ?
W4 O13 2.396(15) . ?
W4 O12 2.523(16) . ?
W6 O10 1.887(10) 3_666 ?
W6 O20 1.647(10) . ?
W6 O15 1.872(12) . ?
W6 O22 1.860(11) . ?
W6 O14 1.907(11) . ?
W6 O13 2.462(15) . ?
W6 O19 2.506(16) . ?
W5 O16 1.880(11) . ?
W5 O11 1.889(12) . ?
W5 O21 1.882(12) . ?
W5 O6 1.893(11) 3_666 ?
W5 O17 1.638(10) . ?
W5 O18 2.399(14) . ?
W5 O12 2.479(17) . ?
W1 O3 1.884(12) . ?
W1 O1 1.666(11) . ?
W1 O22 1.894(10) 3_666 ?
W1 O4 1.863(11) . ?
W1 O21 1.888(12) 3_666 ?
W1 O18 2.482(16) 3_666 ?
W1 O19 2.459(17) 3_666 ?
W2 O10 1.894(10) . ?
W2 O11 1.882(12) . ?
W2 O3 1.884(12) . ?
W2 O9 1.894(10) . ?
W2 O12 2.528(17) . ?
W2 O19 2.403(17) 3_666 ?
W2 O2 1.651(11) . ?
W3 O14 1.861(11) . ?
W3 O4 1.935(12) . ?
W3 O7 1.873(12) . ?
W3 O6 1.867(11) . ?
W3 O13 2.462(17) . ?
W3 O18 2.497(15) 3_666 ?
W3 O5 1.662(10) . ?
Ag1 N1 2.158(12) . ?
Ag1 N1 2.158(12) 3_676 ?
P1 O13 1.577(14) 3_666 ?
P1 O13 1.577(14) . ?
P1 O18 1.523(15) 3_666 ?
P1 O18 1.523(15) . ?
P1 O12 1.446(15) 3_666 ?
P1 O12 1.446(15) . ?
P1 O19 1.548(17) . ?
P1 O19 1.548(17) 3_666 ?
N4 C9 1.3900 . ?
N4 C13 1.3900 . ?
C9 C10 1.3900 . ?
C9 C2 1.432(15) . ?
C10 H10 0.9300 . ?
C10 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C13 1.3900 . ?
C13 H13 0.9300 . ?
N1 C3 1.364(16) . ?
N1 C1 1.277(19) . ?
N2 H2 0.8600 . ?
N2 C2 1.358(17) . ?
N2 C1 1.371(18) . ?
C2 C3 1.37(2) . ?
C4 C3 1.46(2) . ?
C4 C5 1.38(2) . ?
C4 N3 1.357(17) . ?
C1 H1 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.38(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.40(2) . ?
O13 O12 1.72(2) . ?
O18 O12 1.65(2) . ?
C8 H8 0.9300 . ?
C8 C7 1.31(2) . ?
C8 N3 1.36(2) . ?
C7 H7 0.9300 . ?
O12 O19 1.68(2) 3_666 ?
O1W H1WA 0.8028 . ?
O1W H1WB 0.8495 . ?
O2W H2WA 0.8586 . ?
O2W H2WB 0.8440 . ?

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
_geom_angle_publ_flag
O16 W4 O15 87.5(5) . . ?
O16 W4 O7 154.7(6) . . ?
O16 W4 O9 86.2(5) . . ?
O16 W4 O13 91.5(6) . . ?
O16 W4 O12 63.0(5) . . ?
O15 W4 O13 62.8(5) . . ?
O15 W4 O12 91.6(6) . . ?
O8 W4 O16 103.6(6) . . ?
O8 W4 O15 102.0(6) . . ?
O8 W4 O7 101.7(6) . . ?
O8 W4 O9 102.1(5) . . ?
O8 W4 O13 158.4(6) . . ?
O8 W4 O12 160.7(6) . . ?
O7 W4 O15 85.4(5) . . ?
O7 W4 O13 63.7(6) . . ?
O7 W4 O12 93.0(6) . . ?
O9 W4 O15 155.9(6) . . ?
O9 W4 O7 90.5(5) . . ?
O9 W4 O13 94.1(5) . . ?
O9 W4 O12 64.9(5) . . ?
O13 W4 O12 40.9(5) . . ?
O10 W6 O14 86.7(5) 3_666 . ?
O10 W6 O13 94.3(5) 3_666 . ?
O10 W6 O19 62.0(6) 3_666 . ?
O20 W6 O10 102.7(6) . 3_666 ?
O20 W6 O15 101.7(6) . . ?
O20 W6 O22 101.7(6) . . ?
O20 W6 O14 103.6(6) . . ?
O20 W6 O13 158.4(5) . . ?
O20 W6 O19 157.8(6) . . ?
O15 W6 O10 155.5(6) . 3_666 ?
O15 W6 O14 86.7(5) . . ?
O15 W6 O13 61.8(5) . . ?
O15 W6 O19 94.7(6) . . ?
O22 W6 O10 87.1(5) . 3_666 ?
O22 W6 O15 88.8(6) . . ?
O22 W6 O14 154.7(6) . . ?
O22 W6 O13 92.4(6) . . ?
O22 W6 O19 63.5(5) . . ?
O14 W6 O13 63.7(6) . . ?
O14 W6 O19 92.0(6) . . ?
O13 W6 O19 43.8(5) . . ?
O16 W5 O11 86.4(5) . . ?
O16 W5 O21 88.1(5) . . ?
O16 W5 O6 154.3(6) . 3_666 ?
O16 W5 O18 91.8(5) . . ?
O16 W5 O12 63.9(5) . . ?
O11 W5 O6 86.1(5) . 3_666 ?
O11 W5 O18 92.0(5) . . ?
O11 W5 O12 64.3(6) . . ?
O21 W5 O11 155.7(6) . . ?
O21 W5 O6 88.7(5) . 3_666 ?
O21 W5 O18 64.5(6) . . ?
O21 W5 O12 92.1(6) . . ?
O6 W5 O18 63.9(6) 3_666 . ?
O6 W5 O12 90.8(6) 3_666 . ?
O17 W5 O16 102.6(6) . . ?
O17 W5 O11 100.2(7) . . ?
O17 W5 O21 104.1(7) . . ?
O17 W5 O6 102.9(6) . 3_666 ?
O17 W5 O18 161.6(6) . . ?
O17 W5 O12 158.8(7) . . ?
O18 W5 O12 39.4(5) . . ?
O3 W1 O22 87.7(5) . 3_666 ?
O3 W1 O21 156.6(6) . 3_666 ?
O3 W1 O18 95.0(6) . 3_666 ?
O3 W1 O19 62.7(6) . 3_666 ?
O1 W1 O3 102.1(6) . . ?
O1 W1 O22 102.2(6) . 3_666 ?
O1 W1 O4 101.7(6) . . ?
O1 W1 O21 101.3(6) . 3_666 ?
O1 W1 O18 158.1(6) . 3_666 ?
O1 W1 O19 158.6(6) . 3_666 ?
O22 W1 O18 92.1(6) 3_666 3_666 ?
O22 W1 O19 64.2(5) 3_666 3_666 ?
O4 W1 O3 88.2(5) . . ?
O4 W1 O22 156.0(6) . 3_666 ?
O4 W1 O21 87.9(5) . 3_666 ?
O4 W1 O18 64.8(5) . 3_666 ?
O4 W1 O19 93.0(6) . 3_666 ?
O21 W1 O22 86.5(5) 3_666 3_666 ?
O21 W1 O18 62.6(5) 3_666 3_666 ?
O21 W1 O19 94.5(6) 3_666 3_666 ?
O19 W1 O18 43.2(5) 3_666 3_666 ?
O10 W2 O9 155.4(6) . . ?
O10 W2 O12 91.6(6) . . ?
O10 W2 O19 64.2(6) . 3_666 ?
O11 W2 O10 88.4(5) . . ?
O11 W2 O3 154.7(6) . . ?
O11 W2 O9 86.2(5) . . ?
O11 W2 O12 63.3(6) . . ?
O11 W2 O19 91.9(6) . 3_666 ?
O3 W2 O10 87.3(4) . . ?
O3 W2 O9 87.5(5) . . ?
O3 W2 O12 91.9(6) . . ?
O3 W2 O19 63.9(6) . 3_666 ?
O9 W2 O12 64.6(5) . . ?
O9 W2 O19 92.0(5) . 3_666 ?
O19 W2 O12 39.7(5) 3_666 . ?
O2 W2 O10 101.5(6) . . ?
O2 W2 O11 102.5(6) . . ?
O2 W2 O3 102.8(7) . . ?
O2 W2 O9 103.0(6) . . ?
O2 W2 O12 160.6(6) . . ?
O2 W2 O19 159.7(6) . 3_666 ?
O14 W3 O4 155.8(6) . . ?
O14 W3 O7 87.5(5) . . ?
O14 W3 O6 87.6(6) . . ?
O14 W3 O13 64.2(5) . . ?
O14 W3 O18 93.1(6) . 3_666 ?
O4 W3 O13 92.6(6) . . ?
O4 W3 O18 63.7(5) . 3_666 ?
O7 W3 O4 87.4(5) . . ?
O7 W3 O13 62.4(6) . . ?
O7 W3 O18 94.4(6) . 3_666 ?
O6 W3 O4 87.4(5) . . ?
O6 W3 O7 155.6(7) . . ?
O6 W3 O13 94.1(6) . . ?
O6 W3 O18 62.0(5) . 3_666 ?
O13 W3 O18 43.8(5) . 3_666 ?
O5 W3 O14 102.3(6) . . ?
O5 W3 O4 101.9(6) . . ?
O5 W3 O7 101.3(6) . . ?
O5 W3 O6 103.1(6) . . ?
O5 W3 O13 157.9(5) . . ?
O5 W3 O18 158.3(5) . 3_666 ?
N1 Ag1 N1 180.0 . 3_676 ?
O13 P1 O13 180.0(8) 3_666 . ?
O18 P1 O13 106.8(8) 3_666 3_666 ?
O18 P1 O13 106.8(8) . . ?
O18 P1 O13 73.2(8) 3_666 . ?
O18 P1 O13 73.2(8) . 3_666 ?
O18 P1 O18 180.0 3_666 . ?
O18 P1 O19 107.3(9) . 3_666 ?
O18 P1 O19 72.7(9) . . ?
O18 P1 O19 72.8(9) 3_666 3_666 ?
O18 P1 O19 107.3(9) 3_666 . ?
O12 P1 O13 69.4(9) 3_666 3_666 ?
O12 P1 O13 69.4(9) . . ?
O12 P1 O13 110.6(9) 3_666 . ?
O12 P1 O13 110.6(9) . 3_666 ?
O12 P1 O18 112.6(9) 3_666 . ?
O12 P1 O18 112.6(9) . 3_666 ?
O12 P1 O18 67.4(9) 3_666 3_666 ?
O12 P1 O18 67.4(9) . . ?
O12 P1 O12 180.0 . 3_666 ?
O12 P1 O19 111.9(9) . . ?
O12 P1 O19 68.1(9) 3_666 . ?
O12 P1 O19 111.9(9) 3_666 3_666 ?
O12 P1 O19 68.1(9) . 3_666 ?
O19 P1 O13 72.7(8) 3_666 3_666 ?
O19 P1 O13 72.7(8) . . ?
O19 P1 O13 107.3(9) . 3_666 ?
O19 P1 O13 107.3(9) 3_666 . ?
O19 P1 O19 180.0 3_666 . ?
C9 N4 C13 120.0 . . ?
N4 C9 C2 117.6(8) . . ?
C10 C9 N4 120.0 . . ?
C10 C9 C2 122.4(8) . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
N4 C13 H13 120.0 . . ?
C12 C13 N4 120.0 . . ?
C12 C13 H13 120.0 . . ?
C3 N1 Ag1 127.0(10) . . ?
C1 N1 Ag1 118.9(10) . . ?
C1 N1 C3 105.8(13) . . ?
W6 O10 W2 140.3(7) 3_666 . ?
W4 O16 W5 142.0(6) . . ?
W2 O11 W5 141.1(7) . . ?
C2 N2 H2 126.9 . . ?
C2 N2 C1 106.1(13) . . ?
C1 N2 H2 126.9 . . ?
W1 O3 W2 139.4(8) . . ?
N2 C2 C9 121.1(13) . . ?
N2 C2 C3 105.6(12) . . ?
C3 C2 C9 133.2(13) . . ?
C5 C4 C3 123.1(13) . . ?
N3 C4 C3 120.3(14) . . ?
N3 C4 C5 116.6(14) . . ?
W6 O15 W4 140.7(8) . . ?
N1 C3 C2 110.0(13) . . ?
N1 C3 C4 119.4(14) . . ?
C2 C3 C4 130.4(13) . . ?
W6 O22 W1 140.9(6) . 3_666 ?
W3 O14 W6 139.7(7) . . ?
W1 O4 W3 139.6(7) . . ?
W3 O7 W4 140.2(8) . . ?
W5 O21 W1 139.3(7) . 3_666 ?
W3 O6 W5 140.5(8) . 3_666 ?
N1 C1 N2 112.3(13) . . ?
N1 C1 H1 123.8 . . ?
N2 C1 H1 123.8 . . ?
W4 O9 W2 140.7(7) . . ?
C4 C5 H5 118.1 . . ?
C4 C5 C6 123.8(17) . . ?
C6 C5 H5 118.1 . . ?
C5 C6 H6 122.6 . . ?
C5 C6 C7 114.7(18) . . ?
C7 C6 H6 122.6 . . ?
W4 O13 W6 94.3(5) . . ?
W4 O13 W3 93.5(5) . . ?
W3 O13 W6 91.9(5) . . ?
P1 O13 W4 125.2(9) . . ?
P1 O13 W6 122.3(8) . . ?
P1 O13 W3 121.2(8) . . ?
P1 O13 O12 51.7(7) . . ?
O12 O13 W4 73.5(8) . . ?
O12 O13 W6 132.8(10) . . ?
O12 O13 W3 133.3(10) . . ?
W5 O18 W1 92.8(5) . 3_666 ?
W5 O18 W3 92.6(5) . 3_666 ?
W1 O18 W3 91.4(5) 3_666 3_666 ?
P1 O18 W5 127.0(8) . . ?
P1 O18 W1 121.9(9) . 3_666 ?
P1 O18 W3 121.8(7) . 3_666 ?
P1 O18 O12 54.1(7) . . ?
O12 O18 W5 72.9(8) . . ?
O12 O18 W1 133.6(10) . 3_666 ?
O12 O18 W3 132.0(10) . 3_666 ?
C7 C8 H8 119.8 . . ?
C7 C8 N3 120.4(17) . . ?
N3 C8 H8 119.8 . . ?
C6 C7 H7 118.6 . . ?
C8 C7 C6 122.7(18) . . ?
C8 C7 H7 118.6 . . ?
W4 O12 W2 89.4(6) . . ?
W5 O12 W4 90.3(5) . . ?
W5 O12 W2 90.5(5) . . ?
P1 O12 W4 124.4(10) . . ?
P1 O12 W5 126.2(11) . . ?
P1 O12 W2 125.0(9) . . ?
P1 O12 O13 58.9(8) . . ?
P1 O12 O18 58.5(8) . . ?
P1 O12 O19 58.9(8) . 3_666 ?
O13 O12 W4 65.6(7) . . ?
O13 O12 W5 129.6(10) . . ?
O13 O12 W2 130.0(11) . . ?
O18 O12 W4 131.4(10) . . ?
O18 O12 W5 67.6(8) . . ?
O18 O12 W2 131.2(11) . . ?
O18 O12 O13 95.1(12) . . ?
O18 O12 O19 96.1(11) . 3_666 ?
O19 O12 W4 128.4(12) 3_666 . ?
O19 O12 W5 131.9(11) 3_666 . ?
O19 O12 W2 66.2(8) 3_666 . ?
O19 O12 O13 95.5(11) 3_666 . ?
W1 O19 W6 90.9(5) 3_666 . ?
W2 O19 W6 92.8(6) 3_666 . ?
W2 O19 W1 93.3(6) 3_666 3_666 ?
P1 O19 W6 121.2(9) . . ?
P1 O19 W1 122.1(9) . 3_666 ?
P1 O19 W2 127.3(9) . 3_666 ?
P1 O19 O12 53.1(8) . 3_666 ?
O12 O19 W6 132.5(11) 3_666 . ?
O12 O19 W1 134.3(11) 3_666 3_666 ?
O12 O19 W2 74.2(8) 3_666 3_666 ?
C4 N3 C8 121.6(16) . . ?
H1WA O1W H1WB 105.4 . . ?
H2WA O2W H2WB 104.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W4 O13 O12 W5 -68.4(11) . . . . ?
W4 O13 O12 W2 66.7(10) . . . . ?
W4 O13 O12 P1 178.3(9) . . . . ?
W4 O13 O12 O18 -133.5(9) . . . . ?
W4 O13 O12 O19 129.9(10) . . . 3_666 ?
W6 O13 O12 W4 80.3(11) . . . . ?
W6 O13 O12 W5 12(2) . . . . ?
W6 O13 O12 W2 147.0(9) . . . . ?
W6 O13 O12 P1 -101.4(12) . . . . ?
W6 O13 O12 O18 -53.1(14) . . . . ?
W6 O13 O12 O19 -149.7(11) . . . 3_666 ?
W5 O18 O12 W4 69.2(11) . . . . ?
W5 O18 O12 W2 -69.6(10) . . . . ?
W5 O18 O12 P1 179.4(8) . . . . ?
W5 O18 O12 O13 130.9(9) . . . . ?
W5 O18 O12 O19 -133.0(10) . . . 3_666 ?
W1 O18 O12 W4 -8(2) 3_666 . . . ?
W1 O18 O12 W5 -77.1(11) 3_666 . . . ?
W1 O18 O12 W2 -146.7(9) 3_666 . . . ?
W1 O18 O12 P1 102.3(13) 3_666 . . . ?
W1 O18 O12 O13 53.8(15) 3_666 . . . ?
W1 O18 O12 O19 149.8(12) 3_666 . . 3_666 ?
W3 O13 O12 W4 -78.9(10) . . . . ?
W3 O13 O12 W5 -147.3(9) . . . . ?
W3 O13 O12 W2 -12.3(19) . . . . ?
W3 O13 O12 P1 99.4(12) . . . . ?
W3 O13 O12 O18 147.6(11) . . . . ?
W3 O13 O12 O19 51.0(15) . . . 3_666 ?
W3 O18 O12 W4 146.9(8) 3_666 . . . ?
W3 O18 O12 W5 77.7(10) 3_666 . . . ?
W3 O18 O12 W2 8.0(19) 3_666 . . . ?
W3 O18 O12 P1 -102.9(11) 3_666 . . . ?
W3 O18 O12 O13 -151.4(10) 3_666 . . . ?
W3 O18 O12 O19 -55.4(15) 3_666 . . 3_666 ?
Ag1 N1 C3 C2 -146.7(11) . . . . ?
Ag1 N1 C3 C4 37.7(19) . . . . ?
Ag1 N1 C1 N2 150.4(10) . . . . ?
P1 O13 O12 W4 -178.3(9) . . . . ?
P1 O13 O12 W5 113.3(14) . . . . ?
P1 O13 O12 W2 -111.6(12) . . . . ?
P1 O13 O12 O18 48.2(7) . . . . ?
P1 O13 O12 O19 -48.4(8) . . . 3_666 ?
P1 O18 O12 W4 -110.2(13) . . . . ?
P1 O18 O12 W5 -179.4(8) . . . . ?
P1 O18 O12 W2 111.0(12) . . . . ?
P1 O18 O12 O13 -48.5(8) . . . . ?
P1 O18 O12 O19 47.6(8) . . . 3_666 ?
N4 C9 C10 C11 0.0 . . . . ?
N4 C9 C2 N2 167.8(11) . . . . ?
N4 C9 C2 C3 -9(2) . . . . ?
C9 N4 C13 C12 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C9 C2 C3 N1 176.0(15) . . . . ?
C9 C2 C3 C4 -9(3) . . . . ?
C10 C9 C2 N2 -10.4(18) . . . . ?
C10 C9 C2 C3 173.0(14) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 N4 0.0 . . . . ?
C13 N4 C9 C10 0.0 . . . . ?
C13 N4 C9 C2 -178.2(11) . . . . ?
O10 W6 O15 W4 -20(2) 3_666 . . . ?
O10 W6 O22 W1 -52.3(13) 3_666 . . 3_666 ?
O10 W2 O11 W5 103.1(11) . . . . ?
O10 W2 O3 W1 -52.8(11) . . . . ?
O10 W2 O9 W4 -23.4(19) . . . . ?
O20 W6 O15 W4 157.7(12) . . . . ?
O20 W6 O22 W1 -154.7(12) . . . 3_666 ?
O16 W4 O7 W3 -19(2) . . . . ?
O16 W4 O9 W2 -53.9(11) . . . . ?
O16 W5 O11 W2 52.1(11) . . . . ?
O16 W5 O21 W1 -103.1(11) . . . 3_666 ?
O11 W5 O16 W4 -52.5(12) . . . . ?
O11 W5 O21 W1 -26.2(19) . . . 3_666 ?
O11 W2 O10 W6 -101.9(12) . . . 3_666 ?
O11 W2 O3 W1 27.7(18) . . . . ?
O11 W2 O9 W4 54.2(11) . . . . ?
N2 C2 C3 N1 -1.0(17) . . . . ?
N2 C2 C3 C4 174.0(14) . . . . ?
O3 W1 O4 W3 103.7(12) . . . . ?
O3 W2 O10 W6 53.2(12) . . . 3_666 ?
O3 W2 O11 W5 22.9(18) . . . . ?
O3 W2 O9 W4 -101.3(11) . . . . ?
C2 C9 C10 C11 178.1(12) . . . . ?
C2 N2 C1 N1 -0.6(19) . . . . ?
O1 W1 O3 W2 154.4(10) . . . . ?
O1 W1 O4 W3 -154.3(11) . . . . ?
C4 C5 C6 C7 0(3) . . . . ?
O15 W4 O16 W5 -103.6(12) . . . . ?
O15 W4 O7 W3 55.6(12) . . . . ?
O15 W4 O9 W2 21(2) . . . . ?
O15 W6 O22 W1 103.6(13) . . . 3_666 ?
C3 N1 C1 N2 0.0(19) . . . . ?
C3 C4 C5 C6 -177.2(17) . . . . ?
C3 C4 N3 C8 175.2(15) . . . . ?
O22 W6 O15 W4 -100.6(12) . . . . ?
O22 W1 O3 W2 52.4(11) 3_666 . . . ?
O22 W1 O4 W3 24(2) 3_666 . . . ?
O8 W4 O16 W5 154.7(11) . . . . ?
O8 W4 O7 W3 156.9(11) . . . . ?
O8 W4 O9 W2 -157.0(11) . . . . ?
O14 W6 O15 W4 54.5(12) . . . . ?
O14 W6 O22 W1 24(2) . . . 3_666 ?
O14 W3 O7 W4 -55.8(12) . . . . ?
O14 W3 O6 W5 105.6(13) . . . 3_666 ?
O4 W1 O3 W2 -104.0(11) . . . . ?
O4 W3 O14 W6 -25(2) . . . . ?
O4 W3 O7 W4 100.5(12) . . . . ?
O4 W3 O6 W5 -50.7(13) . . . 3_666 ?
O7 W4 O16 W5 -30.0(19) . . . . ?
O7 W4 O9 W2 101.0(11) . . . . ?
O7 W3 O14 W6 52.6(11) . . . . ?
O7 W3 O6 W5 27(2) . . . 3_666 ?
O21 W5 O16 W4 103.9(12) . . . . ?
O21 W5 O11 W2 -25.2(19) . . . . ?
O21 W1 O3 W2 -23.3(19) 3_666 . . . ?
O21 W1 O4 W3 -53.1(12) 3_666 . . . ?
O6 W5 O16 W4 21(2) 3_666 . . . ?
O6 W5 O11 W2 -103.3(11) 3_666 . . . ?
O6 W5 O21 W1 51.4(12) 3_666 . . 3_666 ?
O6 W3 O14 W6 -103.5(12) . . . . ?
O6 W3 O7 W4 23(2) . . . . ?
C1 N1 C3 C2 0.6(18) . . . . ?
C1 N1 C3 C4 -175.0(14) . . . . ?
C1 N2 C2 C9 -176.5(13) . . . . ?
C1 N2 C2 C3 0.9(17) . . . . ?
O9 W4 O16 W5 53.1(11) . . . . ?
O9 W4 O7 W3 -100.7(11) . . . . ?
O9 W2 O10 W6 -25(2) . . . 3_666 ?
O9 W2 O11 W5 -52.9(11) . . . . ?
O9 W2 O3 W1 103.2(11) . . . . ?
O17 W5 O16 W4 -152.1(12) . . . . ?
O17 W5 O11 W2 154.2(10) . . . . ?
O17 W5 O21 W1 154.4(11) . . . 3_666 ?
C5 C4 C3 N1 12(2) . . . . ?
C5 C4 C3 C2 -162.9(17) . . . . ?
C5 C4 N3 C8 -4(2) . . . . ?
C5 C6 C7 C8 0(3) . . . . ?
O13 W4 O16 W5 -40.9(12) . . . . ?
O13 W4 O7 W3 -6.3(10) . . . . ?
O13 W4 O9 W2 37.4(11) . . . . ?
O13 W6 O15 W4 -7.3(10) . . . . ?
O13 W6 O22 W1 41.9(13) . . . 3_666 ?
O13 W3 O14 W6 -7.8(9) . . . . ?
O13 W3 O7 W4 6.2(10) . . . . ?
O13 W3 O6 W5 41.7(13) . . . 3_666 ?
O13 P1 O18 W5 -122.4(12) 3_666 . . . ?
O13 P1 O18 W5 57.6(12) . . . . ?
O13 P1 O18 W1 -65.1(10) . . . 3_666 ?
O13 P1 O18 W1 114.9(10) 3_666 . . 3_666 ?
O13 P1 O18 W3 -0.1(8) 3_666 . . 3_666 ?
O13 P1 O18 W3 179.9(8) . . . 3_666 ?
O13 P1 O18 O12 58.4(10) . . . . ?
O13 P1 O18 O12 -121.6(10) 3_666 . . . ?
O13 P1 O12 W4 -178.1(9) 3_666 . . . ?
O13 P1 O12 W4 1.9(9) . . . . ?
O13 P1 O12 W5 61.3(12) 3_666 . . . ?
O13 P1 O12 W5 -118.7(12) . . . . ?
O13 P1 O12 W2 119.6(14) . . . . ?
O13 P1 O12 W2 -60.4(14) 3_666 . . . ?
O13 P1 O12 O13 179.999(4) 3_666 . . . ?
O13 P1 O12 O18 60.6(10) 3_666 . . . ?
O13 P1 O12 O18 -119.4(10) . . . . ?
O13 P1 O12 O19 119.6(11) . . . 3_666 ?
O13 P1 O12 O19 -60.4(11) 3_666 . . 3_666 ?
O13 P1 O19 W6 -179.3(9) 3_666 . . . ?
O13 P1 O19 W6 0.7(9) . . . . ?
O13 P1 O19 W1 114.3(11) . . . 3_666 ?
O13 P1 O19 W1 -65.7(11) 3_666 . . 3_666 ?
O13 P1 O19 W2 58.4(13) 3_666 . . 3_666 ?
O13 P1 O19 W2 -121.6(13) . . . 3_666 ?
O13 P1 O19 O12 58.4(11) 3_666 . . 3_666 ?
O13 P1 O19 O12 -121.6(11) . . . 3_666 ?
O18 W5 O16 W4 39.4(12) . . . . ?
O18 W5 O11 W2 -39.6(11) . . . . ?
O18 W5 O21 W1 -10.2(10) . . . 3_666 ?
O18 W1 O3 W2 -39.4(11) 3_666 . . . ?
O18 W1 O4 W3 7.4(10) 3_666 . . . ?
O18 W3 O14 W6 -41.7(11) 3_666 . . . ?
O18 W3 O7 W4 37.1(12) 3_666 . . . ?
O18 W3 O6 W5 10.7(11) 3_666 . . 3_666 ?
O18 P1 O13 W4 -59.1(12) . . . . ?
O18 P1 O13 W4 120.9(12) 3_666 . . . ?
O18 P1 O13 W6 64.5(11) . . . . ?
O18 P1 O13 W6 -115.4(11) 3_666 . . . ?
O18 P1 O13 W3 179.9(9) . . . . ?
O18 P1 O13 W3 -0.1(9) 3_666 . . . ?
O18 P1 O13 O12 122.9(10) 3_666 . . . ?
O18 P1 O13 O12 -57.1(10) . . . . ?
O18 P1 O12 W4 121.3(13) . . . . ?
O18 P1 O12 W4 -58.7(13) 3_666 . . . ?
O18 P1 O12 W5 0.7(9) . . . . ?
O18 P1 O12 W5 -179.3(9) 3_666 . . . ?
O18 P1 O12 W2 -121.0(13) . . . . ?
O18 P1 O12 W2 59.0(13) 3_666 . . . ?
O18 P1 O12 O13 -60.6(10) 3_666 . . . ?
O18 P1 O12 O13 119.4(10) . . . . ?
O18 P1 O12 O18 180.002(2) 3_666 . . . ?
O18 P1 O12 O19 -120.9(11) . . . 3_666 ?
O18 P1 O12 O19 59.1(11) 3_666 . . 3_666 ?
O18 P1 O19 W6 66.3(11) 3_666 . . . ?
O18 P1 O19 W6 -113.7(11) . . . . ?
O18 P1 O19 W1 179.9(8) 3_666 . . 3_666 ?
O18 P1 O19 W1 -0.1(8) . . . 3_666 ?
O18 P1 O19 W2 -56.0(13) 3_666 . . 3_666 ?
O18 P1 O19 W2 124.0(13) . . . 3_666 ?
O18 P1 O19 O12 -56.0(10) 3_666 . . 3_666 ?
O18 P1 O19 O12 124.0(10) . . . 3_666 ?
C7 C8 N3 C4 4(3) . . . . ?
O12 W4 O16 W5 -10.5(10) . . . . ?
O12 W4 O7 W3 -35.9(12) . . . . ?
O12 W4 O9 W2 7.9(10) . . . . ?
O12 W5 O16 W4 10.6(10) . . . . ?
O12 W5 O11 W2 -10.6(9) . . . . ?
O12 W5 O21 W1 -39.3(11) . . . 3_666 ?
O12 W2 O10 W6 -38.7(12) . . . 3_666 ?
O12 W2 O11 W5 10.5(9) . . . . ?
O12 W2 O3 W1 38.8(11) . . . . ?
O12 W2 O9 W4 -7.9(10) . . . . ?
O12 P1 O13 W4 -2.0(10) . . . . ?
O12 P1 O13 W4 178.0(10) 3_666 . . . ?
O12 P1 O13 W6 121.7(12) . . . . ?
O12 P1 O13 W6 -58.3(12) 3_666 . . . ?
O12 P1 O13 W3 -123.0(12) . . . . ?
O12 P1 O13 W3 57.0(12) 3_666 . . . ?
O12 P1 O13 O12 179.999(5) 3_666 . . . ?
O12 P1 O18 W5 179.3(10) 3_666 . . . ?
O12 P1 O18 W5 -0.7(10) . . . . ?
O12 P1 O18 W1 56.5(11) 3_666 . . 3_666 ?
O12 P1 O18 W1 -123.5(11) . . . 3_666 ?
O12 P1 O18 W3 -58.4(12) 3_666 . . 3_666 ?
O12 P1 O18 W3 121.6(12) . . . 3_666 ?
O12 P1 O18 O12 180.001(2) 3_666 . . . ?
O12 P1 O19 W6 122.3(13) 3_666 . . . ?
O12 P1 O19 W6 -57.7(13) . . . . ?
O12 P1 O19 W1 55.9(13) . . . 3_666 ?
O12 P1 O19 W1 -124.1(13) 3_666 . . 3_666 ?
O12 P1 O19 W2 180.0(11) . . . 3_666 ?
O12 P1 O19 W2 0.0(11) 3_666 . . 3_666 ?
O12 P1 O19 O12 180.000(6) . . . 3_666 ?
O19 W6 O15 W4 -37.3(12) . . . . ?
O19 W6 O22 W1 7.8(11) . . . 3_666 ?
O19 W1 O3 W2 -9.6(9) 3_666 . . . ?
O19 W1 O4 W3 41.2(12) 3_666 . . . ?
O19 W2 O10 W6 -9.1(10) 3_666 . . 3_666 ?
O19 W2 O11 W5 39.0(11) 3_666 . . . ?
O19 W2 O3 W1 9.7(9) 3_666 . . . ?
O19 W2 O9 W4 -37.5(11) 3_666 . . . ?
O19 P1 O13 W4 -124.4(12) . . . . ?
O19 P1 O13 W4 55.6(12) 3_666 . . . ?
O19 P1 O13 W6 179.3(9) 3_666 . . . ?
O19 P1 O13 W6 -0.7(9) . . . . ?
O19 P1 O13 W3 114.7(11) . . . . ?
O19 P1 O13 W3 -65.3(11) 3_666 . . . ?
O19 P1 O13 O12 57.6(11) 3_666 . . . ?
O19 P1 O13 O12 -122.4(11) . . . . ?
O19 P1 O18 W5 -57.1(12) 3_666 . . . ?
O19 P1 O18 W5 122.9(12) . . . . ?
O19 P1 O18 W1 0.1(8) . . . 3_666 ?
O19 P1 O18 W1 -179.9(8) 3_666 . . 3_666 ?
O19 P1 O18 W3 -114.9(11) . . . 3_666 ?
O19 P1 O18 W3 65.2(11) 3_666 . . 3_666 ?
O19 P1 O18 O12 -56.4(10) 3_666 . . . ?
O19 P1 O18 O12 123.6(10) . . . . ?
O19 P1 O12 W4 -117.7(14) 3_666 . . . ?
O19 P1 O12 W4 62.3(14) . . . . ?
O19 P1 O12 W5 -58.4(13) . . . . ?
O19 P1 O12 W5 121.6(13) 3_666 . . . ?
O19 P1 O12 W2 0.0(10) 3_666 . . . ?
O19 P1 O12 W2 180.0(10) . . . . ?
O19 P1 O12 O13 -119.6(11) 3_666 . . . ?
O19 P1 O12 O13 60.4(11) . . . . ?
O19 P1 O12 O18 120.9(11) 3_666 . . . ?
O19 P1 O12 O18 -59.1(11) . . . . ?
O19 P1 O12 O19 180.001(7) . . . 3_666 ?
O2 W2 O10 W6 155.6(11) . . . 3_666 ?
O2 W2 O11 W5 -155.4(10) . . . . ?
O2 W2 O3 W1 -154.0(10) . . . . ?
O2 W2 O9 W4 156.2(11) . . . . ?
O5 W3 O14 W6 153.6(11) . . . . ?
O5 W3 O7 W4 -157.9(11) . . . . ?
O5 W3 O6 W5 -152.4(12) . . . 3_666 ?
N3 C4 C3 N1 -167.0(13) . . . . ?
N3 C4 C3 C2 18(2) . . . . ?
N3 C4 C5 C6 2(3) . . . . ?
N3 C8 C7 C6 -2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound-4
_database_code_depnum_ccdc_archive 'CCDC 1957493'
loop_
_audit_author_name
_audit_author_address
mhc
;The Cambridge Crystallographic date centre
China
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-10-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2.5(C28 H16 Ag2 N8 S4), 2(Mo12 O40 P), Ag, 2(C14 H8 N4 S2), 6(H2 O)'
_chemical_formula_sum            'C98 H68 Ag6 Mo24 N28 O86 P2 S14'
_chemical_formula_weight         6474.36
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.563(6)
_cell_length_b                   25.768(6)
_cell_length_c                   27.347(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.734(5)
_cell_angle_gamma                90
_cell_volume                     15893(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3770
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      50.284
_cell_measurement_theta_min      2.4
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.853
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1082 before and 0.0461 after correction.
The Ratio of minimum to maximum transmission is 0.4426.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.706
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             12336
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1007
_diffrn_reflns_av_unetI/netI     0.0991
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            42789
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.142
_diffrn_reflns_theta_max         25.142
_diffrn_reflns_theta_min         1.200
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8462
_reflns_number_total             13864
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.18C (?, 2016)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         2.291
_refine_diff_density_min         -2.180
_refine_diff_density_rms         0.330
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1138
_refine_ls_number_reflns         13864
_refine_ls_number_restraints     209
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0770
_refine_ls_restrained_S_all      1.043
_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)+(0.1118P)²+233.3726P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1908
_refine_ls_wR_factor_ref         0.2246
_refine_special_details          ?
_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. Restrained distances
 C45-N14
 2.5 with sigma of 0.02
 C45-C44
 1.45 with sigma of 0.02
 C49-C48
 1.3 with sigma of 0.02
 C47-C46
 1.3 with sigma of 0.02
 N14-C49
 1.34 with sigma of 0.02
3. Rigid bond restraints
 O14, N14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O40, N14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
O14 \\sim O40: within 3.8A with sigma of 0.02 and sigma for terminal atoms of
0.02
N14: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.03
Uanis(O17) \\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(C44) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O17) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C33) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O40) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O14) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O11) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(N13) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(C3) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
Uanis(N14) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.001
Uanis(O24) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O40) \\sim Ueq, Uanis(N6)
\\sim Ueq, Uanis(N8) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(N11) \\sim Ueq, Uanis(C45) \\sim Ueq,
Uanis(C41) \\sim Ueq, Uanis(N12) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N7) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O17) \\sim Ueq, Uanis(C48) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O1W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Everything fixed:
 O1W, H1WA, H1WB, O3W, H3WA, H3WB, O2W, H2WA, H2WB
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C28(H28), C25(H25), C27(H27), C46(H46), C37(H37), C38(H38), C26(H26),
 C32(H32), C3(H3), C4(H4), C2(H2), C14(H14), C48(H48), C13(H13), C11(H11),
 C12(H12), C16(H16), C31(H31), C40(H40), C15(H15), C18(H18), C29(H29), C49(H49),
  C47(H47), C17(H17), C30(H30), C36(H36)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag3 Ag 0.95594(6) 0.24646(4) 0.46951(4) 0.0329(3) Uani 1 1 d . . . . .
Ag4 Ag 1.05031(6) 0.15384(4) 0.53136(5) 0.0343(3) Uani 1 1 d . . . . .
Mo9 Mo 1.09725(6) -0.14429(4) 0.30282(5) 0.0197(3) Uani 1 1 d . . . . .
Mo5 Mo 1.09813(6) 0.05792(5) 0.29460(5) 0.0209(3) Uani 1 1 d . . . . .
Mo4 Mo 1.05932(6) 0.05813(5) 0.17303(5) 0.0216(3) Uani 1 1 d . . . . .
Mo1 Mo 0.90386(6) 0.25194(5) 0.19832(5) 0.0251(3) Uani 1 1 d . . . . .
Mo10 Mo 1.09385(6) -0.33235(5) 0.30811(5) 0.0269(3) Uani 1 1 d . . . . .
Mo3 Mo 1.15113(6) 0.15127(5) 0.21983(5) 0.0264(3) Uani 1 1 d . . . . .
Mo8 Mo 1.15303(6) -0.23594(5) 0.22531(5) 0.0249(3) Uani 1 1 d . . . . .
Mo12 Mo 0.94411(6) -0.33994(5) 0.32372(5) 0.0246(3) Uani 1 1 d . . . . .
Mo2 Mo 1.05023(6) 0.25205(5) 0.17162(5) 0.0265(3) Uani 1 1 d . . . . .
Ag1 Ag 1.000000 -0.04176(7) 0.250000 0.0479(6) Uani 1 2 d S T P . .
Mo7 Mo 1.06383(6) -0.13932(5) 0.18016(5) 0.0274(3) Uani 1 1 d . . . . .
Mo6 Mo 1.04192(7) 0.15906(5) 0.37503(5) 0.0266(3) Uani 1 1 d . . . . .
Mo11 Mo 1.02475(7) -0.24239(5) 0.37621(5) 0.0326(4) Uani 1 1 d . . . . .
Ag2 Ag 0.750000 0.250000 0.500000 0.0715(8) Uani 1 2 d S T P A 1
P1 P 1.000000 0.15406(15) 0.250000 0.0055(9) Uani 1 2 d S T P . .
P2 P 1.000000 -0.23800(17) 0.250000 0.0115(10) Uani 1 2 d S T P . .
S1 S 1.34295(19) 0.43564(14) 0.47180(14) 0.0271(9) Uani 1 1 d . . . . .
S6 S 0.66423(19) -0.03741(15) 0.53259(15) 0.0314(10) Uani 1 1 d . . . . .
S2 S 1.2696(2) 0.36292(15) 0.58843(15) 0.0320(10) Uani 1 1 d . . . . .
S5 S 0.7379(2) 0.03811(16) 0.41792(16) 0.0414(12) Uani 1 1 d . . . . .
S7 S 0.5350(2) 0.03840(17) 0.44175(17) 0.0419(11) Uani 1 1 d . . . . .
S4 S 0.5797(2) 0.01931(17) 0.3100(2) 0.0535(14) Uani 1 1 d . . . . .
S3 S 0.4683(2) -0.10409(18) 0.3199(3) 0.0651(17) Uani 1 1 d . . . . .
O17 O 1.0144(4) 0.1886(3) 0.2944(3) 0.0101(18) Uani 1 1 d . U . . .
O11 O 1.0536(4) 0.1201(3) 0.2392(3) 0.0136(19) Uani 1 1 d . U . . .
O33 O 1.0100(4) -0.2723(3) 0.2950(3) 0.020(2) Uani 1 1 d . . . . .
O15 O 1.0885(4) 0.1110(3) 0.3409(3) 0.018(2) Uani 1 1 d . . . . .
O12 O 1.0896(4) 0.0234(3) 0.2309(3) 0.014(2) Uani 1 1 d . U . . .
O16 O 1.0962(4) 0.2136(3) 0.3610(3) 0.017(2) Uani 1 1 d . . . . .
O5 O 1.0701(4) 0.2707(3) 0.2364(3) 0.019(2) Uani 1 1 d . . . . .
O8 O 1.1309(4) 0.0972(3) 0.1733(3) 0.017(2) Uani 1 1 d . . . . .
O13 O 1.1617(4) 0.0973(3) 0.2666(3) 0.018(2) Uani 1 1 d . . . . .
O2 O 0.8594(4) 0.1992(3) 0.2288(3) 0.020(2) Uani 1 1 d . . . . .
O23 O 1.0909(4) -0.1069(4) 0.2396(4) 0.026(2) Uani 1 1 d . . . . .
O18 O 0.9852(4) 0.2126(3) 0.3826(3) 0.021(2) Uani 1 1 d . . . . .
O3 O 0.9755(4) 0.2851(3) 0.1763(3) 0.020(2) Uani 1 1 d . . . . .
O31 O 1.0723(4) -0.3548(3) 0.2413(3) 0.022(2) Uani 1 1 d . . . . .
O27 O 1.0544(4) -0.2040(3) 0.2434(3) 0.019(2) Uani 1 1 d . . . . .
O7 O 1.0741(5) 0.0137(3) 0.1310(3) 0.024(2) Uani 1 1 d . . . . .
O26 O 1.1606(4) -0.1811(4) 0.2773(3) 0.025(2) Uani 1 1 d . U . . .
O19 O 0.9798(4) 0.1104(3) 0.3642(3) 0.019(2) Uani 1 1 d . . . . .
O4 O 1.0865(4) 0.2959(3) 0.1389(4) 0.025(2) Uani 1 1 d . . . . .
O32 O 1.0848(5) -0.2948(4) 0.3658(4) 0.031(3) Uani 1 1 d . . . . .
O10 O 0.9807(4) 0.0384(3) 0.1933(3) 0.018(2) Uani 1 1 d . . . . .
O25 O 1.1165(5) -0.2839(4) 0.1861(4) 0.027(2) Uani 1 1 d . . . . .
O30 O 1.1391(5) -0.2816(4) 0.2796(4) 0.030(3) Uani 1 1 d . . . . .
O21 O 1.0839(5) -0.0964(4) 0.1402(4) 0.030(3) Uani 1 1 d . . . . .
O22 O 1.1369(5) -0.1804(3) 0.1830(4) 0.026(2) Uani 1 1 d . . . . .
O36 O 1.0200(5) -0.3687(4) 0.3249(4) 0.031(3) Uani 1 1 d . . . . .
O37 O 0.9699(5) -0.2964(4) 0.3782(4) 0.028(2) Uani 1 1 d . . . . .
O29 O 1.0802(5) -0.1941(4) 0.3484(4) 0.028(2) Uani 1 1 d . . . . .
O14 O 1.1379(4) 0.0131(3) 0.3245(3) 0.023(2) Uani 1 1 d . U . . .
O35 O 1.0359(5) -0.2332(4) 0.4354(4) 0.037(3) Uani 1 1 d . . . . .
O6 O 1.1081(4) 0.1986(3) 0.1798(3) 0.020(2) Uani 1 1 d . . . . .
O39 O 1.1433(5) -0.3772(3) 0.3259(4) 0.027(2) Uani 1 1 d . . . . .
N5 N 0.5199(6) -0.1904(4) 0.4713(4) 0.021(3) Uani 1 1 d . . . . .
O28 O 1.0151(4) -0.1213(4) 0.3084(4) 0.026(2) Uani 1 1 d . . . . .
O20 O 1.0597(5) 0.1482(3) 0.4333(3) 0.024(2) Uani 1 1 d . . . . .
N1 N 1.1155(5) 0.2144(4) 0.5305(4) 0.022(3) Uani 1 1 d . . . . .
O1 O 0.8535(5) 0.2971(4) 0.1844(4) 0.029(3) Uani 1 1 d . U . . .
O38 O 0.9051(5) -0.3840(4) 0.3540(4) 0.033(3) Uani 1 1 d . . . . .
O24 O 1.2251(5) -0.2449(4) 0.2165(4) 0.032(3) Uani 1 1 d . U . . .
O34 O 0.9674(4) -0.1924(4) 0.3604(4) 0.027(2) Uani 1 1 d . . . . .
N7 N 0.7406(6) 0.0456(4) 0.5159(5) 0.027(3) Uani 1 1 d . U . . .
O40 O 1.1343(5) -0.0994(4) 0.3360(4) 0.031(2) Uani 1 1 d . U . . .
N2 N 1.2634(6) 0.3560(4) 0.4931(5) 0.027(3) Uani 1 1 d . . . . .
O9 O 1.2207(4) 0.1624(3) 0.2049(4) 0.028(2) Uani 1 1 d . U . . .
N13 N 0.4605(7) -0.0020(6) 0.3228(5) 0.045(4) Uani 1 1 d . U . . .
N8 N 0.8865(6) 0.1886(5) 0.4731(5) 0.029(3) Uani 1 1 d . U . . .
N3 N 1.3475(6) 0.4449(4) 0.5676(4) 0.025(3) Uani 1 1 d . . . . .
N4 N 1.4867(6) 0.5915(4) 0.5292(4) 0.026(3) Uani 1 1 d . . . . .
N10 N 0.5401(7) 0.0451(5) 0.5384(5) 0.040(4) Uani 1 1 d . . . . .
N6 N 0.6615(6) -0.0448(4) 0.4354(5) 0.032(3) Uani 1 1 d . U . . .
C44 C 0.4287(6) -0.0486(5) 0.3243(5) 0.025(3) Uani 1 1 d D U . . .
C39 C 0.6836(7) -0.0384(5) 0.3008(6) 0.025(3) Uani 1 1 d . . . . .
C41 C 0.6200(7) -0.0388(5) 0.3067(5) 0.023(3) Uani 1 1 d . U . . .
N11 N 0.8043(6) -0.0422(5) 0.2899(5) 0.037(3) Uani 1 1 d . U . . .
N12 N 0.5878(7) -0.0847(6) 0.3073(5) 0.047(4) Uani 1 1 d . U . . .
C24 C 0.5995(7) -0.1092(5) 0.4757(5) 0.021(3) Uani 1 1 d . U . . .
C9 C 1.2416(7) 0.3361(5) 0.5339(5) 0.021(3) Uani 1 1 d . U . . .
C5 C 1.4086(6) 0.5087(5) 0.5264(5) 0.019(3) Uani 1 1 d . U . . .
C1 C 1.4695(7) 0.5708(5) 0.4867(5) 0.022(3) Uani 1 1 d . U . . .
H1 H 1.484218 0.584121 0.457864 0.026 Uiso 1 1 calc R . . . .
N9 N 0.6827(7) 0.1902(5) 0.4994(6) 0.043(4) Uani 1 1 d . . . . .
C23 C 0.6413(6) -0.0652(5) 0.4769(5) 0.018(3) Uani 1 1 d . U . . .
C10 C 1.1987(7) 0.2934(5) 0.5344(6) 0.025(3) Uani 1 1 d . . . . .
C28 C 0.5324(7) -0.1687(6) 0.5151(5) 0.031(4) Uani 1 1 d . . . . .
H28 H 0.513319 -0.179667 0.542938 0.037 Uiso 1 1 calc R . . . .
C21 C 0.7044(8) 0.0052(6) 0.5005(6) 0.031(4) Uani 1 1 d . . . . .
C25 C 0.5753(7) -0.1289(5) 0.5179(5) 0.025(3) Uani 1 1 d . . . . .
H25 H 0.587394 -0.115750 0.548246 0.030 Uiso 1 1 calc R . . . .
C45 C 0.3627(6) -0.0471(6) 0.3313(6) 0.031(4) Uani 1 1 d D U . . .
C27 C 0.5432(8) -0.1729(5) 0.4311(5) 0.030(4) Uani 1 1 d . . . . .
H27 H 0.531216 -0.187532 0.401363 0.036 Uiso 1 1 calc R . . . .
C46 C 0.3344(7) -0.0001(6) 0.3358(6) 0.040(4) Uani 1 1 d D . . . .
H46 H 0.355373 0.030933 0.335650 0.048 Uiso 1 1 calc R . . . .
C42 C 0.5185(7) -0.0161(5) 0.3165(6) 0.028(4) Uani 1 1 d . . . . .
C6 C 1.3674(7) 0.4647(5) 0.5267(5) 0.021(3) Uani 1 1 d . . . . .
C43 C 0.5297(8) -0.0678(6) 0.3144(7) 0.038(4) Uani 1 1 d . . . . .
C33 C 0.6019(7) 0.1099(6) 0.4971(6) 0.031(4) Uani 1 1 d . U . . .
C37 C 0.7753(7) 0.0032(6) 0.2906(6) 0.030(4) Uani 1 1 d . . . . .
H37 H 0.796628 0.033891 0.287535 0.036 Uiso 1 1 calc R . . . .
C38 C 0.7163(7) 0.0057(5) 0.2957(6) 0.031(4) Uani 1 1 d . . . . .
H38 H 0.697567 0.037809 0.295778 0.037 Uiso 1 1 calc R . . . .
N14 N 0.2466(6) -0.0445(5) 0.3397(5) 0.039(4) Uani 1 1 d D U . B 1
C19 C 0.8039(7) 0.1093(5) 0.4730(5) 0.023(3) Uani 1 1 d . . . . .
C34 C 0.5610(8) 0.0671(6) 0.4964(6) 0.035(4) Uani 1 1 d . . . . .
C35 C 0.5041(8) 0.0051(6) 0.5241(6) 0.037(4) Uani 1 1 d . . . . .
C26 C 0.5842(8) -0.1342(6) 0.4312(5) 0.031(4) Uani 1 1 d . . . . .
H26 H 0.601885 -0.124326 0.402359 0.037 Uiso 1 1 calc R . . . .
C32 C 0.6229(9) 0.1306(7) 0.4549(7) 0.049(5) Uani 1 1 d . . . . .
H32 H 0.609860 0.117290 0.424884 0.059 Uiso 1 1 calc R . . . .
C3 C 1.4289(7) 0.5300(5) 0.5711(6) 0.028(4) Uani 1 1 d . U . . .
H3 H 1.416615 0.516147 0.600505 0.034 Uiso 1 1 calc R . . . .
C4 C 1.4301(7) 0.5299(5) 0.4847(5) 0.028(4) Uani 1 1 d . . . . .
H4 H 1.418056 0.516399 0.454467 0.034 Uiso 1 1 calc R . . . .
C22 C 0.6978(7) -0.0043(5) 0.4512(6) 0.027(4) Uani 1 1 d . . . . .
C2 C 1.4673(8) 0.5719(6) 0.5710(6) 0.034(4) Uani 1 1 d . . . . .
H2 H 1.479912 0.586602 0.600603 0.041 Uiso 1 1 calc R . . . .
C8 C 1.3010(7) 0.3954(5) 0.5061(6) 0.025(3) Uani 1 1 d . . . . .
C14 C 1.1352(7) 0.2351(5) 0.4906(5) 0.024(3) Uani 1 1 d . . . . .
H14 H 1.119974 0.222572 0.460865 0.028 Uiso 1 1 calc R . . . .
C48 C 0.3310(7) -0.0931(7) 0.3304(7) 0.043(4) Uani 1 1 d D U . . .
H48 H 0.349880 -0.124792 0.325850 0.052 Uiso 1 1 calc R . . . .
C20 C 0.7624(8) 0.0658(6) 0.4737(6) 0.032(4) Uani 1 1 d . U . . .
C13 C 1.1383(7) 0.2340(5) 0.5736(5) 0.028(4) Uani 1 1 d . U . . .
H13 H 1.125248 0.220013 0.602728 0.033 Uiso 1 1 calc R . . . .
C11 C 1.1789(7) 0.2727(6) 0.5758(6) 0.031(4) Uani 1 1 d . . . . .
H11 H 1.192931 0.284932 0.605964 0.037 Uiso 1 1 calc R . . . .
C12 C 1.1764(7) 0.2739(5) 0.4892(5) 0.025(3) Uani 1 1 d . . . . .
H12 H 1.189316 0.286992 0.459701 0.030 Uiso 1 1 calc R . . . .
C7 C 1.3100(7) 0.4046(5) 0.5550(5) 0.024(3) Uani 1 1 d . . . . .
C16 C 0.8653(8) 0.1668(6) 0.4313(6) 0.040(5) Uani 1 1 d . . . . .
H16 H 0.879154 0.178963 0.401794 0.048 Uiso 1 1 calc R . . . .
C31 C 0.6219(9) 0.1318(6) 0.5409(7) 0.045(5) Uani 1 1 d . . . . .
H31 H 0.607667 0.119895 0.570401 0.054 Uiso 1 1 calc R . . . .
C40 C 0.7170(8) -0.0851(6) 0.3018(8) 0.052(5) Uani 1 1 d . . . . .
H40 H 0.697414 -0.116218 0.307328 0.062 Uiso 1 1 calc R . . . .
C15 C 0.8656(7) 0.1708(6) 0.5141(5) 0.031(4) Uani 1 1 d . . . . .
H15 H 0.879421 0.185605 0.543340 0.038 Uiso 1 1 calc R . . . .
C18 C 0.8244(8) 0.1314(6) 0.5164(6) 0.033(4) Uani 1 1 d . U . . .
H18 H 0.810802 0.120015 0.546331 0.039 Uiso 1 1 calc R . . . .
C29 C 0.6631(9) 0.1710(7) 0.4563(7) 0.047(5) Uani 1 1 d . . . . .
H29 H 0.676657 0.184869 0.427358 0.056 Uiso 1 1 calc R . . . .
C49 C 0.2732(7) -0.0907(6) 0.3362(7) 0.044(5) Uani 1 1 d D U . . .
H49 H 0.251035 -0.121066 0.337792 0.053 Uiso 1 1 calc R . . B 1
C47 C 0.2754(7) -0.0010(7) 0.3404(6) 0.041(4) Uani 1 1 d D . . . .
H47 H 0.254874 0.030006 0.344145 0.049 Uiso 1 1 calc R . . B 1
C17 C 0.8243(8) 0.1276(6) 0.4303(6) 0.038(4) Uani 1 1 d . U . . .
H17 H 0.810595 0.113784 0.400647 0.045 Uiso 1 1 calc R . . . .
C30 C 0.6627(8) 0.1710(7) 0.5403(7) 0.047(5) Uani 1 1 d . . . . .
H30 H 0.676761 0.184617 0.569921 0.056 Uiso 1 1 calc R . . . .
C36 C 0.7736(9) -0.0860(7) 0.2954(9) 0.068(7) Uani 1 1 d . . . . .
H36 H 0.793279 -0.117678 0.294670 0.082 Uiso 1 1 calc R . . . .
O1W O 0.290260 -0.211130 0.311460 0.075 Uani 1 1 d . U . . .
H1WA H 0.302820 -0.219190 0.283480 0.112 Uiso 1 1 d . . . . .
H1WB H 0.263660 -0.189240 0.301260 0.112 Uiso 1 1 d . . . . .
O3W O 0.707920 0.271950 0.390190 0.093 Uani 1 1 d . . . . .
H3WA H 0.705880 0.285760 0.356170 0.139 Uiso 1 1 d . . . . .
H3WB H 0.671330 0.264710 0.386280 0.139 Uiso 1 1 d . . . . .
O2W O 0.289990 0.105250 0.290590 0.109 Uani 1 1 d . . . . .
H2WA H 0.290360 0.130090 0.270140 0.163 Uiso 1 1 d . . . . .
H2WB H 0.279880 0.119330 0.317190 0.163 Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag3 N5 2.173(11) 3 ?
Ag3 N8 2.168(12) . ?
Ag4 N1 2.146(12) . ?
Ag4 N4 2.155(12) 3_445 ?
Mo9 O23 1.981(10) . ?
Mo9 O27 2.418(9) . ?
Mo9 O26 1.867(10) . ?
Mo9 O29 1.838(10) . ?
Mo9 O28 1.956(10) . ?
Mo9 O40 1.679(10) . ?
Mo5 O11 2.404(8) . ?
Mo5 O15 1.879(9) . ?
Mo5 O12 1.961(9) . ?
Mo5 O13 1.934(9) . ?
Mo5 O10 1.888(10) 2_755 ?
Mo5 O14 1.664(9) . ?
Mo4 O11 2.420(8) . ?
Mo4 O12 1.925(9) . ?
Mo4 O8 1.904(9) . ?
Mo4 O7 1.662(9) . ?
Mo4 O19 1.890(9) 2_755 ?
Mo4 O10 1.941(9) . ?
Mo1 O17 2.467(8) 2_755 ?
Mo1 O16 1.899(9) 2_755 ?
Mo1 O5 1.924(9) 2_755 ?
Mo1 O2 1.897(10) . ?
Mo1 O3 1.940(10) . ?
Mo1 O1 1.662(9) . ?
Mo10 O33 2.462(9) . ?
Mo10 O31 1.962(9) . ?
Mo10 O32 1.869(10) . ?
Mo10 O30 1.846(10) . ?
Mo10 O36 1.977(11) . ?
Mo10 O39 1.668(9) . ?
Mo3 O11 2.416(9) . ?
Mo3 O8 1.932(9) . ?
Mo3 O13 1.899(9) . ?
Mo3 O2 1.891(9) 2_755 ?
Mo3 O6 1.887(9) . ?
Mo3 O9 1.658(10) . ?
Mo8 O27 2.437(9) . ?
Mo8 O26 2.009(10) . ?
Mo8 O25 1.817(10) . ?
Mo8 O30 1.928(10) . ?
Mo8 O22 1.869(9) . ?
Mo8 O24 1.667(11) . ?
Mo12 O33 2.436(9) . ?
Mo12 O31 1.847(9) 2_755 ?
Mo12 O25 2.002(10) 2_755 ?
Mo12 O36 1.865(11) . ?
Mo12 O37 1.940(9) . ?
Mo12 O38 1.673(10) . ?
Mo2 O17 2.396(8) 2_755 ?
Mo2 O5 1.877(9) . ?
Mo2 O18 1.950(9) 2_755 ?
Mo2 O3 1.897(9) . ?
Mo2 O4 1.671(9) . ?
Mo2 O6 1.907(9) . ?
Mo7 O23 1.913(10) . ?
Mo7 O27 2.415(9) . ?
Mo7 O21 1.628(10) . ?
Mo7 O22 1.959(10) . ?
Mo7 O28 1.876(10) 2_755 ?
Mo7 O34 1.885(10) 2_755 ?
Mo6 O17 2.397(8) . ?
Mo6 O15 1.890(9) . ?
Mo6 O16 1.912(9) . ?
Mo6 O18 1.897(9) . ?
Mo6 O19 1.898(9) . ?
Mo6 O20 1.655(10) . ?
Mo11 O33 2.365(9) . ?
Mo11 O32 1.939(11) . ?
Mo11 O37 1.864(9) . ?
Mo11 O29 1.937(10) . ?
Mo11 O35 1.648(10) . ?
Mo11 O34 1.866(10) . ?
Ag2 N9 2.163(14) . ?
Ag2 N9 2.163(14) 7_656 ?
P1 O17 1.532(8) . ?
P1 O17 1.532(8) 2_755 ?
P1 O11 1.529(9) 2_755 ?
P1 O11 1.529(9) . ?
P2 O33 1.526(9) 2_755 ?
P2 O33 1.526(9) . ?
P2 O27 1.524(9) . ?
P2 O27 1.524(9) 2_755 ?
S1 C6 1.751(14) . ?
S1 C8 1.703(15) . ?
S6 C23 1.747(14) . ?
S6 C21 1.687(15) . ?
S2 C9 1.746(14) . ?
S2 C7 1.694(14) . ?
S5 C22 1.700(14) . ?
S5 C20 1.758(16) . ?
S7 C34 1.752(16) . ?
S7 C35 1.720(17) 5_656 ?
S4 C41 1.755(15) . ?
S4 C42 1.669(15) . ?
S3 C44 1.693(14) . ?
S3 C43 1.682(18) . ?
N5 C28 1.345(18) . ?
N5 C27 1.313(18) . ?
N1 C14 1.305(18) . ?
N1 C13 1.365(19) . ?
N7 C21 1.382(18) . ?
N7 C20 1.37(2) . ?
N2 C9 1.335(18) . ?
N2 C8 1.364(17) . ?
N13 C44 1.399(19) . ?
N13 C42 1.37(2) . ?
N8 C16 1.35(2) . ?
N8 C15 1.313(18) . ?
N3 C6 1.320(18) . ?
N3 C7 1.378(18) . ?
N4 C1 1.324(17) . ?
N4 C2 1.337(19) . ?
N10 C34 1.38(2) . ?
N10 C35 1.36(2) . ?
N6 C23 1.343(19) . ?
N6 C22 1.387(18) . ?
C44 C45 1.510(15) . ?
C39 C41 1.45(2) . ?
C39 C38 1.364(19) . ?
C39 C40 1.42(2) . ?
C41 N12 1.39(2) . ?
N11 C37 1.34(2) . ?
N11 C36 1.33(2) . ?
N12 C43 1.40(2) . ?
C24 C23 1.473(18) . ?
C24 C25 1.39(2) . ?
C24 C26 1.41(2) . ?
C9 C10 1.465(19) . ?
C5 C6 1.466(18) . ?
C5 C3 1.40(2) . ?
C5 C4 1.367(19) . ?
C1 H1 0.9300 . ?
C1 C4 1.38(2) . ?
N9 C29 1.34(2) . ?
N9 C30 1.31(2) . ?
C10 C11 1.34(2) . ?
C10 C12 1.41(2) . ?
C28 H28 0.9300 . ?
C28 C25 1.41(2) . ?
C21 C22 1.37(2) . ?
C25 H25 0.9300 . ?
C45 C46 1.37(2) . ?
C45 C48 1.39(2) . ?
C27 H27 0.9300 . ?
C27 C26 1.36(2) . ?
C46 H46 0.9300 . ?
C46 C47 1.343(16) . ?
C42 C43 1.36(2) . ?
C33 C34 1.44(2) . ?
C33 C32 1.37(2) . ?
C33 C31 1.39(2) . ?
C37 H37 0.9300 . ?
C37 C38 1.34(2) . ?
C38 H38 0.9300 . ?
N14 C49 1.339(15) . ?
N14 C47 1.30(2) . ?
C19 C20 1.461(19) . ?
C19 C18 1.38(2) . ?
C19 C17 1.35(2) . ?
C35 C35 1.35(3) 5_656 ?
C26 H26 0.9300 . ?
C32 H32 0.9300 . ?
C32 C29 1.38(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.38(2) . ?
C4 H4 0.9300 . ?
C2 H2 0.9300 . ?
C8 C7 1.37(2) . ?
C14 H14 0.9300 . ?
C14 C12 1.37(2) . ?
C48 H48 0.9300 . ?
C48 C49 1.320(16) . ?
C13 H13 0.9300 . ?
C13 C11 1.36(2) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.37(2) . ?
C31 H31 0.9300 . ?
C31 C30 1.37(2) . ?
C40 H40 0.9300 . ?
C40 C36 1.30(3) . ?
C15 H15 0.9300 . ?
C15 C18 1.38(2) . ?
C18 H18 0.9300 . ?
C29 H29 0.9300 . ?
C49 H49 0.9300 . ?
C47 H47 0.9300 . ?
C17 H17 0.9300 . ?
C30 H30 0.9300 . ?
C36 H36 0.9300 . ?
O1W H1WA 0.8497 . ?
O1W H1WB 0.8638 . ?
O3W H3WA 0.9959 . ?
O3W H3WB 0.8500 . ?
O2W H2WA 0.8502 . ?
O2W H2WB 0.8502 . ?

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
_geom_angle_publ_flag
N8 Ag3 N5 173.7(5) . 3 ?
N1 Ag4 N4 177.3(4) . 3_445 ?
O23 Mo9 O27 72.9(3) . . ?
O26 Mo9 O23 87.5(4) . . ?
O26 Mo9 O27 73.8(4) . . ?
O26 Mo9 O28 157.0(4) . . ?
O29 Mo9 O23 157.1(4) . . ?
O29 Mo9 O27 85.7(4) . . ?
O29 Mo9 O26 94.4(4) . . ?
O29 Mo9 O28 86.6(4) . . ?
O28 Mo9 O23 82.9(4) . . ?
O28 Mo9 O27 83.4(4) . . ?
O40 Mo9 O23 99.1(4) . . ?
O40 Mo9 O27 169.9(4) . . ?
O40 Mo9 O26 100.2(5) . . ?
O40 Mo9 O29 103.0(5) . . ?
O40 Mo9 O28 102.0(5) . . ?
O15 Mo5 O11 83.4(3) . . ?
O15 Mo5 O12 156.6(4) . . ?
O15 Mo5 O13 89.2(4) . . ?
O15 Mo5 O10 86.9(4) . 2_755 ?
O12 Mo5 O11 73.4(3) . . ?
O13 Mo5 O11 72.6(3) . . ?
O13 Mo5 O12 86.6(4) . . ?
O10 Mo5 O11 84.9(3) 2_755 . ?
O10 Mo5 O12 88.1(4) 2_755 . ?
O10 Mo5 O13 157.5(4) 2_755 . ?
O14 Mo5 O11 169.1(4) . . ?
O14 Mo5 O15 104.2(4) . . ?
O14 Mo5 O12 99.1(4) . . ?
O14 Mo5 O13 99.4(4) . . ?
O14 Mo5 O10 103.0(4) . 2_755 ?
O12 Mo4 O11 73.6(3) . . ?
O12 Mo4 O10 87.0(4) . . ?
O8 Mo4 O11 73.3(3) . . ?
O8 Mo4 O12 87.9(4) . . ?
O8 Mo4 O10 156.9(4) . . ?
O7 Mo4 O11 170.9(4) . . ?
O7 Mo4 O12 100.0(4) . . ?
O7 Mo4 O8 100.3(4) . . ?
O7 Mo4 O19 102.6(4) . 2_755 ?
O7 Mo4 O10 102.7(4) . . ?
O19 Mo4 O11 84.1(3) 2_755 . ?
O19 Mo4 O12 157.2(4) 2_755 . ?
O19 Mo4 O8 90.5(4) 2_755 . ?
O19 Mo4 O10 85.7(4) 2_755 . ?
O10 Mo4 O11 83.7(3) . . ?
O16 Mo1 O17 72.9(3) 2_755 2_755 ?
O16 Mo1 O5 156.3(4) 2_755 2_755 ?
O16 Mo1 O3 86.7(4) 2_755 . ?
O5 Mo1 O17 83.4(3) 2_755 2_755 ?
O5 Mo1 O3 86.8(4) 2_755 . ?
O2 Mo1 O17 84.0(3) . 2_755 ?
O2 Mo1 O16 91.0(4) . 2_755 ?
O2 Mo1 O5 85.6(4) . 2_755 ?
O2 Mo1 O3 155.3(4) . . ?
O3 Mo1 O17 71.8(3) . 2_755 ?
O1 Mo1 O17 170.4(4) . 2_755 ?
O1 Mo1 O16 100.7(4) . 2_755 ?
O1 Mo1 O5 103.0(5) . 2_755 ?
O1 Mo1 O2 103.6(5) . . ?
O1 Mo1 O3 101.0(4) . . ?
O31 Mo10 O33 83.2(4) . . ?
O31 Mo10 O36 83.7(4) . . ?
O32 Mo10 O33 72.2(4) . . ?
O32 Mo10 O31 155.3(4) . . ?
O32 Mo10 O36 86.2(4) . . ?
O30 Mo10 O33 85.7(4) . . ?
O30 Mo10 O31 86.5(4) . . ?
O30 Mo10 O32 93.8(4) . . ?
O30 Mo10 O36 156.1(4) . . ?
O36 Mo10 O33 71.4(4) . . ?
O39 Mo10 O33 169.1(4) . . ?
O39 Mo10 O31 102.2(4) . . ?
O39 Mo10 O32 101.7(5) . . ?
O39 Mo10 O30 103.9(5) . . ?
O39 Mo10 O36 99.5(5) . . ?
O8 Mo3 O11 72.9(3) . . ?
O13 Mo3 O11 72.9(3) . . ?
O13 Mo3 O8 86.4(4) . . ?
O2 Mo3 O11 85.3(3) 2_755 . ?
O2 Mo3 O8 158.1(4) 2_755 . ?
O2 Mo3 O13 89.7(4) 2_755 . ?
O6 Mo3 O11 83.4(4) . . ?
O6 Mo3 O8 88.7(4) . . ?
O6 Mo3 O13 156.2(4) . . ?
O6 Mo3 O2 86.2(4) . 2_755 ?
O9 Mo3 O11 170.5(4) . . ?
O9 Mo3 O8 99.7(4) . . ?
O9 Mo3 O13 101.0(4) . . ?
O9 Mo3 O2 102.2(4) . 2_755 ?
O9 Mo3 O6 102.7(4) . . ?
O26 Mo8 O27 71.1(4) . . ?
O25 Mo8 O27 87.1(4) . . ?
O25 Mo8 O26 157.5(4) . . ?
O25 Mo8 O30 87.6(4) . . ?
O25 Mo8 O22 94.5(4) . . ?
O30 Mo8 O27 83.1(4) . . ?
O30 Mo8 O26 84.1(4) . . ?
O22 Mo8 O27 72.8(4) . . ?
O22 Mo8 O26 84.9(4) . . ?
O22 Mo8 O30 155.6(4) . . ?
O24 Mo8 O27 167.6(4) . . ?
O24 Mo8 O26 97.9(5) . . ?
O24 Mo8 O25 104.3(5) . . ?
O24 Mo8 O30 102.1(5) . . ?
O24 Mo8 O22 100.9(5) . . ?
O31 Mo12 O33 86.8(4) 2_755 . ?
O31 Mo12 O25 84.5(4) 2_755 2_755 ?
O31 Mo12 O36 95.3(4) 2_755 . ?
O31 Mo12 O37 155.0(4) 2_755 . ?
O25 Mo12 O33 82.1(4) 2_755 . ?
O36 Mo12 O33 73.8(4) . . ?
O36 Mo12 O25 155.8(4) . 2_755 ?
O36 Mo12 O37 87.8(4) . . ?
O37 Mo12 O33 70.2(4) . . ?
O37 Mo12 O25 82.7(4) . 2_755 ?
O38 Mo12 O33 168.9(4) . . ?
O38 Mo12 O31 104.1(5) . 2_755 ?
O38 Mo12 O25 100.8(5) . 2_755 ?
O38 Mo12 O36 102.6(5) . . ?
O38 Mo12 O37 99.4(5) . . ?
O5 Mo2 O17 86.5(3) . 2_755 ?
O5 Mo2 O18 158.8(4) . 2_755 ?
O5 Mo2 O3 90.5(4) . . ?
O5 Mo2 O6 86.0(4) . . ?
O18 Mo2 O17 72.5(3) 2_755 2_755 ?
O3 Mo2 O17 74.2(3) . 2_755 ?
O3 Mo2 O18 86.6(4) . 2_755 ?
O3 Mo2 O6 157.4(4) . . ?
O4 Mo2 O17 169.3(4) . 2_755 ?
O4 Mo2 O5 103.0(4) . . ?
O4 Mo2 O18 98.2(4) . 2_755 ?
O4 Mo2 O3 100.6(4) . . ?
O4 Mo2 O6 101.9(4) . . ?
O6 Mo2 O17 83.3(3) . 2_755 ?
O6 Mo2 O18 88.6(4) . 2_755 ?
O23 Mo7 O27 74.1(4) . . ?
O23 Mo7 O22 87.5(4) . . ?
O21 Mo7 O23 100.7(5) . . ?
O21 Mo7 O27 168.8(4) . . ?
O21 Mo7 O22 98.2(5) . . ?
O21 Mo7 O28 103.3(5) . 2_755 ?
O21 Mo7 O34 101.8(5) . 2_755 ?
O22 Mo7 O27 72.0(4) . . ?
O28 Mo7 O23 91.7(4) 2_755 . ?
O28 Mo7 O27 86.9(4) 2_755 . ?
O28 Mo7 O22 158.3(4) 2_755 . ?
O28 Mo7 O34 86.5(4) 2_755 2_755 ?
O34 Mo7 O23 157.3(4) 2_755 . ?
O34 Mo7 O27 83.2(4) 2_755 . ?
O34 Mo7 O22 86.0(4) 2_755 . ?
O15 Mo6 O17 83.5(3) . . ?
O15 Mo6 O16 90.8(4) . . ?
O15 Mo6 O18 156.6(4) . . ?
O15 Mo6 O19 84.7(4) . . ?
O16 Mo6 O17 74.4(3) . . ?
O18 Mo6 O17 73.3(3) . . ?
O18 Mo6 O16 85.7(4) . . ?
O18 Mo6 O19 90.0(4) . . ?
O19 Mo6 O17 84.0(3) . . ?
O19 Mo6 O16 158.4(4) . . ?
O20 Mo6 O17 171.1(4) . . ?
O20 Mo6 O15 104.0(4) . . ?
O20 Mo6 O16 100.3(4) . . ?
O20 Mo6 O18 99.4(4) . . ?
O20 Mo6 O19 101.2(4) . . ?
O32 Mo11 O33 73.4(4) . . ?
O37 Mo11 O33 73.1(4) . . ?
O37 Mo11 O32 87.2(4) . . ?
O37 Mo11 O29 158.2(4) . . ?
O37 Mo11 O34 93.7(5) . . ?
O29 Mo11 O33 85.1(4) . . ?
O29 Mo11 O32 85.8(4) . . ?
O35 Mo11 O33 169.2(4) . . ?
O35 Mo11 O32 99.0(5) . . ?
O35 Mo11 O37 99.3(5) . . ?
O35 Mo11 O29 102.2(5) . . ?
O35 Mo11 O34 102.3(5) . . ?
O34 Mo11 O33 86.0(4) . . ?
O34 Mo11 O32 158.2(4) . . ?
O34 Mo11 O29 85.3(4) . . ?
N9 Ag2 N9 180.0 7_656 . ?
O17 P1 O17 108.9(6) 2_755 . ?
O11 P1 O17 109.2(4) . 2_755 ?
O11 P1 O17 109.6(4) . . ?
O11 P1 O17 109.2(4) 2_755 . ?
O11 P1 O17 109.6(4) 2_755 2_755 ?
O11 P1 O11 110.2(7) 2_755 . ?
O33 P2 O33 109.2(7) . 2_755 ?
O27 P2 O33 109.2(5) . . ?
O27 P2 O33 109.2(5) 2_755 2_755 ?
O27 P2 O33 109.7(5) 2_755 . ?
O27 P2 O33 109.7(5) . 2_755 ?
O27 P2 O27 109.7(7) . 2_755 ?
C8 S1 C6 87.4(7) . . ?
C21 S6 C23 87.9(7) . . ?
C7 S2 C9 88.6(7) . . ?
C22 S5 C20 87.4(7) . . ?
C35 S7 C34 88.6(8) 5_656 . ?
C42 S4 C41 88.3(7) . . ?
C43 S3 C44 88.5(7) . . ?
Mo2 O17 Mo1 88.8(3) 2_755 2_755 ?
Mo2 O17 Mo6 90.2(3) 2_755 . ?
Mo6 O17 Mo1 87.9(3) . 2_755 ?
P1 O17 Mo1 126.0(4) . 2_755 ?
P1 O17 Mo2 126.0(5) . 2_755 ?
P1 O17 Mo6 125.9(4) . . ?
Mo5 O11 Mo4 90.0(3) . . ?
Mo5 O11 Mo3 89.7(3) . . ?
Mo3 O11 Mo4 89.2(3) . . ?
P1 O11 Mo5 125.3(5) . . ?
P1 O11 Mo4 125.6(5) . . ?
P1 O11 Mo3 125.7(5) . . ?
Mo12 O33 Mo10 88.7(3) . . ?
Mo11 O33 Mo10 89.0(3) . . ?
Mo11 O33 Mo12 90.0(3) . . ?
P2 O33 Mo10 125.1(5) . . ?
P2 O33 Mo12 126.7(5) . . ?
P2 O33 Mo11 125.5(5) . . ?
Mo5 O15 Mo6 152.5(6) . . ?
Mo4 O12 Mo5 122.8(4) . . ?
Mo1 O16 Mo6 124.7(5) 2_755 . ?
Mo2 O5 Mo1 150.3(5) . 2_755 ?
Mo4 O8 Mo3 124.6(5) . . ?
Mo3 O13 Mo5 124.8(5) . . ?
Mo3 O2 Mo1 151.0(5) 2_755 . ?
Mo7 O23 Mo9 122.8(5) . . ?
Mo6 O18 Mo2 124.0(5) . 2_755 ?
Mo2 O3 Mo1 125.0(4) . . ?
Mo12 O31 Mo10 150.8(5) 2_755 . ?
Mo9 O27 Mo8 90.1(3) . . ?
Mo7 O27 Mo9 90.0(3) . . ?
Mo7 O27 Mo8 89.3(3) . . ?
P2 O27 Mo9 126.4(5) . . ?
P2 O27 Mo8 125.0(5) . . ?
P2 O27 Mo7 124.8(5) . . ?
Mo9 O26 Mo8 124.9(5) . . ?
Mo4 O19 Mo6 152.4(6) 2_755 . ?
Mo10 O32 Mo11 125.4(6) . . ?
Mo5 O10 Mo4 148.6(5) 2_755 . ?
Mo8 O25 Mo12 149.9(6) . 2_755 ?
Mo10 O30 Mo8 149.7(6) . . ?
Mo8 O22 Mo7 125.9(5) . . ?
Mo12 O36 Mo10 126.0(5) . . ?
Mo11 O37 Mo12 126.4(5) . . ?
Mo9 O29 Mo11 149.9(6) . . ?
Mo3 O6 Mo2 150.9(5) . . ?
C28 N5 Ag3 117.0(9) . 3_445 ?
C27 N5 Ag3 121.4(9) . 3_445 ?
C27 N5 C28 121.5(12) . . ?
Mo7 O28 Mo9 147.6(5) 2_755 . ?
C14 N1 Ag4 123.8(10) . . ?
C14 N1 C13 116.3(12) . . ?
C13 N1 Ag4 119.9(9) . . ?
Mo11 O34 Mo7 151.8(6) . 2_755 ?
C20 N7 C21 104.6(12) . . ?
C9 N2 C8 108.1(12) . . ?
C42 N13 C44 105.5(13) . . ?
C16 N8 Ag3 119.2(10) . . ?
C15 N8 Ag3 123.8(10) . . ?
C15 N8 C16 116.9(13) . . ?
C6 N3 C7 107.5(12) . . ?
C1 N4 Ag4 120.0(9) . 3 ?
C1 N4 C2 120.3(13) . . ?
C2 N4 Ag4 119.5(10) . 3 ?
C35 N10 C34 106.7(14) . . ?
C23 N6 C22 104.2(12) . . ?
N13 C44 S3 116.8(11) . . ?
N13 C44 C45 119.4(13) . . ?
C45 C44 S3 123.8(11) . . ?
C38 C39 C41 123.9(13) . . ?
C38 C39 C40 114.9(15) . . ?
C40 C39 C41 121.2(13) . . ?
C39 C41 S4 121.1(10) . . ?
N12 C41 S4 117.0(11) . . ?
N12 C41 C39 121.8(13) . . ?
C36 N11 C37 118.8(15) . . ?
C41 N12 C43 103.2(13) . . ?
C25 C24 C23 122.1(13) . . ?
C25 C24 C26 117.2(13) . . ?
C26 C24 C23 120.7(13) . . ?
N2 C9 S2 115.5(10) . . ?
N2 C9 C10 123.8(13) . . ?
C10 C9 S2 120.7(11) . . ?
C3 C5 C6 119.3(13) . . ?
C4 C5 C6 123.6(13) . . ?
C4 C5 C3 117.1(13) . . ?
N4 C1 H1 119.6 . . ?
N4 C1 C4 120.8(13) . . ?
C4 C1 H1 119.6 . . ?
C29 N9 Ag2 118.8(12) . . ?
C30 N9 Ag2 121.4(12) . . ?
C30 N9 C29 119.7(15) . . ?
N6 C23 S6 118.4(10) . . ?
N6 C23 C24 121.1(12) . . ?
C24 C23 S6 120.5(10) . . ?
C11 C10 C9 122.9(14) . . ?
C11 C10 C12 118.5(14) . . ?
C12 C10 C9 118.5(13) . . ?
N5 C28 H28 120.8 . . ?
N5 C28 C25 118.5(13) . . ?
C25 C28 H28 120.8 . . ?
N7 C21 S6 130.8(12) . . ?
C22 C21 S6 110.6(12) . . ?
C22 C21 N7 118.6(14) . . ?
C24 C25 C28 120.6(14) . . ?
C24 C25 H25 119.7 . . ?
C28 C25 H25 119.7 . . ?
C46 C45 C44 119.7(13) . . ?
C46 C45 C48 121.0(13) . . ?
C48 C45 C44 119.1(13) . . ?
N5 C27 H27 118.6 . . ?
N5 C27 C26 122.8(14) . . ?
C26 C27 H27 118.6 . . ?
C45 C46 H46 121.4 . . ?
C47 C46 C45 117.3(15) . . ?
C47 C46 H46 121.4 . . ?
N13 C42 S4 131.5(12) . . ?
C43 C42 S4 112.1(13) . . ?
C43 C42 N13 116.4(14) . . ?
N3 C6 S1 117.1(10) . . ?
N3 C6 C5 122.3(13) . . ?
C5 C6 S1 120.7(10) . . ?
N12 C43 S3 127.9(12) . . ?
C42 C43 S3 112.8(13) . . ?
C42 C43 N12 119.2(16) . . ?
C32 C33 C34 121.7(15) . . ?
C32 C33 C31 117.2(16) . . ?
C31 C33 C34 121.0(15) . . ?
N11 C37 H37 119.1 . . ?
N11 C37 C38 121.8(14) . . ?
C38 C37 H37 119.1 . . ?
C39 C38 H38 119.6 . . ?
C37 C38 C39 120.8(15) . . ?
C37 C38 H38 119.6 . . ?
C47 N14 C49 123.0(15) . . ?
C18 C19 C20 120.2(13) . . ?
C17 C19 C20 120.8(13) . . ?
C17 C19 C18 118.9(13) . . ?
N10 C34 S7 115.1(12) . . ?
N10 C34 C33 122.7(14) . . ?
C33 C34 S7 122.3(13) . . ?
N10 C35 S7 130.4(13) . 5_656 ?
C35 C35 S7 110.2(17) 5_656 5_656 ?
C35 C35 N10 119(2) 5_656 . ?
C24 C26 H26 120.5 . . ?
C27 C26 C24 119.0(14) . . ?
C27 C26 H26 120.5 . . ?
C33 C32 H32 119.5 . . ?
C33 C32 C29 120.9(18) . . ?
C29 C32 H32 119.5 . . ?
C5 C3 H3 120.3 . . ?
C2 C3 C5 119.5(14) . . ?
C2 C3 H3 120.3 . . ?
C5 C4 C1 121.1(13) . . ?
C5 C4 H4 119.4 . . ?
C1 C4 H4 119.4 . . ?
N6 C22 S5 129.4(12) . . ?
C21 C22 S5 111.6(11) . . ?
C21 C22 N6 119.0(14) . . ?
N4 C2 C3 121.1(14) . . ?
N4 C2 H2 119.4 . . ?
C3 C2 H2 119.4 . . ?
N2 C8 S1 131.4(12) . . ?
N2 C8 C7 117.1(13) . . ?
C7 C8 S1 111.4(11) . . ?
N1 C14 H14 117.7 . . ?
N1 C14 C12 124.7(13) . . ?
C12 C14 H14 117.7 . . ?
C45 C48 H48 121.0 . . ?
C49 C48 C45 117.9(16) . . ?
C49 C48 H48 121.0 . . ?
N7 C20 S5 117.7(11) . . ?
N7 C20 C19 123.2(13) . . ?
C19 C20 S5 119.1(11) . . ?
N1 C13 H13 118.5 . . ?
C11 C13 N1 123.1(13) . . ?
C11 C13 H13 118.5 . . ?
C10 C11 C13 119.9(14) . . ?
C10 C11 H11 120.1 . . ?
C13 C11 H11 120.1 . . ?
C10 C12 H12 121.2 . . ?
C14 C12 C10 117.5(13) . . ?
C14 C12 H12 121.2 . . ?
N3 C7 S2 132.9(12) . . ?
C8 C7 S2 110.6(11) . . ?
C8 C7 N3 116.5(13) . . ?
N8 C16 H16 118.4 . . ?
N8 C16 C17 123.2(15) . . ?
C17 C16 H16 118.4 . . ?
C33 C31 H31 120.3 . . ?
C30 C31 C33 119.5(17) . . ?
C30 C31 H31 120.3 . . ?
C39 C40 H40 118.8 . . ?
C36 C40 C39 122.5(15) . . ?
C36 C40 H40 118.8 . . ?
N8 C15 H15 118.2 . . ?
N8 C15 C18 123.7(14) . . ?
C18 C15 H15 118.2 . . ?
C19 C18 H18 120.9 . . ?
C15 C18 C19 118.2(14) . . ?
C15 C18 H18 120.9 . . ?
N9 C29 C32 120.1(17) . . ?
N9 C29 H29 119.9 . . ?
C32 C29 H29 119.9 . . ?
N14 C49 H49 120.1 . . ?
C48 C49 N14 119.9(16) . . ?
C48 C49 H49 120.1 . . ?
C46 C47 H47 119.6 . . ?
N14 C47 C46 120.7(16) . . ?
N14 C47 H47 119.6 . . ?
C19 C17 C16 119.1(15) . . ?
C19 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
N9 C30 C31 122.5(17) . . ?
N9 C30 H30 118.8 . . ?
C31 C30 H30 118.8 . . ?
N11 C36 H36 119.4 . . ?
C40 C36 N11 121.2(16) . . ?
C40 C36 H36 119.4 . . ?
H1WA O1W H1WB 96.7 . . ?
H3WA O3W H3WB 86.8 . . ?
H2WA O2W H2WB 104.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound-2
_database_code_depnum_ccdc_archive 'CCDC 1957491'
loop_
_audit_author_name
_audit_author_address
mhc
;The Cambridge Crystallographic date centre
China
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-08-07 downloaded from the CCDC.
;
_audit_creation_date             2020-01-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C51.33 H35.6 Ag4 Mo24 N16 O80.8 Si2, 1.2(H2 O), 0.67(C)'
_chemical_formula_sum            'C52 H38 Ag4 Mo24 N16 O82 Si2'
_chemical_formula_weight         4989.20
_chemical_melting_point          ?
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.340(5)
_cell_length_b                   15.114(5)
_cell_length_c                   16.206(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.963(5)
_cell_angle_gamma                90
_cell_volume                     5163(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5200
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.308
_cell_measurement_theta_min      2.531
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.690
_exptl_absorpt_correction_T_max  0.554
_exptl_absorpt_correction_T_min  0.501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1081 before and 0.0467 after correction.
The Ratio of minimum to maximum transmission is 0.4654.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    3.209
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4684
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35723
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.455
_diffrn_reflns_theta_min         1.658
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8072
_reflns_number_total             11770
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         2.299
_refine_diff_density_min         -1.914
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     972
_refine_ls_number_reflns         11770
_refine_ls_number_restraints     417
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0482
_refine_ls_restrained_S_all      1.007
_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)+(0.0518P)²+27.6812P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1265
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 C16-C17 \\sim C16A-C17A
 with sigma of 0.02
 C16-C15 \\sim C16A-C15A
 with sigma of 0.02
 C14-N5 \\sim C14A-N5A
 with sigma of 0.02
 C15-N5 \\sim C15A-N5A
 with sigma of 0.02
 C21-N7 \\sim C21A-N7A
 with sigma of 0.04
 C17-C18 \\sim C17A-C18A
 with sigma of 0.04
 C15-C17 \\sim C15A-C17A
 with sigma of 0.04
 C21-C17 \\sim C21A-C17A
 with sigma of 0.02
 C17-N7 \\sim C17A-N7A
 with sigma of 0.02
 N7-C18 \\sim N7A-C18A
 with sigma of 0.02
 C18-C19 \\sim C18A-C19A
 with sigma of 0.02
 C21-C19 \\sim C21A-C19A
 with sigma of 0.04
 N7-C19 \\sim N7A-C19A
 with sigma of 0.04
 C16-C14 \\sim C16A-C14A
 with sigma of 0.04
 C16-N5 \\sim C16A-N5A
 with sigma of 0.04
 C16-C21 \\sim C16A-C21A
 with sigma of 0.04
 C16-N7 \\sim C16A-N7A
 with sigma of 0.04
 C14-C15 \\sim C14A-C15A
 with sigma of 0.04
 C26-C23 \\sim C26A-C23A
 with sigma of 0.04
 N5-N8 \\sim N5A-N8A
 with sigma of 0.04
 C15-C26 \\sim C15A-C26A
 with sigma of 0.02
 C23-C21 \\sim C23A-C21A
 with sigma of 0.04
 C25-N8 \\sim C25A-N8A
 with sigma of 0.02
 C25-C24 \\sim C25A-C24A
 with sigma of 0.02
 N8-C26 \\sim N8A-C26A
 with sigma of 0.02
 C25-C23 \\sim C25A-C23A
 with sigma of 0.04
 N8-C22 \\sim N8A-C22A
 with sigma of 0.04
 C26-C22 \\sim C26A-C22A
 with sigma of 0.02
 C22-C23 \\sim C22A-C23A
 with sigma of 0.02
 C22-C21 \\sim C22A-C21A
 with sigma of 0.02
 C23-C24 \\sim C23A-C24A
 with sigma of 0.02
 C22-C24 \\sim C22A-C24A
 with sigma of 0.04
 C15-C22 \\sim C15A-C22A
 with sigma of 0.04
 N5-C26 \\sim N5A-C26A
 with sigma of 0.04
 C25-C26 \\sim C25A-C26A
 with sigma of 0.04
 N8-C24 \\sim N8A-C24A
 with sigma of 0.04
 C26-C21 \\sim C26A-C21A
 with sigma of 0.04
 C22-C17 \\sim C22A-C17A
 with sigma of 0.04
 C16-C26 \\sim C16A-C26A
 with sigma of 0.04
 C15-N8 \\sim C15A-N8A
 with sigma of 0.04
 N6-C16 \\sim N6A-C16A
 with sigma of 0.02
 N6-C14 \\sim N6A-C14A
 with sigma of 0.02
 N6-C15 \\sim N6A-C15A
 with sigma of 0.04
 N6-N5 \\sim N6A-N5A
 with sigma of 0.04
 N6-C17 \\sim N6A-C17A
 with sigma of 0.04
 Ag2-N5 \\sim Ag2A-N5A
 with sigma of 0.02
 Ag2-C14 \\sim Ag2A-C14A
 with sigma of 0.04
 Ag2-C15 \\sim Ag2A-C15A
 with sigma of 0.04
 Ag2-N8 \\sim Ag2A-N8A
 with sigma of 0.02
 Ag2-C25 \\sim Ag2A-C25A
 with sigma of 0.04
 Ag2-C26 \\sim Ag2A-C26A
 with sigma of 0.04
 C21-C20 \\sim C21A-C20A
 with sigma of 0.02
 C19-C20 \\sim C19A-C20A
 with sigma of 0.02
 C17-C20 \\sim C17A-C20A
 with sigma of 0.04
 C18-C20 \\sim C18A-C20A
 with sigma of 0.04
 C22-C20 \\sim C22A-C20A
 with sigma of 0.04
3. Rigid bond restraints
 O0AA, Ag2A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
N7A \\sim CAA: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002
O0AA \\sim O1W: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002
Uanis(C18A) \\sim Ueq, Uanis(C24A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C17) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N7A) \\sim Ueq, Uanis(CAA) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C17A) \\sim Ueq, Uanis(C20A) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O1W) \\sim Ueq, Uanis(O0AA) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
5. Rigid body (RIGU) restrains
 N7, N6, C16, C14, C15, C17, N5, C26, C21, N8, C22, C20, C18, C25, C23, C19, C24
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C21A, C26A, N8A, C15A, C22A, C25A, N5A, C16A, C23A, C24A, C14A, N6A, C17A,
 C20A, N7A, C19A, C18A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O0AA, O1W
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
6. Others
 Fixed Sof: Ag2(0.6) N6(0.6) H6(0.6) C16(0.6) C14(0.6) H14(0.6) C15(0.6)
 N5(0.6) C25(0.6) H25(0.6) N8(0.6) C26(0.6) C22(0.6) C23(0.6) H23(0.6) C24(0.6)
 H24(0.6) C21(0.6) C17(0.6) N7(0.6) C18(0.6) H18(0.6) C19(0.6) H19(0.6)
 C20(0.33333) H20(0.5) O1W(0.6) H1WA(0.6) H1WB(0.6) C26A(0.4) Ag2A(0.4)
 N5A(0.4) N8A(0.4) C14A(0.4) H14A(0.4) C15A(0.4) C25A(0.4) H25A(0.4) N6A(0.4)
 H6AA(0.4) C16A(0.4) C24A(0.4) H24A(0.4) C22A(0.4) C17A(0.4) C23A(0.4)
 H23A(0.4) C21A(0.4) N7A(0.4) C20A(0.3333) H20A(0.5) C18A(0.4) H18A(0.4)
 C19A(0.4) H19A(0.4) CAA(0.33333) O0AA(0.4) H0AA(0.4) H0AB(0.4)
7.a Everything fixed:
 O1W, H1WA, H1WB
7.b Rotating group:
 O0AA(H0AA,H0AB)
7.c Aromatic/amide H refined with riding coordinates:
 N2(H2), N6(H6), C14(H14), C5(H5), C10(H10), C11(H11), C12(H12), C7(H7),
 C1(H1), C6(H6A), C25(H25), C23(H23), C24(H24), C18(H18), C19(H19), C20(H20),
 C14A(H14A), C25A(H25A), N6A(H6AA), C24A(H24A), C23A(H23A), C20A(H20A),
 C18A(H18A), C19A(H19A)
7.d Fitted hexagon refined as free rotating group:
 C25(N8,C26,C22,C23,C24)
7.e Idealised tetrahedral OH refined as rotating group:
 O40(H40)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Mo4 Mo 0.35742(3) 0.61540(5) 0.37065(4) 0.02659(16) Uani 1 1 d . . . . .
Mo6 Mo 0.18939(3) 0.59964(5) 0.27022(4) 0.02857(16) Uani 1 1 d . . . . .
Mo1 Mo 0.23374(3) 0.74015(5) 0.45590(5) 0.03014(17) Uani 1 1 d . . . . .
Mo5 Mo 0.40210(3) 0.52509(5) 0.56074(4) 0.03117(17) Uani 1 1 d . . . . .
Mo3 Mo 0.12282(3) 0.63324(5) 0.54367(5) 0.03397(18) Uani 1 1 d . . . . .
Mo8 Mo 0.13445(3) 0.38963(5) 0.56955(5) 0.03646(19) Uani 1 1 d . . . . .
Mo12 Mo 0.36765(4) 0.39343(5) 0.39374(5) 0.03397(18) Uani 1 1 d . . . . .
Mo9 Mo 0.08535(3) 0.48520(5) 0.36159(5) 0.03573(19) Uani 1 1 d . . . . .
Mo2 Mo 0.27329(4) 0.64586(6) 0.64349(5) 0.03712(19) Uani 1 1 d . . . . .
Mo11 Mo 0.20296(4) 0.38036(5) 0.28510(5) 0.03620(19) Uani 1 1 d . . . . .
Mo10 Mo 0.24781(4) 0.27568(5) 0.49303(5) 0.0401(2) Uani 1 1 d . . . . .
Mo7 Mo 0.28639(4) 0.40210(6) 0.66372(5) 0.0455(2) Uani 1 1 d . . . . .
Ag1 Ag 0.46480(4) 0.51621(8) 0.24927(6) 0.0743(3) Uani 1 1 d . . . . .
Ag2 Ag 0.17225(8) 0.56479(12) 0.76233(10) 0.0704(5) Uani 0.6 1 d D . P A 1
Si1 Si 0.24245(9) 0.50788(13) 0.46762(12) 0.0179(4) Uani 1 1 d . . . . .
O1 O 0.3112(2) 0.7015(3) 0.4276(3) 0.0265(11) Uani 1 1 d . . . . .
O2 O 0.1931(2) 0.6862(3) 0.3545(3) 0.0283(12) Uani 1 1 d . . . . .
O3 O 0.2828(2) 0.6011(3) 0.2964(3) 0.0278(12) Uani 1 1 d . . . . .
O4 O 0.4163(2) 0.6095(4) 0.4772(3) 0.0293(12) Uani 1 1 d . . . . .
O6 O 0.3163(2) 0.5104(3) 0.4530(3) 0.0225(11) Uani 1 1 d . . . . .
O5 O 0.1499(2) 0.7372(4) 0.4932(3) 0.0314(13) Uani 1 1 d . . . . .
O7 O 0.1991(3) 0.4862(3) 0.2188(3) 0.0310(12) Uani 1 1 d . . . . .
O8 O 0.1685(3) 0.2777(4) 0.5303(4) 0.0360(14) Uani 1 1 d . . . . .
O9 O 0.2251(2) 0.5989(3) 0.5115(3) 0.0224(11) Uani 1 1 d . . . . .
O10 O 0.3905(3) 0.5046(3) 0.3397(3) 0.0292(12) Uani 1 1 d . . . . .
O11 O 0.1045(2) 0.5716(4) 0.2770(3) 0.0311(12) Uani 1 1 d . . . . .
O12 O 0.4253(2) 0.4325(4) 0.4918(3) 0.0323(13) Uani 1 1 d . . . . .
O13 O 0.1129(3) 0.3961(4) 0.2907(3) 0.0322(13) Uani 1 1 d . . . . .
O14 O 0.3498(3) 0.6131(4) 0.6049(3) 0.0311(12) Uani 1 1 d . . . . .
O15 O 0.1968(2) 0.4974(3) 0.3777(3) 0.0226(11) Uani 1 1 d . . . . .
O16 O 0.0920(2) 0.5824(4) 0.4386(3) 0.0327(13) Uani 1 1 d . . . . .
O17 O 0.2933(3) 0.3916(4) 0.3116(3) 0.0307(12) Uani 1 1 d . . . . .
O18 O 0.0992(3) 0.4096(4) 0.4536(3) 0.0323(13) Uani 1 1 d . . . . .
O19 O 0.3582(3) 0.4420(4) 0.6185(3) 0.0361(14) Uani 1 1 d . . . . .
O20 O 0.3259(3) 0.3196(4) 0.4584(3) 0.0347(13) Uani 1 1 d . . . . .
O21 O 0.1246(3) 0.5110(4) 0.5844(3) 0.0329(13) Uani 1 1 d . . . . .
O22 O 0.2099(3) 0.3073(4) 0.3829(3) 0.0338(13) Uani 1 1 d . . . . .
O23 O 0.2314(2) 0.4249(3) 0.5259(3) 0.0259(11) Uani 1 1 d . . . . .
O24 O 0.2696(3) 0.7501(4) 0.5710(3) 0.0324(13) Uani 1 1 d . . . . .
O25 O 0.1831(3) 0.6564(4) 0.6424(3) 0.0327(13) Uani 1 1 d . . . . .
O26 O 0.1977(3) 0.3818(4) 0.6668(3) 0.0324(13) Uani 1 1 d . . . . .
O27 O 0.2887(3) 0.2933(4) 0.6072(4) 0.0383(14) Uani 1 1 d . . . . .
O28 O 0.2686(3) 0.5263(4) 0.6784(3) 0.0385(14) Uani 1 1 d . . . . .
O29 O 0.4006(2) 0.6842(4) 0.3201(4) 0.0347(13) Uani 1 1 d . . . . .
O30 O 0.2331(3) 0.8475(4) 0.4287(4) 0.0375(14) Uani 1 1 d . . . . .
O31 O 0.3002(3) 0.6971(4) 0.7344(4) 0.0448(16) Uani 1 1 d . . . . .
O32 O 0.4156(3) 0.3243(4) 0.3517(4) 0.0416(15) Uani 1 1 d . . . . .
O33 O 0.0722(3) 0.3449(4) 0.6073(4) 0.0453(16) Uani 1 1 d . . . . .
O34 O 0.2586(3) 0.1661(4) 0.4831(4) 0.0477(17) Uani 1 1 d . . . . .
O35 O 0.0074(3) 0.4783(4) 0.3322(4) 0.0453(16) Uani 1 1 d . . . . .
O36 O 0.1958(3) 0.3046(4) 0.2095(4) 0.0442(16) Uani 1 1 d . . . . .
O37 O 0.4697(3) 0.5390(4) 0.6285(4) 0.0408(15) Uani 1 1 d . . . . .
O38 O 0.0566(3) 0.6722(4) 0.5749(4) 0.0446(16) Uani 1 1 d . . . . .
O39 O 0.3186(3) 0.3720(5) 0.7604(4) 0.057(2) Uani 1 1 d . . . . .
C9 C 0.5816(3) 0.6031(5) -0.0212(4) 0.0210(15) Uani 1 1 d . . . . .
N4 N 0.5461(4) 0.4782(5) 0.1647(4) 0.0394(18) Uani 1 1 d . . . . .
C8 C 0.5862(4) 0.5365(6) 0.0437(5) 0.0348(19) Uani 1 1 d . . . . .
N2 N 0.4569(4) 0.7362(6) 0.0582(5) 0.052(2) Uani 1 1 d . . . . .
H2 H 0.444848 0.783336 0.030483 0.062 Uiso 1 1 calc R . . . .
N6 N 0.0060(8) 0.7075(9) 0.8519(14) 0.040(4) Uani 0.6 1 d D U P A 1
H6 H -0.017356 0.749690 0.865722 0.048 Uiso 0.6 1 calc R . P A 1
C2 C 0.5033(4) 0.6765(6) 0.0418(5) 0.035(2) Uani 1 1 d . . . . .
C13 C 0.5405(4) 0.6749(6) -0.0219(5) 0.0324(18) Uani 1 1 d . . . . .
N1 N 0.4617(4) 0.6303(6) 0.1548(5) 0.057(2) Uani 1 1 d . . . . .
C16 C -0.0013(7) 0.6175(9) 0.8626(12) 0.026(3) Uani 0.6 1 d D U P A 1
C4 C 0.5473(4) 0.5404(6) 0.1045(5) 0.0347(19) Uani 1 1 d . . . . .
N3 N 0.5369(4) 0.7384(6) -0.0867(6) 0.066(3) Uani 1 1 d . . . . .
C14 C 0.0576(14) 0.7134(13) 0.815(3) 0.051(6) Uani 0.6 1 d D U P A 1
H14 H 0.070442 0.767095 0.795185 0.062 Uiso 0.6 1 calc R . P A 1
C3 C 0.5062(4) 0.6137(6) 0.1020(6) 0.042(2) Uani 1 1 d . . . . .
C5 C 0.5862(5) 0.4131(7) 0.1663(6) 0.049(2) Uani 1 1 d . . . . .
H5 H 0.586268 0.369385 0.206703 0.058 Uiso 1 1 calc R . . . .
C10 C 0.6166(4) 0.5938(6) -0.0849(5) 0.041(2) Uani 1 1 d . . . . .
H10 H 0.643329 0.545233 -0.084998 0.050 Uiso 1 1 calc R . . . .
C15 C 0.0502(6) 0.5782(9) 0.8370(9) 0.026(2) Uani 0.6 1 d D U P A 1
C11 C 0.6132(5) 0.6538(7) -0.1477(6) 0.046(2) Uani 1 1 d . . . . .
H11 H 0.637708 0.645666 -0.189818 0.055 Uiso 1 1 calc R . . . .
N5 N 0.0887(6) 0.6422(8) 0.8086(9) 0.034(2) Uani 0.6 1 d D U P A 1
C12 C 0.5738(5) 0.7269(7) -0.1500(6) 0.055(3) Uani 1 1 d . . . . .
H12 H 0.571928 0.767843 -0.193148 0.066 Uiso 1 1 calc R . . . .
C7 C 0.6288(5) 0.4659(7) 0.0477(6) 0.060(3) Uani 1 1 d . . . . .
H7 H 0.656373 0.459804 0.008864 0.072 Uiso 1 1 calc R . . . .
C1 C 0.4345(5) 0.7051(8) 0.1261(7) 0.062(3) Uani 1 1 d . . . . .
H1 H 0.403145 0.733468 0.150185 0.075 Uiso 1 1 calc R . . . .
C6 C 0.6284(6) 0.4062(8) 0.1106(7) 0.065(3) Uani 1 1 d . . . . .
H6A H 0.657362 0.359757 0.116031 0.078 Uiso 1 1 calc R . . . .
C25 C 0.1219(5) 0.3620(6) 0.8208(8) 0.049(4) Uani 0.6 1 d D U P A 1
H25 H 0.157802 0.337406 0.804063 0.059 Uiso 0.6 1 calc R . P A 1
N8 N 0.1125(4) 0.4530(5) 0.8165(6) 0.043(3) Uani 0.6 1 d DG U P A 1
C26 C 0.0588(4) 0.4899(4) 0.8415(7) 0.028(2) Uani 0.6 1 d DG U P A 1
C22 C 0.0144(4) 0.4357(6) 0.8707(9) 0.033(3) Uani 0.6 1 d DG U P A 1
C23 C 0.0237(6) 0.3446(6) 0.8749(11) 0.043(4) Uani 0.6 1 d DG U P A 1
H23 H -0.005990 0.308381 0.894397 0.052 Uiso 0.6 1 calc R . P A 1
C24 C 0.0774(7) 0.3078(4) 0.8499(11) 0.061(9) Uani 0.6 1 d DG U P A 1
H24 H 0.083687 0.246942 0.852756 0.074 Uiso 0.6 1 calc R . P A 1
C21 C -0.0387(8) 0.4793(9) 0.9036(13) 0.028(2) Uani 0.6 1 d D U P A 1
C17 C -0.0469(9) 0.5662(10) 0.8967(14) 0.026(3) Uani 0.6 1 d D U P A 1
N7 N -0.0981(10) 0.6061(11) 0.9273(15) 0.039(3) Uani 0.6 1 d D U P A 1
C18 C -0.1412(11) 0.5477(11) 0.9604(18) 0.042(5) Uani 0.6 1 d D U P A 1
H18 H -0.178272 0.568982 0.976698 0.050 Uiso 0.6 1 calc R . P A 1
C19 C -0.1253(10) 0.4561(12) 0.9675(14) 0.046(4) Uani 0.6 1 d D U P A 1
H19 H -0.148190 0.417756 0.996472 0.056 Uiso 0.6 1 calc R . P A 1
C20 C -0.0784(13) 0.4273(19) 0.9329(17) 0.029(4) Uani 0.3333 1 d D U P A 1
H20 H -0.072904 0.366481 0.928799 0.034 Uiso 0.5 1 calc R . P A 1
O1W O 0.295980 0.936060 0.611860 0.035 Uani 0.6 1 d . U P B 1
H1WA H 0.267660 0.909040 0.596250 0.053 Uiso 0.6 1 d . . P C 1
H1WB H 0.284640 0.976830 0.642410 0.053 Uiso 0.6 1 d . . P D 1
C26A C 0.0519(8) 0.5401(10) 0.8365(13) 0.026(4) Uani 0.4 1 d D U P E 2
Ag2A Ag 0.16850(14) 0.4691(2) 0.76309(19) 0.1014(11) Uani 0.4 1 d D U P E 2
N5A N 0.0945(8) 0.3876(10) 0.8287(12) 0.038(4) Uani 0.4 1 d D U P E 2
N8A N 0.1000(7) 0.5777(9) 0.8007(10) 0.033(3) Uani 0.4 1 d D U P E 2
C14A C 0.0711(11) 0.3146(13) 0.8483(18) 0.035(7) Uani 0.4 1 d D U P E 2
H14A H 0.090130 0.260768 0.839336 0.042 Uiso 0.4 1 calc R . P E 2
C15A C 0.0507(8) 0.4505(10) 0.8466(12) 0.024(3) Uani 0.4 1 d D U P E 2
C25A C 0.1010(11) 0.6682(11) 0.7881(18) 0.043(6) Uani 0.4 1 d D U P E 2
H25A H 0.131769 0.693058 0.760354 0.052 Uiso 0.4 1 calc R . P E 2
N6A N 0.0179(10) 0.3186(11) 0.8824(17) 0.040(5) Uani 0.4 1 d D U P E 2
H6AA H -0.003202 0.275597 0.899527 0.048 Uiso 0.4 1 calc R . P E 2
C16A C 0.0048(9) 0.4087(11) 0.8837(14) 0.025(3) Uani 0.4 1 d D U P E 2
C24A C 0.0558(14) 0.7226(14) 0.817(2) 0.027(5) Uani 0.4 1 d D U P E 2
H24A H 0.059444 0.783867 0.814918 0.033 Uiso 0.4 1 calc R . P E 2
C22A C 0.0048(11) 0.5927(11) 0.861(2) 0.028(5) Uani 0.4 1 d D U P E 2
C17A C -0.0441(12) 0.4613(12) 0.907(2) 0.020(2) Uani 0.4 1 d D U P E 2
C23A C 0.0054(13) 0.6837(12) 0.849(3) 0.035(6) Uani 0.4 1 d D U P E 2
H23A H -0.027704 0.718413 0.861794 0.042 Uiso 0.4 1 calc R . P E 2
C21A C -0.0464(13) 0.5482(12) 0.898(2) 0.020(5) Uani 0.4 1 d D U P E 2
N7A N -0.0896(8) 0.4196(11) 0.9462(12) 0.016(2) Uani 0.4 1 d D U P E 2
C20A C -0.0917(17) 0.597(2) 0.920(3) 0.023(3) Uani 0.3333 1 d D U P E 2
H20A H -0.092063 0.656852 0.907128 0.028 Uiso 0.5 1 calc R . P E 2
C18A C -0.1394(10) 0.4733(13) 0.9717(16) 0.020(3) Uani 0.4 1 d D U P E 2
H18A H -0.171961 0.448345 0.996017 0.025 Uiso 0.4 1 calc R . P E 2
C19A C -0.1364(13) 0.5660(14) 0.958(2) 0.019(5) Uani 0.4 1 d D U P E 2
H19A H -0.165819 0.603918 0.975881 0.023 Uiso 0.4 1 calc R . P E 2
O40 O 0.1788(3) 0.6616(4) 0.1843(3) 0.0377(14) Uani 1 1 d . . . . .
H40 H 0.196464 0.638296 0.148472 0.057 Uiso 1 1 calc GR . . . .
CAA C -0.1123(9) 0.3406(13) 0.9583(12) 0.015(2) Uani 0.3333 1 d . U P F 3
O0AA O 0.2544(13) 0.475(2) 0.8720(16) 0.113(3) Uani 0.4 1 d . U P E 2
H0AA H 0.276461 0.522755 0.868347 0.169 Uiso 0.4 1 d GR . P E 2
H0AB H 0.280641 0.433171 0.866739 0.169 Uiso 0.4 1 d GR . P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo4 O1 1.950(5) . ?
Mo4 O3 1.853(5) . ?
Mo4 O4 1.973(5) . ?
Mo4 O6 2.331(5) . ?
Mo4 O10 1.915(5) . ?
Mo4 O29 1.685(5) . ?
Mo6 O2 1.885(5) . ?
Mo6 O3 1.972(5) . ?
Mo6 O7 1.932(5) . ?
Mo6 O11 1.881(5) . ?
Mo6 O15 2.315(5) . ?
Mo6 O40 1.664(5) . ?
Mo1 O1 1.876(5) . ?
Mo1 O2 1.916(5) . ?
Mo1 O5 1.976(5) . ?
Mo1 O9 2.335(5) . ?
Mo1 O24 1.909(5) . ?
Mo1 O30 1.680(6) . ?
Mo5 O4 1.918(5) . ?
Mo5 O6 2.336(5) . ?
Mo5 O12 1.903(6) . ?
Mo5 O14 1.943(6) . ?
Mo5 O19 1.899(6) . ?
Mo5 O37 1.684(5) . ?
Mo3 O5 1.903(6) . ?
Mo3 O9 2.379(5) . ?
Mo3 O16 1.890(6) . ?
Mo3 O21 1.961(6) . ?
Mo3 O25 1.922(5) . ?
Mo3 O38 1.681(6) . ?
Mo8 O8 1.985(6) . ?
Mo8 O18 1.936(5) . ?
Mo8 O21 1.866(6) . ?
Mo8 O23 2.351(5) . ?
Mo8 O26 1.912(5) . ?
Mo8 O33 1.689(5) . ?
Mo12 O6 2.362(5) . ?
Mo12 O10 1.990(5) . ?
Mo12 O12 1.945(6) . ?
Mo12 O17 1.906(6) . ?
Mo12 O20 1.851(5) . ?
Mo12 O32 1.679(6) . ?
Mo9 O11 1.981(5) . ?
Mo9 O13 1.922(6) . ?
Mo9 O15 2.359(5) . ?
Mo9 O16 1.918(6) . ?
Mo9 O18 1.865(5) . ?
Mo9 O35 1.662(6) . ?
Mo2 O9 2.335(5) . ?
Mo2 O14 1.903(6) . ?
Mo2 O24 1.960(6) . ?
Mo2 O25 1.929(6) . ?
Mo2 O28 1.901(6) . ?
Mo2 O31 1.684(6) . ?
Mo11 O7 1.921(5) . ?
Mo11 O13 1.952(6) . ?
Mo11 O15 2.337(5) . ?
Mo11 O17 1.916(6) . ?
Mo11 O22 1.919(6) . ?
Mo11 O36 1.667(6) . ?
Mo10 O8 1.884(6) . ?
Mo10 O20 1.956(6) . ?
Mo10 O22 1.902(6) . ?
Mo10 O23 2.355(5) . ?
Mo10 O27 1.937(6) . ?
Mo10 O34 1.684(6) . ?
Mo7 O19 1.897(6) . ?
Mo7 O23 2.380(5) . ?
Mo7 O26 1.926(5) . ?
Mo7 O27 1.887(6) . ?
Mo7 O28 1.937(6) . ?
Mo7 O39 1.673(6) . ?
Ag1 O10 2.328(5) . ?
Ag1 O37 2.391(6) 3_666 ?
Ag1 N4 2.441(7) . ?
Ag1 N1 2.299(8) . ?
Ag2 O25 2.427(6) . ?
Ag2 N5 2.352(11) . ?
Ag2 N8 2.366(7) . ?
Si1 O6 1.630(5) . ?
Si1 O9 1.618(5) . ?
Si1 O15 1.630(5) . ?
Si1 O23 1.610(5) . ?
O26 Ag2A 2.206(6) . ?
C9 C8 1.448(11) . ?
C9 C13 1.394(11) . ?
C9 C10 1.373(11) . ?
N4 C4 1.358(11) . ?
N4 C5 1.302(11) . ?
C8 C4 1.385(11) . ?
C8 C7 1.397(12) . ?
N2 H2 0.8600 . ?
N2 C2 1.396(10) . ?
N2 C1 1.350(13) . ?
N6 H6 0.8600 . ?
N6 C16 1.382(17) . ?
N6 C14 1.34(2) . ?
C2 C13 1.396(11) . ?
C2 C3 1.356(12) . ?
C13 N3 1.416(12) . ?
N1 C3 1.396(11) . ?
N1 C1 1.323(12) . ?
C16 C15 1.369(17) . ?
C16 C17 1.42(2) . ?
C4 C3 1.410(12) . ?
N3 C12 1.397(14) . ?
C14 H14 0.9300 . ?
C14 N5 1.277(19) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(13) . ?
C10 H10 0.9300 . ?
C10 C11 1.356(13) . ?
C15 N5 1.392(16) . ?
C15 C26 1.348(14) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(14) . ?
C12 H12 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.363(14) . ?
C1 H1 0.9300 . ?
C6 H6A 0.9300 . ?
C25 H25 0.9300 . ?
C25 N8 1.3900 . ?
C25 C24 1.3900 . ?
N8 C26 1.3900 . ?
C26 C22 1.3900 . ?
C22 C23 1.3900 . ?
C22 C21 1.481(17) . ?
C23 H23 0.9300 . ?
C23 C24 1.3900 . ?
C24 H24 0.9300 . ?
C21 C17 1.328(15) . ?
C21 C20 1.30(3) . ?
C17 N7 1.404(19) . ?
N7 C18 1.44(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.425(18) . ?
C19 H19 0.9300 . ?
C19 C20 1.30(3) . ?
C20 H20 0.9300 . ?
O1W H1WA 0.7405 . ?
O1W H1WB 0.8489 . ?
C26A N8A 1.378(14) . ?
C26A C15A 1.36(2) . ?
C26A C22A 1.389(15) . ?
Ag2A N5A 2.381(14) . ?
Ag2A N8A 2.340(12) . ?
Ag2A O0AA 2.34(3) . ?
N5A C14A 1.27(2) . ?
N5A C15A 1.395(18) . ?
N8A C25A 1.384(16) . ?
C14A H14A 0.9300 . ?
C14A N6A 1.34(2) . ?
C15A C16A 1.38(2) . ?
C25A H25A 0.9300 . ?
C25A C24A 1.402(17) . ?
N6A H6AA 0.8600 . ?
N6A C16A 1.392(19) . ?
C16A C17A 1.41(2) . ?
C24A H24A 0.9300 . ?
C24A C23A 1.395(17) . ?
C22A C23A 1.389(16) . ?
C22A C21A 1.49(2) . ?
C17A C21A 1.322(16) . ?
C17A N7A 1.39(2) . ?
C23A H23A 0.9300 . ?
C21A C20A 1.30(3) . ?
N7A C18A 1.45(2) . ?
C20A H20A 0.9300 . ?
C20A C19A 1.30(3) . ?
C18A H18A 0.9300 . ?
C18A C19A 1.421(19) . ?
C19A H19A 0.9300 . ?
O40 H40 0.8200 . ?
O0AA H0AA 0.8636 . ?
O0AA H0AB 0.8623 . ?

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
_geom_angle_publ_flag
O1 Mo4 O4 85.1(2) . . ?
O1 Mo4 O6 85.42(19) . . ?
O3 Mo4 O1 86.5(2) . . ?
O3 Mo4 O4 158.2(2) . . ?
O3 Mo4 O6 86.0(2) . . ?
O3 Mo4 O10 92.5(2) . . ?
O4 Mo4 O6 73.32(19) . . ?
O10 Mo4 O1 160.4(2) . . ?
O10 Mo4 O4 88.8(2) . . ?
O10 Mo4 O6 75.0(2) . . ?
O29 Mo4 O1 100.0(2) . . ?
O29 Mo4 O3 103.6(3) . . ?
O29 Mo4 O4 97.6(2) . . ?
O29 Mo4 O6 169.2(2) . . ?
O29 Mo4 O10 99.3(2) . . ?
O2 Mo6 O3 84.8(2) . . ?
O2 Mo6 O7 159.1(2) . . ?
O2 Mo6 O15 85.9(2) . . ?
O3 Mo6 O15 84.11(19) . . ?
O7 Mo6 O3 86.0(2) . . ?
O7 Mo6 O15 74.5(2) . . ?
O11 Mo6 O2 92.7(2) . . ?
O11 Mo6 O3 160.1(2) . . ?
O11 Mo6 O7 89.7(2) . . ?
O11 Mo6 O15 76.1(2) . . ?
O40 Mo6 O2 101.5(3) . . ?
O40 Mo6 O3 100.0(3) . . ?
O40 Mo6 O7 98.6(3) . . ?
O40 Mo6 O11 99.8(3) . . ?
O40 Mo6 O15 171.8(2) . . ?
O1 Mo1 O2 87.5(2) . . ?
O1 Mo1 O5 160.4(2) . . ?
O1 Mo1 O9 86.3(2) . . ?
O1 Mo1 O24 91.7(2) . . ?
O2 Mo1 O5 86.7(2) . . ?
O2 Mo1 O9 83.7(2) . . ?
O5 Mo1 O9 74.4(2) . . ?
O24 Mo1 O2 158.5(2) . . ?
O24 Mo1 O5 86.9(2) . . ?
O24 Mo1 O9 74.9(2) . . ?
O30 Mo1 O1 102.0(2) . . ?
O30 Mo1 O2 101.6(3) . . ?
O30 Mo1 O5 97.6(3) . . ?
O30 Mo1 O9 170.3(2) . . ?
O30 Mo1 O24 99.5(3) . . ?
O4 Mo5 O6 74.14(19) . . ?
O4 Mo5 O14 88.1(2) . . ?
O12 Mo5 O4 89.5(2) . . ?
O12 Mo5 O6 74.8(2) . . ?
O12 Mo5 O14 159.4(2) . . ?
O14 Mo5 O6 84.9(2) . . ?
O19 Mo5 O4 158.8(2) . . ?
O19 Mo5 O6 85.2(2) . . ?
O19 Mo5 O12 89.8(2) . . ?
O19 Mo5 O14 85.2(2) . . ?
O37 Mo5 O4 99.4(3) . . ?
O37 Mo5 O6 172.4(2) . . ?
O37 Mo5 O12 101.5(3) . . ?
O37 Mo5 O14 99.0(3) . . ?
O37 Mo5 O19 101.5(3) . . ?
O5 Mo3 O9 74.6(2) . . ?
O5 Mo3 O21 158.7(2) . . ?
O5 Mo3 O25 89.9(2) . . ?
O16 Mo3 O5 92.0(2) . . ?
O16 Mo3 O9 85.2(2) . . ?
O16 Mo3 O21 84.6(2) . . ?
O16 Mo3 O25 156.5(2) . . ?
O21 Mo3 O9 84.2(2) . . ?
O25 Mo3 O9 72.8(2) . . ?
O25 Mo3 O21 85.2(2) . . ?
O38 Mo3 O5 99.5(3) . . ?
O38 Mo3 O9 170.4(3) . . ?
O38 Mo3 O16 102.9(3) . . ?
O38 Mo3 O21 101.7(3) . . ?
O38 Mo3 O25 99.9(3) . . ?
O8 Mo8 O23 73.3(2) . . ?
O18 Mo8 O8 85.9(2) . . ?
O18 Mo8 O23 84.2(2) . . ?
O21 Mo8 O8 159.0(2) . . ?
O21 Mo8 O18 86.4(2) . . ?
O21 Mo8 O23 86.5(2) . . ?
O21 Mo8 O26 91.9(2) . . ?
O26 Mo8 O8 88.0(2) . . ?
O26 Mo8 O18 158.0(2) . . ?
O26 Mo8 O23 73.8(2) . . ?
O33 Mo8 O8 97.0(3) . . ?
O33 Mo8 O18 101.9(3) . . ?
O33 Mo8 O21 103.7(3) . . ?
O33 Mo8 O23 168.4(3) . . ?
O33 Mo8 O26 99.8(3) . . ?
O10 Mo12 O6 73.00(19) . . ?
O12 Mo12 O6 73.4(2) . . ?
O12 Mo12 O10 86.3(2) . . ?
O17 Mo12 O6 84.6(2) . . ?
O17 Mo12 O10 86.5(2) . . ?
O17 Mo12 O12 158.0(2) . . ?
O20 Mo12 O6 85.8(2) . . ?
O20 Mo12 O10 158.5(2) . . ?
O20 Mo12 O12 91.1(2) . . ?
O20 Mo12 O17 88.0(2) . . ?
O32 Mo12 O6 169.0(2) . . ?
O32 Mo12 O10 98.1(3) . . ?
O32 Mo12 O12 100.0(3) . . ?
O32 Mo12 O17 101.6(3) . . ?
O32 Mo12 O20 103.4(3) . . ?
O11 Mo9 O15 73.27(19) . . ?
O13 Mo9 O11 86.1(2) . . ?
O13 Mo9 O15 73.9(2) . . ?
O16 Mo9 O11 86.8(2) . . ?
O16 Mo9 O13 158.0(2) . . ?
O16 Mo9 O15 84.1(2) . . ?
O18 Mo9 O11 158.9(2) . . ?
O18 Mo9 O13 91.3(2) . . ?
O18 Mo9 O15 85.9(2) . . ?
O18 Mo9 O16 87.9(2) . . ?
O35 Mo9 O11 98.5(3) . . ?
O35 Mo9 O13 99.8(3) . . ?
O35 Mo9 O15 169.8(2) . . ?
O35 Mo9 O16 101.8(3) . . ?
O35 Mo9 O18 102.6(3) . . ?
O14 Mo2 O9 84.1(2) . . ?
O14 Mo2 O24 88.2(2) . . ?
O14 Mo2 O25 157.6(2) . . ?
O24 Mo2 O9 73.99(19) . . ?
O25 Mo2 O9 73.75(19) . . ?
O25 Mo2 O24 88.9(2) . . ?
O28 Mo2 O9 87.0(2) . . ?
O28 Mo2 O14 86.5(2) . . ?
O28 Mo2 O24 160.7(2) . . ?
O28 Mo2 O25 89.0(2) . . ?
O31 Mo2 O9 169.3(3) . . ?
O31 Mo2 O14 102.4(3) . . ?
O31 Mo2 O24 97.5(3) . . ?
O31 Mo2 O25 100.0(3) . . ?
O31 Mo2 O28 101.7(3) . . ?
O7 Mo11 O13 88.2(2) . . ?
O7 Mo11 O15 74.2(2) . . ?
O13 Mo11 O15 73.97(19) . . ?
O17 Mo11 O7 90.3(2) . . ?
O17 Mo11 O13 160.4(2) . . ?
O17 Mo11 O15 86.8(2) . . ?
O17 Mo11 O22 85.5(2) . . ?
O22 Mo11 O7 158.8(2) . . ?
O22 Mo11 O13 88.9(2) . . ?
O22 Mo11 O15 84.8(2) . . ?
O36 Mo11 O7 99.8(3) . . ?
O36 Mo11 O13 98.0(3) . . ?
O36 Mo11 O15 169.9(2) . . ?
O36 Mo11 O17 101.5(3) . . ?
O36 Mo11 O22 101.4(3) . . ?
O8 Mo10 O20 159.2(2) . . ?
O8 Mo10 O22 91.4(2) . . ?
O8 Mo10 O23 74.9(2) . . ?
O8 Mo10 O27 89.2(2) . . ?
O20 Mo10 O23 84.4(2) . . ?
O22 Mo10 O20 84.4(2) . . ?
O22 Mo10 O23 85.1(2) . . ?
O22 Mo10 O27 157.5(2) . . ?
O27 Mo10 O20 87.1(2) . . ?
O27 Mo10 O23 73.3(2) . . ?
O34 Mo10 O8 101.0(3) . . ?
O34 Mo10 O20 99.8(3) . . ?
O34 Mo10 O22 101.6(3) . . ?
O34 Mo10 O23 172.3(3) . . ?
O34 Mo10 O27 100.3(3) . . ?
O19 Mo7 O23 84.3(2) . . ?
O19 Mo7 O26 156.5(2) . . ?
O19 Mo7 O28 85.7(3) . . ?
O26 Mo7 O23 72.86(19) . . ?
O26 Mo7 O28 86.5(2) . . ?
O27 Mo7 O19 90.3(3) . . ?
O27 Mo7 O23 73.5(2) . . ?
O27 Mo7 O26 88.5(2) . . ?
O27 Mo7 O28 157.6(2) . . ?
O28 Mo7 O23 84.1(2) . . ?
O39 Mo7 O19 102.1(3) . . ?
O39 Mo7 O23 171.3(3) . . ?
O39 Mo7 O26 101.2(3) . . ?
O39 Mo7 O27 100.4(3) . . ?
O39 Mo7 O28 102.0(3) . . ?
O10 Ag1 O37 79.6(2) . 3_666 ?
O10 Ag1 N4 161.7(2) . . ?
O37 Ag1 N4 90.5(2) 3_666 . ?
N1 Ag1 O10 121.6(2) . . ?
N1 Ag1 O37 140.0(3) . 3_666 ?
N1 Ag1 N4 75.6(3) . . ?
N5 Ag2 O25 98.2(3) . . ?
N5 Ag2 N8 76.0(4) . . ?
N8 Ag2 O25 146.0(3) . . ?
O9 Si1 O6 109.7(3) . . ?
O9 Si1 O15 109.2(3) . . ?
O15 Si1 O6 109.2(3) . . ?
O23 Si1 O6 109.7(3) . . ?
O23 Si1 O9 109.9(3) . . ?
O23 Si1 O15 109.1(3) . . ?
Mo1 O1 Mo4 148.5(3) . . ?
Mo6 O2 Mo1 151.6(3) . . ?
Mo4 O3 Mo6 151.5(3) . . ?
Mo5 O4 Mo4 120.0(3) . . ?
Mo4 O6 Mo5 92.42(17) . . ?
Mo4 O6 Mo12 92.13(17) . . ?
Mo5 O6 Mo12 90.89(17) . . ?
Si1 O6 Mo4 123.9(3) . . ?
Si1 O6 Mo5 123.8(3) . . ?
Si1 O6 Mo12 124.2(3) . . ?
Mo3 O5 Mo1 120.0(3) . . ?
Mo11 O7 Mo6 119.7(3) . . ?
Mo10 O8 Mo8 120.6(3) . . ?
Mo1 O9 Mo3 90.89(18) . . ?
Mo1 O9 Mo2 91.47(17) . . ?
Mo2 O9 Mo3 91.19(16) . . ?
Si1 O9 Mo1 124.8(3) . . ?
Si1 O9 Mo3 124.2(3) . . ?
Si1 O9 Mo2 124.2(3) . . ?
Mo4 O10 Mo12 119.9(3) . . ?
Mo4 O10 Ag1 114.4(2) . . ?
Mo12 O10 Ag1 125.3(2) . . ?
Mo6 O11 Mo9 119.6(3) . . ?
Mo5 O12 Mo12 120.9(3) . . ?
Mo9 O13 Mo11 120.6(3) . . ?
Mo2 O14 Mo5 150.5(3) . . ?
Mo6 O15 Mo9 91.12(17) . . ?
Mo6 O15 Mo11 91.51(17) . . ?
Mo11 O15 Mo9 91.51(17) . . ?
Si1 O15 Mo6 124.7(3) . . ?
Si1 O15 Mo9 123.9(3) . . ?
Si1 O15 Mo11 124.2(3) . . ?
Mo3 O16 Mo9 151.4(3) . . ?
Mo12 O17 Mo11 149.0(3) . . ?
Mo9 O18 Mo8 149.4(3) . . ?
Mo7 O19 Mo5 153.0(3) . . ?
Mo12 O20 Mo10 150.9(3) . . ?
Mo8 O21 Mo3 151.6(3) . . ?
Mo10 O22 Mo11 152.4(3) . . ?
Mo8 O23 Mo10 91.13(17) . . ?
Mo8 O23 Mo7 90.73(17) . . ?
Mo10 O23 Mo7 90.30(17) . . ?
Si1 O23 Mo8 124.7(3) . . ?
Si1 O23 Mo10 125.0(3) . . ?
Si1 O23 Mo7 124.6(3) . . ?
Mo1 O24 Mo2 119.7(3) . . ?
Mo3 O25 Mo2 122.0(3) . . ?
Mo3 O25 Ag2 115.3(2) . . ?
Mo2 O25 Ag2 99.5(2) . . ?
Mo8 O26 Mo7 122.6(3) . . ?
Mo8 O26 Ag2A 107.8(3) . . ?
Mo7 O26 Ag2A 108.1(3) . . ?
Mo7 O27 Mo10 122.8(3) . . ?
Mo2 O28 Mo7 149.7(3) . . ?
Mo5 O37 Ag1 145.8(3) . 3_666 ?
C13 C9 C8 121.2(7) . . ?
C10 C9 C8 119.5(7) . . ?
C10 C9 C13 119.3(7) . . ?
C4 N4 Ag1 109.6(5) . . ?
C5 N4 Ag1 133.6(6) . . ?
C5 N4 C4 116.8(8) . . ?
C4 C8 C9 120.4(7) . . ?
C4 C8 C7 117.2(8) . . ?
C7 C8 C9 122.3(8) . . ?
C2 N2 H2 126.8 . . ?
C1 N2 H2 126.8 . . ?
C1 N2 C2 106.4(8) . . ?
C16 N6 H6 128.1 . . ?
C14 N6 H6 128.1 . . ?
C14 N6 C16 103.8(13) . . ?
N2 C2 C13 130.9(8) . . ?
C3 C2 N2 105.6(8) . . ?
C3 C2 C13 123.5(8) . . ?
C9 C13 C2 115.9(7) . . ?
C9 C13 N3 119.6(8) . . ?
C2 C13 N3 124.4(8) . . ?
C3 N1 Ag1 108.8(6) . . ?
C1 N1 Ag1 147.2(7) . . ?
C1 N1 C3 103.9(8) . . ?
N6 C16 C17 132.9(13) . . ?
C15 C16 N6 106.2(12) . . ?
C15 C16 C17 120.8(13) . . ?
N4 C4 C8 124.2(8) . . ?
N4 C4 C3 118.8(8) . . ?
C8 C4 C3 116.9(8) . . ?
C12 N3 C13 119.3(9) . . ?
N6 C14 H14 121.5 . . ?
N5 C14 N6 117.1(17) . . ?
N5 C14 H14 121.5 . . ?
C2 C3 N1 110.9(8) . . ?
C2 C3 C4 121.9(8) . . ?
N1 C3 C4 127.1(8) . . ?
N4 C5 H5 118.7 . . ?
N4 C5 C6 122.7(9) . . ?
C6 C5 H5 118.7 . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.7(9) . . ?
C11 C10 H10 119.2 . . ?
C16 C15 N5 109.9(11) . . ?
C26 C15 C16 121.5(11) . . ?
C26 C15 N5 128.6(11) . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 120.9(9) . . ?
C12 C11 H11 119.5 . . ?
C14 N5 Ag2 151.0(13) . . ?
C14 N5 C15 102.6(13) . . ?
C15 N5 Ag2 106.0(8) . . ?
N3 C12 H12 120.4 . . ?
C11 C12 N3 119.2(9) . . ?
C11 C12 H12 120.4 . . ?
C8 C7 H7 121.3 . . ?
C6 C7 C8 117.4(9) . . ?
C6 C7 H7 121.3 . . ?
N2 C1 H1 123.5 . . ?
N1 C1 N2 113.1(9) . . ?
N1 C1 H1 123.5 . . ?
C5 C6 H6A 119.3 . . ?
C7 C6 C5 121.5(9) . . ?
C7 C6 H6A 119.3 . . ?
N8 C25 H25 120.0 . . ?
N8 C25 C24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 N8 Ag2 130.1(4) . . ?
C26 N8 Ag2 109.8(4) . . ?
C26 N8 C25 120.0 . . ?
C15 C26 N8 119.5(8) . . ?
C15 C26 C22 120.5(8) . . ?
N8 C26 C22 120.0 . . ?
C26 C22 C21 117.4(8) . . ?
C23 C22 C26 120.0 . . ?
C23 C22 C21 122.3(8) . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C17 C21 C22 120.6(16) . . ?
C20 C21 C22 116.1(16) . . ?
C20 C21 C17 123(2) . . ?
C21 C17 C16 118.9(17) . . ?
C21 C17 N7 119.6(18) . . ?
N7 C17 C16 121.4(13) . . ?
C17 N7 C18 116.5(15) . . ?
N7 C18 H18 121.0 . . ?
C19 C18 N7 118.0(19) . . ?
C19 C18 H18 121.0 . . ?
C18 C19 H19 120.6 . . ?
C20 C19 C18 119(2) . . ?
C20 C19 H19 120.6 . . ?
C21 C20 H20 118.5 . . ?
C19 C20 C21 123(2) . . ?
C19 C20 H20 118.5 . . ?
H1WA O1W H1WB 107.9 . . ?
N8A C26A C22A 120.5(13) . . ?
C15A C26A N8A 119.2(13) . . ?
C15A C26A C22A 120.3(13) . . ?
O26 Ag2A N5A 106.6(4) . . ?
O26 Ag2A N8A 149.4(5) . . ?
O26 Ag2A O0AA 106.5(7) . . ?
N8A Ag2A N5A 76.2(5) . . ?
O0AA Ag2A N5A 100.4(9) . . ?
O0AA Ag2A N8A 102.9(8) . . ?
C14A N5A Ag2A 150.9(14) . . ?
C14A N5A C15A 103.8(15) . . ?
C15A N5A Ag2A 104.6(10) . . ?
C26A N8A Ag2A 111.0(9) . . ?
C26A N8A C25A 119.9(13) . . ?
C25A N8A Ag2A 129.1(11) . . ?
N5A C14A H14A 121.5 . . ?
N5A C14A N6A 117.0(18) . . ?
N6A C14A H14A 121.5 . . ?
C26A C15A N5A 128.7(14) . . ?
C26A C15A C16A 122.4(14) . . ?
C16A C15A N5A 108.8(13) . . ?
N8A C25A H25A 119.9 . . ?
N8A C25A C24A 120.2(17) . . ?
C24A C25A H25A 119.9 . . ?
C14A N6A H6AA 128.2 . . ?
C14A N6A C16A 103.6(15) . . ?
C16A N6A H6AA 128.2 . . ?
C15A C16A N6A 106.6(13) . . ?
C15A C16A C17A 117.7(15) . . ?
N6A C16A C17A 135.5(16) . . ?
C25A C24A H24A 120.4 . . ?
C23A C24A C25A 119.1(19) . . ?
C23A C24A H24A 120.4 . . ?
C26A C22A C23A 120.0(14) . . ?
C26A C22A C21A 117.9(13) . . ?
C23A C22A C21A 122.0(14) . . ?
C21A C17A C16A 123(2) . . ?
C21A C17A N7A 119(2) . . ?
N7A C17A C16A 117.8(15) . . ?
C24A C23A H23A 120.1 . . ?
C22A C23A C24A 119.7(17) . . ?
C22A C23A H23A 120.1 . . ?
C17A C21A C22A 119(2) . . ?
C20A C21A C22A 118.3(18) . . ?
C20A C21A C17A 123(2) . . ?
C17A N7A C18A 118.1(15) . . ?
C21A C20A H20A 118.2 . . ?
C19A C20A C21A 124(3) . . ?
C19A C20A H20A 118.2 . . ?
N7A C18A H18A 121.5 . . ?
C19A C18A N7A 117.0(19) . . ?
C19A C18A H18A 121.5 . . ?
C20A C19A C18A 119(2) . . ?
C20A C19A H19A 120.6 . . ?
C18A C19A H19A 120.6 . . ?
Mo6 O40 H40 109.5 . . ?
Ag2A O0AA H0AA 110.7 . . ?
Ag2A O0AA H0AB 109.9 . . ?
H0AA O0AA H0AB 103.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N4 C4 C8 -177.1(7) . . . . ?
Ag1 N4 C4 C3 2.2(10) . . . . ?
Ag1 N4 C5 C6 -179.9(8) . . . . ?
Ag1 N1 C3 C2 176.2(7) . . . . ?
Ag1 N1 C3 C4 -0.4(13) . . . . ?
Ag1 N1 C1 N2 -175.2(10) . . . . ?
Ag2 N8 C26 C15 -3.9(10) . . . . ?
Ag2 N8 C26 C22 176.0(7) . . . . ?
O1 Mo4 O3 Mo6 -31.8(6) . . . . ?
O2 Mo6 O11 Mo9 -84.9(3) . . . . ?
O2 Mo1 O1 Mo4 -28.5(6) . . . . ?
O3 Mo6 O2 Mo1 -28.6(6) . . . . ?
O3 Mo6 O11 Mo9 -2.9(9) . . . . ?
O4 Mo4 O3 Mo6 35.7(11) . . . . ?
O4 Mo5 O19 Mo7 -42.5(12) . . . . ?
O4 Mo5 O37 Ag1 -170.1(6) . . . 3_666 ?
O6 Mo4 O3 Mo6 53.8(6) . . . . ?
O6 Mo5 O19 Mo7 -55.9(7) . . . . ?
O6 Mo12 O20 Mo10 56.4(7) . . . . ?
O6 Si1 O9 Mo1 58.3(4) . . . . ?
O6 Si1 O9 Mo3 178.0(3) . . . . ?
O6 Si1 O9 Mo2 -62.4(4) . . . . ?
O6 Si1 O15 Mo6 -62.5(4) . . . . ?
O6 Si1 O15 Mo9 177.8(3) . . . . ?
O6 Si1 O15 Mo11 58.1(4) . . . . ?
O6 Si1 O23 Mo8 178.9(3) . . . . ?
O6 Si1 O23 Mo10 -60.1(4) . . . . ?
O6 Si1 O23 Mo7 59.2(4) . . . . ?
O5 Mo1 O1 Mo4 44.5(10) . . . . ?
O5 Mo3 O16 Mo9 131.7(6) . . . . ?
O7 Mo6 O2 Mo1 35.5(11) . . . . ?
O7 Mo6 O11 Mo9 74.3(3) . . . . ?
O8 Mo8 O21 Mo3 36.7(12) . . . . ?
O9 Mo1 O1 Mo4 55.3(6) . . . . ?
O9 Mo3 O16 Mo9 57.3(6) . . . . ?
O9 Si1 O6 Mo4 -60.6(4) . . . . ?
O9 Si1 O6 Mo5 60.1(4) . . . . ?
O9 Si1 O6 Mo12 178.6(3) . . . . ?
O9 Si1 O15 Mo6 57.4(4) . . . . ?
O9 Si1 O15 Mo9 -62.2(4) . . . . ?
O9 Si1 O15 Mo11 178.0(3) . . . . ?
O9 Si1 O23 Mo8 58.3(4) . . . . ?
O9 Si1 O23 Mo10 179.2(3) . . . . ?
O9 Si1 O23 Mo7 -61.4(4) . . . . ?
O10 Mo4 O3 Mo6 128.6(6) . . . . ?
O10 Mo12 O20 Mo10 46.9(11) . . . . ?
O11 Mo6 O2 Mo1 131.6(6) . . . . ?
O11 Mo9 O18 Mo8 49.5(11) . . . . ?
O12 Mo5 O19 Mo7 -130.6(7) . . . . ?
O12 Mo5 O37 Ag1 -78.7(6) . . . 3_666 ?
O12 Mo12 O20 Mo10 129.7(7) . . . . ?
O13 Mo9 O18 Mo8 132.2(6) . . . . ?
O14 Mo5 O19 Mo7 29.4(7) . . . . ?
O14 Mo5 O37 Ag1 100.3(6) . . . 3_666 ?
O15 Mo6 O2 Mo1 55.8(6) . . . . ?
O15 Mo6 O11 Mo9 0.2(3) . . . . ?
O15 Mo9 O18 Mo8 58.4(6) . . . . ?
O15 Si1 O6 Mo4 59.0(4) . . . . ?
O15 Si1 O6 Mo5 179.8(3) . . . . ?
O15 Si1 O6 Mo12 -61.7(4) . . . . ?
O15 Si1 O9 Mo1 -61.3(4) . . . . ?
O15 Si1 O9 Mo3 58.4(4) . . . . ?
O15 Si1 O9 Mo2 178.0(3) . . . . ?
O15 Si1 O23 Mo8 -61.5(4) . . . . ?
O15 Si1 O23 Mo10 59.4(4) . . . . ?
O15 Si1 O23 Mo7 178.8(3) . . . . ?
O16 Mo9 O18 Mo8 -25.8(6) . . . . ?
O17 Mo12 O20 Mo10 -28.4(7) . . . . ?
O18 Mo8 O21 Mo3 -31.9(7) . . . . ?
O19 Mo5 O37 Ag1 13.5(7) . . . 3_666 ?
O19 Mo7 O27 Mo10 -86.1(3) . . . . ?
O20 Mo10 O8 Mo8 -8.8(9) . . . . ?
O21 Mo3 O16 Mo9 -27.2(6) . . . . ?
O22 Mo10 O8 Mo8 -86.7(3) . . . . ?
O23 Mo8 O21 Mo3 52.5(7) . . . . ?
O23 Mo10 O8 Mo8 -2.1(3) . . . . ?
O23 Mo7 O19 Mo5 54.6(7) . . . . ?
O23 Mo7 O27 Mo10 -2.1(3) . . . . ?
O23 Si1 O6 Mo4 178.5(3) . . . . ?
O23 Si1 O6 Mo5 -60.7(4) . . . . ?
O23 Si1 O6 Mo12 57.8(4) . . . . ?
O23 Si1 O9 Mo1 179.0(3) . . . . ?
O23 Si1 O9 Mo3 -61.3(4) . . . . ?
O23 Si1 O9 Mo2 58.3(4) . . . . ?
O23 Si1 O15 Mo6 177.6(3) . . . . ?
O23 Si1 O15 Mo9 58.0(4) . . . . ?
O23 Si1 O15 Mo11 -61.8(4) . . . . ?
O24 Mo1 O1 Mo4 130.0(6) . . . . ?
O25 Mo3 O16 Mo9 37.4(10) . . . . ?
O26 Mo8 O21 Mo3 126.2(7) . . . . ?
O26 Mo7 O19 Mo5 40.9(12) . . . . ?
O26 Mo7 O27 Mo10 70.4(3) . . . . ?
O27 Mo10 O8 Mo8 70.8(3) . . . . ?
O27 Mo7 O19 Mo5 128.0(7) . . . . ?
O28 Mo7 O19 Mo5 -30.0(7) . . . . ?
O28 Mo7 O27 Mo10 -6.6(9) . . . . ?
O29 Mo4 O3 Mo6 -131.2(6) . . . . ?
O30 Mo1 O1 Mo4 -129.8(6) . . . . ?
O32 Mo12 O20 Mo10 -129.8(7) . . . . ?
O33 Mo8 O21 Mo3 -133.3(7) . . . . ?
O34 Mo10 O8 Mo8 171.1(4) . . . . ?
O35 Mo9 O18 Mo8 -127.4(6) . . . . ?
O37 Mo5 O19 Mo7 127.7(7) . . . . ?
O38 Mo3 O16 Mo9 -128.0(6) . . . . ?
O39 Mo7 O19 Mo5 -131.3(7) . . . . ?
O39 Mo7 O27 Mo10 171.5(4) . . . . ?
C9 C8 C4 N4 176.2(8) . . . . ?
C9 C8 C4 C3 -3.1(13) . . . . ?
C9 C8 C7 C6 -178.9(10) . . . . ?
C9 C13 N3 C12 1.4(13) . . . . ?
C9 C10 C11 C12 -0.3(15) . . . . ?
N4 C4 C3 C2 -177.6(9) . . . . ?
N4 C4 C3 N1 -1.3(15) . . . . ?
N4 C5 C6 C7 -2.9(19) . . . . ?
C8 C9 C13 C2 -1.9(11) . . . . ?
C8 C9 C13 N3 -179.6(8) . . . . ?
C8 C9 C10 C11 179.1(8) . . . . ?
C8 C4 C3 C2 1.7(14) . . . . ?
C8 C4 C3 N1 178.0(9) . . . . ?
C8 C7 C6 C5 2.4(19) . . . . ?
N2 C2 C13 C9 -178.0(9) . . . . ?
N2 C2 C13 N3 -0.5(16) . . . . ?
N2 C2 C3 N1 1.6(11) . . . . ?
N2 C2 C3 C4 178.4(9) . . . . ?
N6 C16 C15 N5 -1.5(18) . . . . ?
N6 C16 C15 C26 178.2(14) . . . . ?
N6 C16 C17 C21 -175(2) . . . . ?
N6 C16 C17 N7 1(4) . . . . ?
N6 C14 N5 Ag2 176.8(19) . . . . ?
N6 C14 N5 C15 6(4) . . . . ?
C2 N2 C1 N1 -0.7(14) . . . . ?
C2 C13 N3 C12 -176.1(9) . . . . ?
C13 C9 C8 C4 3.3(12) . . . . ?
C13 C9 C8 C7 -177.5(9) . . . . ?
C13 C9 C10 C11 1.4(13) . . . . ?
C13 C2 C3 N1 -177.2(9) . . . . ?
C13 C2 C3 C4 -0.4(15) . . . . ?
C13 N3 C12 C11 -0.2(14) . . . . ?
C16 N6 C14 N5 -7(4) . . . . ?
C16 C15 N5 Ag2 -177.9(10) . . . . ?
C16 C15 N5 C14 -3(3) . . . . ?
C16 C15 C26 N8 -178.6(12) . . . . ?
C16 C15 C26 C22 1.5(18) . . . . ?
C16 C17 N7 C18 -180(2) . . . . ?
C4 N4 C5 C6 0.3(16) . . . . ?
C4 C8 C7 C6 0.4(16) . . . . ?
C14 N6 C16 C15 5(3) . . . . ?
C14 N6 C16 C17 -179(3) . . . . ?
C3 C2 C13 C9 0.5(13) . . . . ?
C3 C2 C13 N3 178.1(9) . . . . ?
C3 N1 C1 N2 1.6(14) . . . . ?
C5 N4 C4 C8 2.8(14) . . . . ?
C5 N4 C4 C3 -178.0(9) . . . . ?
C10 C9 C8 C4 -174.3(8) . . . . ?
C10 C9 C8 C7 4.9(13) . . . . ?
C10 C9 C13 C2 175.8(8) . . . . ?
C10 C9 C13 N3 -1.9(12) . . . . ?
C10 C11 C12 N3 -0.3(15) . . . . ?
C15 C16 C17 C21 0(3) . . . . ?
C15 C16 C17 N7 177(2) . . . . ?
C15 C26 C22 C23 180.0(12) . . . . ?
C15 C26 C22 C21 -5.6(16) . . . . ?
N5 C15 C26 N8 1.0(19) . . . . ?
N5 C15 C26 C22 -178.9(13) . . . . ?
C7 C8 C4 N4 -3.1(14) . . . . ?
C7 C8 C4 C3 177.6(9) . . . . ?
C1 N2 C2 C13 178.1(10) . . . . ?
C1 N2 C2 C3 -0.6(11) . . . . ?
C1 N1 C3 C2 -2.0(12) . . . . ?
C1 N1 C3 C4 -178.6(10) . . . . ?
C25 N8 C26 C15 -180.0(12) . . . . ?
C25 N8 C26 C22 0.0 . . . . ?
N8 C25 C24 C23 0.0 . . . . ?
N8 C26 C22 C23 0.0 . . . . ?
N8 C26 C22 C21 174.5(14) . . . . ?
C26 C15 N5 Ag2 2.5(18) . . . . ?
C26 C15 N5 C14 178(2) . . . . ?
C26 C22 C23 C24 0.0 . . . . ?
C26 C22 C21 C17 7(2) . . . . ?
C26 C22 C21 C20 -177.9(18) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C22 C21 C17 C16 -5(3) . . . . ?
C22 C21 C17 N7 179(2) . . . . ?
C22 C21 C20 C19 176(2) . . . . ?
C23 C22 C21 C17 -178.4(16) . . . . ?
C23 C22 C21 C20 -4(2) . . . . ?
C24 C25 N8 Ag2 -175.1(9) . . . . ?
C24 C25 N8 C26 0.0 . . . . ?
C21 C22 C23 C24 -174.2(15) . . . . ?
C21 C17 N7 C18 -4(3) . . . . ?
C17 C16 C15 N5 -178.2(18) . . . . ?
C17 C16 C15 C26 1(2) . . . . ?
C17 C21 C20 C19 -9(4) . . . . ?
C17 N7 C18 C19 6(4) . . . . ?
N7 C18 C19 C20 -10(4) . . . . ?
C18 C19 C20 C21 11(4) . . . . ?
C20 C21 C17 C16 -179(2) . . . . ?
C20 C21 C17 N7 5(3) . . . . ?
C26A N8A C25A C24A 5(4) . . . . ?
C26A C15A C16A N6A 179(2) . . . . ?
C26A C15A C16A C17A 3(3) . . . . ?
C26A C22A C23A C24A -5(5) . . . . ?
C26A C22A C21A C17A 2(5) . . . . ?
C26A C22A C21A C20A -178(4) . . . . ?
Ag2A N5A C14A N6A -171(3) . . . . ?
Ag2A N5A C15A C26A -5(3) . . . . ?
Ag2A N5A C15A C16A 178.9(13) . . . . ?
Ag2A N8A C25A C24A -179(2) . . . . ?
N5A C14A N6A C16A 1(3) . . . . ?
N5A C15A C16A N6A -5(2) . . . . ?
N5A C15A C16A C17A 180(2) . . . . ?
N8A C26A C15A N5A 3(3) . . . . ?
N8A C26A C15A C16A 178.4(19) . . . . ?
N8A C26A C22A C23A 1(4) . . . . ?
N8A C26A C22A C21A 179(3) . . . . ?
N8A C25A C24A C23A -8(5) . . . . ?
C14A N5A C15A C26A -179(2) . . . . ?
C14A N5A C15A C16A 5(2) . . . . ?
C14A N6A C16A C15A 2(2) . . . . ?
C14A N6A C16A C17A 177(3) . . . . ?
C15A C26A N8A Ag2A 1(2) . . . . ?
C15A C26A N8A C25A 178(2) . . . . ?
C15A C26A C22A C23A -178(3) . . . . ?
C15A C26A C22A C21A 0(4) . . . . ?
C15A N5A C14A N6A -4(3) . . . . ?
C15A C16A C17A C21A -2(4) . . . . ?
C15A C16A C17A N7A -179(2) . . . . ?
C25A C24A C23A C22A 8(6) . . . . ?
N6A C16A C17A C21A -177(3) . . . . ?
N6A C16A C17A N7A 7(5) . . . . ?
C16A C17A C21A C22A 0(5) . . . . ?
C16A C17A C21A C20A 180(4) . . . . ?
C16A C17A N7A C18A 179(2) . . . . ?
C22A C26A N8A Ag2A -178(2) . . . . ?
C22A C26A N8A C25A -1(3) . . . . ?
C22A C26A C15A N5A -177(2) . . . . ?
C22A C26A C15A C16A -2(3) . . . . ?
C22A C21A C20A C19A -175(4) . . . . ?
C17A C21A C20A C19A 5(7) . . . . ?
C17A N7A C18A C19A -2(3) . . . . ?
C23A C22A C21A C17A 179(3) . . . . ?
C23A C22A C21A C20A 0(5) . . . . ?
C21A C22A C23A C24A 178(4) . . . . ?
C21A C17A N7A C18A 3(4) . . . . ?
C21A C20A C19A C18A -5(6) . . . . ?
N7A C17A C21A C22A 176(3) . . . . ?
N7A C17A C21A C20A -4(5) . . . . ?
N7A C18A C19A C20A 4(4) . . . . ?
O40 Mo6 O2 Mo1 -127.8(6) . . . . ?
O40 Mo6 O11 Mo9 172.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
