# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1959363'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C73 H117 Ag2 Mo8 N5 O28 P2'
_chemical_formula_weight         2557.91

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.5619(3)
_cell_length_b                   16.8748(2)
_cell_length_c                   16.9072(2)
_cell_angle_alpha                92.0270(10)
_cell_angle_beta                 100.3140(10)
_cell_angle_gamma                98.9260(10)
_cell_volume                     4582.84(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    22539
_cell_measurement_theta_min      3.5440
_cell_measurement_theta_max      29.4250

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_F_000             2548
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.582
_shelx_estimated_absorpt_T_min   0.764
_shelx_estimated_absorpt_T_max   0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.97952
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            43858
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.316
_diffrn_reflns_theta_max         29.638
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.829
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.829
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.829
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             21452
_reflns_number_gt                17765
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0216P)²+1.8031P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21452
_refine_ls_number_parameters     1049
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0263
_refine_ls_wR_factor_ref         0.0581
_refine_ls_wR_factor_gt          0.0551
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.17240(16) 0.53664(15) 1.22257(15) 0.0196(6) Uani 1 1 d . . . . .
C2 C 0.24176(19) 0.59256(18) 1.22306(19) 0.0350(7) Uani 1 1 d . . . . .
H2 H 0.281219 0.582798 1.190975 0.042 Uiso 1 1 calc R U . . .
N2 N -0.00637(16) 0.93202(16) 0.59067(16) 0.0367(7) Uani 1 1 d . . . . .
C3 C 0.2542(2) 0.66391(19) 1.2709(2) 0.0408(8) Uani 1 1 d . . . . .
H3 H 0.302981 0.702525 1.273081 0.049 Uiso 1 1 calc R U . . .
C4 C 0.19508(19) 0.67761(17) 1.31467(18) 0.0298(7) Uani 1 1 d . . . . .
H4 H 0.201350 0.726748 1.346065 0.036 Uiso 1 1 calc R U . . .
N4 N 0.11480(15) 0.54845(15) 1.26845(15) 0.0319(6) Uani 1 1 d . . . . .
C40 C 0.1988(2) 0.4782(2) 0.4629(2) 0.0484(9) Uani 1 1 d . . . . .
H40A H 0.168284 0.476941 0.407455 0.073 Uiso 1 1 calc R U . . .
H40B H 0.238890 0.440862 0.465782 0.073 Uiso 1 1 calc R U . . .
H40C H 0.159529 0.462130 0.498728 0.073 Uiso 1 1 calc R U . . .
C41 C 0.10526(17) 0.99793(16) 0.18079(15) 0.0209(6) Uani 1 1 d . . . . .
C42 C 0.14393(18) 1.07557(17) 0.20772(16) 0.0270(6) Uani 1 1 d . . . . .
H42A H 0.195363 1.084496 0.244731 0.032 Uiso 1 1 calc R U . . .
C43 C 0.03072(17) 0.98543(17) 0.12741(17) 0.0266(6) Uani 1 1 d . . . . .
H43A H 0.004519 0.932267 0.108798 0.032 Uiso 1 1 calc R U . . .
C44 C -0.0058(2) 1.04951(19) 0.1011(2) 0.0392(8) Uani 1 1 d . . . . .
H44A H -0.057550 1.040574 0.064563 0.047 Uiso 1 1 calc R U . . .
C45 C 0.0324(2) 1.12745(19) 0.12731(19) 0.0360(8) Uani 1 1 d . . . . .
H45A H 0.006946 1.171788 0.108757 0.043 Uiso 1 1 calc R U . . .
C46 C 0.1066(2) 1.14001(18) 0.17993(18) 0.0340(7) Uani 1 1 d . . . . .
H46A H 0.132957 1.193335 0.197700 0.041 Uiso 1 1 calc R U . . .
C53 C 0.71929(17) 0.85439(16) 0.12490(16) 0.0219(6) Uani 1 1 d . . . . .
H53A H 0.725729 0.797227 0.128765 0.026 Uiso 1 1 calc R U . . .
H53B H 0.678835 0.857852 0.074884 0.026 Uiso 1 1 calc R U . . .
C54 C 0.8020(2) 0.90143(19) 0.11577(19) 0.0369(8) Uani 1 1 d . . . . .
H54A H 0.846835 0.887689 0.157497 0.044 Uiso 1 1 calc R U . . .
H54B H 0.801113 0.959769 0.122713 0.044 Uiso 1 1 calc R U . . .
C55 C 0.8187(2) 0.88058(19) 0.03114(19) 0.0364(8) Uani 1 1 d . . . . .
H55A H 0.771308 0.890936 -0.009678 0.044 Uiso 1 1 calc R U . . .
H55B H 0.869029 0.916766 0.022571 0.044 Uiso 1 1 calc R U . . .
C56 C 0.8308(2) 0.7951(2) 0.0181(2) 0.0463(9) Uani 1 1 d . . . . .
H56A H 0.841087 0.786129 -0.036607 0.070 Uiso 1 1 calc R U . . .
H56B H 0.878578 0.784565 0.057280 0.070 Uiso 1 1 calc R U . . .
H56C H 0.780739 0.758704 0.024991 0.070 Uiso 1 1 calc R U . . .
C57 C 0.67077(18) 0.96642(16) 0.19619(17) 0.0274(7) Uani 1 1 d . . . . .
H57A H 0.645845 0.978705 0.243296 0.033 Uiso 1 1 calc R U . . .
H57B H 0.726509 1.000000 0.203758 0.033 Uiso 1 1 calc R U . . .
C58 C 0.6176(2) 0.99053(17) 0.12151(18) 0.0320(7) Uani 1 1 d . . . . .
H58A H 0.562765 0.955015 0.110643 0.038 Uiso 1 1 calc R U . . .
H58B H 0.644761 0.984496 0.074561 0.038 Uiso 1 1 calc R U . . .
C59 C 0.6056(2) 1.07717(18) 0.1335(2) 0.0416(9) Uani 1 1 d . . . . .
H59A H 0.660099 1.112811 0.139615 0.050 Uiso 1 1 calc R U . . .
H59B H 0.583594 1.084014 0.183557 0.050 Uiso 1 1 calc R U . . .
C60 C 0.5459(2) 1.1016(2) 0.0628(3) 0.0597(12) Uani 1 1 d . . . . .
H60A H 0.539545 1.157692 0.072301 0.089 Uiso 1 1 calc R U . . .
H60B H 0.568086 1.095749 0.013257 0.089 Uiso 1 1 calc R U . . .
H60C H 0.491642 1.066975 0.057165 0.089 Uiso 1 1 calc R U . . .
C61 C 0.59692(16) 0.82492(16) 0.18541(15) 0.0208(6) Uani 1 1 d . . . . .
H61A H 0.565237 0.830395 0.130936 0.025 Uiso 1 1 calc R U . . .
H61B H 0.605747 0.768328 0.188478 0.025 Uiso 1 1 calc R U . . .
C62 C 0.54488(17) 0.84241(17) 0.24645(17) 0.0261(6) Uani 1 1 d . . . . .
H62A H 0.525101 0.894238 0.236467 0.031 Uiso 1 1 calc R U . . .
H62B H 0.579023 0.846868 0.301321 0.031 Uiso 1 1 calc R U . . .
C63 C 0.47043(18) 0.77514(18) 0.24052(18) 0.0313(7) Uani 1 1 d . . . . .
H63A H 0.428374 0.794623 0.267742 0.038 Uiso 1 1 calc R U . . .
H63B H 0.444896 0.762210 0.183041 0.038 Uiso 1 1 calc R U . . .
C64 C 0.4926(2) 0.69911(19) 0.2776(2) 0.0425(9) Uani 1 1 d . . . . .
H64A H 0.442307 0.658554 0.271823 0.064 Uiso 1 1 calc R U . . .
H64B H 0.533155 0.678567 0.250131 0.064 Uiso 1 1 calc R U . . .
H64C H 0.516617 0.711010 0.334913 0.064 Uiso 1 1 calc R U . . .
C65 C 0.73603(17) 0.86830(17) 0.27538(16) 0.0246(6) Uani 1 1 d . . . . .
H65A H 0.792428 0.898335 0.275743 0.029 Uiso 1 1 calc R U . . .
H65B H 0.713756 0.893688 0.318712 0.029 Uiso 1 1 calc R U . . .
C66 C 0.74436(18) 0.78301(17) 0.29609(16) 0.0284(7) Uani 1 1 d . . . . .
H66A H 0.773665 0.758541 0.257834 0.034 Uiso 1 1 calc R U . . .
H66B H 0.688515 0.750325 0.291894 0.034 Uiso 1 1 calc R U . . .
C67 C 0.79318(19) 0.7843(2) 0.38161(17) 0.0339(8) Uani 1 1 d . . . . .
H67A H 0.849459 0.815694 0.384502 0.041 Uiso 1 1 calc R U . . .
H67B H 0.765055 0.811924 0.418782 0.041 Uiso 1 1 calc R U . . .
C68 C 0.8013(2) 0.7011(2) 0.40916(19) 0.0456(9) Uani 1 1 d . . . . .
H68A H 0.833130 0.705444 0.464338 0.068 Uiso 1 1 calc R U . . .
H68B H 0.745828 0.670083 0.407640 0.068 Uiso 1 1 calc R U . . .
H68C H 0.830263 0.673854 0.373348 0.068 Uiso 1 1 calc R U . . .
C69 C 0.07417(17) 0.83167(16) 0.22008(17) 0.0262(6) Uani 1 1 d . . . . .
C70 C 0.04289(19) 0.82509(19) 0.2906(2) 0.0352(7) Uani 1 1 d . . . . .
H70A H 0.065517 0.862855 0.335027 0.042 Uiso 1 1 calc R U . . .
C71 C -0.0209(2) 0.7640(2) 0.2966(3) 0.0498(10) Uani 1 1 d . . . . .
H71A H -0.042849 0.760028 0.344788 0.060 Uiso 1 1 calc R U . . .
C72 C -0.0525(2) 0.7093(2) 0.2331(3) 0.0549(11) Uani 1 1 d . . . . .
H72A H -0.097296 0.667612 0.236302 0.066 Uiso 1 1 calc R U . . .
C73 C -0.0192(3) 0.7148(2) 0.1645(3) 0.0621(12) Uani 1 1 d . . . . .
H73A H -0.039695 0.675333 0.121174 0.074 Uiso 1 1 calc R U . . .
C74 C 0.0430(2) 0.77615(19) 0.15729(19) 0.0402(8) Uani 1 1 d . . . . .
H74A H 0.064410 0.779978 0.108784 0.048 Uiso 1 1 calc R U . . .
C39 C 0.2446(2) 0.56255(18) 0.48884(17) 0.0341(7) Uani 1 1 d . . . . .
H39A H 0.283274 0.578871 0.451783 0.041 Uiso 1 1 calc R U . . .
H39B H 0.203908 0.600140 0.484731 0.041 Uiso 1 1 calc R U . . .
C5 C 0.12709(18) 0.61983(17) 1.31268(17) 0.0291(7) Uani 1 1 d . . . . .
H5 H 0.086597 0.629806 1.343440 0.035 Uiso 1 1 calc R U . . .
C6 C -0.0037(2) 0.4741(2) 1.1092(2) 0.0552(12) Uani 1 1 d . . . . .
H6 H 0.015660 0.527261 1.132501 0.066 Uiso 1 1 calc R U . . .
C7 C 0.04892(16) 0.41920(16) 1.11631(16) 0.0201(6) Uani 1 1 d . . . . .
C8 C 0.0205(2) 0.3444(2) 1.0831(3) 0.0568(12) Uani 1 1 d . . . . .
H8 H 0.056412 0.305387 1.087298 0.068 Uiso 1 1 calc R U . . .
C9 C -0.0601(2) 0.3241(2) 1.0432(3) 0.0757(16) Uani 1 1 d . . . . .
H9 H -0.079495 0.270594 1.020867 0.091 Uiso 1 1 calc R U . . .
C10 C -0.11318(19) 0.3787(2) 1.0346(2) 0.0439(9) Uani 1 1 d . . . . .
H10 H -0.168492 0.364275 1.005405 0.053 Uiso 1 1 calc R U . . .
C11 C -0.0854(2) 0.4535(2) 1.0684(2) 0.0581(12) Uani 1 1 d . . . . .
H11 H -0.121566 0.492240 1.064414 0.070 Uiso 1 1 calc R U . . .
C12 C 0.17191(18) 0.36813(16) 1.24000(15) 0.0227(6) Uani 1 1 d . . . . .
C13 C 0.2488(2) 0.34349(19) 1.2581(2) 0.0378(8) Uani 1 1 d . . . . .
H13 H 0.290857 0.361613 1.228270 0.045 Uiso 1 1 calc R U . . .
C14 C 0.2645(2) 0.2925(2) 1.3195(2) 0.0505(10) Uani 1 1 d . . . . .
H14 H 0.317534 0.276326 1.332100 0.061 Uiso 1 1 calc R U . . .
C15 C 0.2044(2) 0.2656(2) 1.3615(2) 0.0448(9) Uani 1 1 d . . . . .
H15 H 0.215621 0.230950 1.403819 0.054 Uiso 1 1 calc R U . . .
C16 C 0.1271(2) 0.2883(2) 1.34305(19) 0.0442(9) Uani 1 1 d . . . . .
H16 H 0.084743 0.268435 1.371865 0.053 Uiso 1 1 calc R U . . .
C17 C 0.1110(2) 0.34019(18) 1.28256(17) 0.0341(7) Uani 1 1 d . . . . .
H17 H 0.057967 0.356426 1.270478 0.041 Uiso 1 1 calc R U . . .
C18 C 0.0936(3) 0.5135(3) 0.6862(3) 0.0850(16) Uani 1 1 d . . . . .
H18A H 0.057807 0.464840 0.697307 0.127 Uiso 1 1 calc R U . . .
H18B H 0.144658 0.499120 0.672225 0.127 Uiso 1 1 calc R U . . .
H18C H 0.107788 0.550930 0.734092 0.127 Uiso 1 1 calc R U . . .
C19 C 0.0499(3) 0.5514(3) 0.6192(3) 0.0666(12) Uani 1 1 d . . . . .
H19A H 0.034561 0.512670 0.571533 0.080 Uiso 1 1 calc R U . . .
H19B H -0.002275 0.564433 0.633345 0.080 Uiso 1 1 calc R U . . .
C20 C 0.0580(3) 0.6606(3) 0.5343(2) 0.0658(13) Uani 1 1 d . . . . .
H20A H 0.006225 0.676053 0.546909 0.079 Uiso 1 1 calc R U . . .
H20B H 0.042853 0.623129 0.485645 0.079 Uiso 1 1 calc R U . . .
C21 C 0.1138(3) 0.7335(2) 0.5178(2) 0.0674(14) Uani 1 1 d . . . . .
H21A H 0.085322 0.759424 0.472431 0.101 Uiso 1 1 calc R U . . .
H21B H 0.128085 0.771043 0.565685 0.101 Uiso 1 1 calc R U . . .
H21C H 0.164676 0.718172 0.504482 0.101 Uiso 1 1 calc R U . . .
C22 C -0.09515(19) 0.9344(2) 0.5787(2) 0.0426(9) Uani 1 1 d . . . . .
H22A H -0.108923 0.955126 0.628688 0.064 Uiso 1 1 calc R U . . .
H22B H -0.110007 0.969737 0.535521 0.064 Uiso 1 1 calc R U . . .
H22C H -0.126321 0.880117 0.563891 0.064 Uiso 1 1 calc R U . . .
C23 C 0.0447(2) 0.9679(2) 0.6653(2) 0.0532(10) Uani 1 1 d . . . . .
H23A H 0.009074 0.983253 0.701687 0.080 Uiso 1 1 calc R U . . .
H23B H 0.077899 0.929044 0.690443 0.080 Uiso 1 1 calc R U . . .
H23C H 0.081851 1.015718 0.654462 0.080 Uiso 1 1 calc R U . . .
C24 C 0.0273(2) 0.9060(2) 0.5310(2) 0.0461(9) Uani 1 1 d . . . . .
H24A H 0.085854 0.907765 0.541311 0.055 Uiso 1 1 calc R U . . .
C25 C 0.1603(2) 0.7810(2) 0.7695(2) 0.0530(10) Uani 1 1 d . . . . .
H25A H 0.127197 0.777427 0.812172 0.080 Uiso 1 1 calc R U . . .
H25B H 0.188833 0.836343 0.769168 0.080 Uiso 1 1 calc R U . . .
H25C H 0.123666 0.765193 0.717246 0.080 Uiso 1 1 calc R U . . .
C26 C 0.2242(2) 0.7251(2) 0.78471(19) 0.0392(8) Uani 1 1 d . . . . .
H26A H 0.260168 0.740640 0.838102 0.047 Uiso 1 1 calc R U . . .
H26B H 0.195035 0.669526 0.786206 0.047 Uiso 1 1 calc R U . . .
C28 C 0.33793(18) 0.66742(18) 0.73802(16) 0.0273(6) Uani 1 1 d . . . . .
H28A H 0.304844 0.613298 0.738254 0.033 Uiso 1 1 calc R U . . .
H28B H 0.371372 0.681069 0.792831 0.033 Uiso 1 1 calc R U . . .
O28 O 0.09650(15) 0.62180(15) 0.59892(15) 0.0497(6) Uani 1 1 d . . . . .
C29 C 0.44280(19) 0.59341(17) 0.70222(17) 0.0287(7) Uani 1 1 d . . . . .
H29A H 0.401284 0.543778 0.698426 0.034 Uiso 1 1 calc R U . . .
H29B H 0.471624 0.603080 0.759113 0.034 Uiso 1 1 calc R U . . .
C31 C 0.5152(2) 0.4917(2) 0.64466(19) 0.0446(9) Uani 1 1 d . . . . .
H31A H 0.527038 0.472710 0.699629 0.054 Uiso 1 1 calc R U . . .
H31B H 0.461750 0.460119 0.616374 0.054 Uiso 1 1 calc R U . . .
C30 C 0.5064(2) 0.57913(18) 0.6507(2) 0.0361(8) Uani 1 1 d . . . . .
H30A H 0.488941 0.597001 0.596052 0.043 Uiso 1 1 calc R U . . .
H30B H 0.560970 0.611577 0.674577 0.043 Uiso 1 1 calc R U . . .
C32 C 0.5825(3) 0.4764(2) 0.6011(2) 0.0559(11) Uani 1 1 d . . . . .
H32A H 0.585308 0.418778 0.599023 0.084 Uiso 1 1 calc R U . . .
H32B H 0.570518 0.493837 0.546160 0.084 Uiso 1 1 calc R U . . .
H32C H 0.635842 0.506435 0.629461 0.084 Uiso 1 1 calc R U . . .
C38 C 0.29328(19) 0.56892(18) 0.57433(17) 0.0302(7) Uani 1 1 d . . . . .
H38A H 0.254081 0.562087 0.612377 0.036 Uiso 1 1 calc R U . . .
H38B H 0.327112 0.525290 0.581147 0.036 Uiso 1 1 calc R U . . .
C37 C 0.34978(17) 0.64932(16) 0.59386(15) 0.0217(6) Uani 1 1 d . . . . .
H37A H 0.315788 0.692440 0.582887 0.026 Uiso 1 1 calc R U . . .
H37B H 0.390406 0.654250 0.557178 0.026 Uiso 1 1 calc R U . . .
C36 C 0.6430(2) 0.8582(2) 0.84026(18) 0.0384(8) Uani 1 1 d . . . . .
H36A H 0.676121 0.911182 0.838129 0.058 Uiso 1 1 calc R U . . .
H36B H 0.618039 0.857263 0.888668 0.058 Uiso 1 1 calc R U . . .
H36C H 0.678864 0.816991 0.841913 0.058 Uiso 1 1 calc R U . . .
C35 C 0.57449(18) 0.84114(17) 0.76589(16) 0.0282(6) Uani 1 1 d . . . . .
H35A H 0.599944 0.843220 0.717145 0.034 Uiso 1 1 calc R U . . .
H35B H 0.539110 0.883497 0.763906 0.034 Uiso 1 1 calc R U . . .
C34 C 0.52009(19) 0.75893(17) 0.76531(16) 0.0287(7) Uani 1 1 d . . . . .
H34A H 0.555769 0.716835 0.773187 0.034 Uiso 1 1 calc R U . . .
H34B H 0.489076 0.758702 0.810236 0.034 Uiso 1 1 calc R U . . .
C33 C 0.45894(17) 0.74054(16) 0.68554(16) 0.0239(6) Uani 1 1 d . . . . .
H33A H 0.427405 0.785681 0.676262 0.029 Uiso 1 1 calc R U . . .
H33B H 0.490987 0.737976 0.641650 0.029 Uiso 1 1 calc R U . . .
N1 N 0.68152(14) 0.87867(13) 0.19550(13) 0.0200(5) Uani 1 1 d . . . . .
N3 N 0.39716(14) 0.66281(13) 0.68004(12) 0.0216(5) Uani 1 1 d . . . . .
O1 O 0.31946(10) 0.54547(10) 0.87306(10) 0.0162(4) Uani 1 1 d . . . . .
O2 O 0.24464(11) 0.40426(11) 0.77571(10) 0.0234(4) Uani 1 1 d . . . . .
O3 O 0.34967(10) 0.33782(10) 0.89995(10) 0.0152(4) Uani 1 1 d . . . . .
O4 O 0.37548(11) 0.69867(10) 0.94843(10) 0.0208(4) Uani 1 1 d . . . . .
O5 O 0.30492(11) 0.58079(11) 1.03216(10) 0.0199(4) Uani 1 1 d . . . . .
O6 O 0.47758(10) 0.61560(9) 1.05896(9) 0.0123(3) Uani 1 1 d . . . . .
O7 O 0.22806(11) 0.41894(11) 0.93199(11) 0.0207(4) Uani 1 1 d . . . . .
O8 O 0.41588(10) 0.47614(9) 0.98471(9) 0.0126(3) Uani 1 1 d . . . . .
O9 O 0.43870(11) 0.24734(10) 1.00659(10) 0.0186(4) Uani 1 1 d . . . . .
O10 O 0.50830(10) 0.40085(10) 1.08709(9) 0.0133(4) Uani 1 1 d . . . . .
O11 O 0.33982(11) 0.34103(10) 1.06313(10) 0.0191(4) Uani 1 1 d . . . . .
O12 O 0.57876(10) 0.54416(10) 1.17314(9) 0.0153(4) Uani 1 1 d . . . . .
O13 O 0.40944(11) 0.49721(10) 1.15371(10) 0.0179(4) Uani 1 1 d . . . . .
O14 O -0.01079(15) 0.87976(17) 0.46382(16) 0.0639(8) Uani 1 1 d . . . . .
O15 O 0.34867(10) 0.84257(10) 0.54595(10) 0.0161(4) Uani 1 1 d . . . . .
O16 O 0.43785(11) 0.74646(10) 0.46829(11) 0.0211(4) Uani 1 1 d . . . . .
O17 O 0.50724(10) 0.89527(10) 0.41590(9) 0.0131(3) Uani 1 1 d . . . . .
O18 O 0.57751(10) 1.03347(10) 0.35348(9) 0.0153(4) Uani 1 1 d . . . . .
O19 O 0.40823(11) 0.98501(10) 0.31497(10) 0.0176(4) Uani 1 1 d . . . . .
O20 O 0.47724(10) 1.11145(10) 0.43334(9) 0.0138(4) Uani 1 1 d . . . . .
O21 O 0.33734(11) 0.83554(10) 0.37873(10) 0.0189(4) Uani 1 1 d . . . . .
O22 O 0.41550(10) 0.97614(9) 0.48599(9) 0.0124(3) Uani 1 1 d . . . . .
O23 O 0.30442(11) 1.07813(11) 0.39999(10) 0.0201(4) Uani 1 1 d . . . . .
O24 O 0.37577(11) 1.20253(11) 0.50821(11) 0.0228(4) Uani 1 1 d . . . . .
O25 O 0.22852(11) 0.92355(11) 0.47003(10) 0.0198(4) Uani 1 1 d . . . . .
O26 O 0.32155(10) 1.05342(10) 0.56403(10) 0.0167(4) Uani 1 1 d . . . . .
O27 O 0.24542(11) 0.91810(11) 0.63231(10) 0.0218(4) Uani 1 1 d . . . . .
C27 C 0.27832(19) 0.7268(2) 0.72144(18) 0.0343(7) Uani 1 1 d . . . . .
H27A H 0.310106 0.781549 0.721497 0.041 Uiso 1 1 calc R U . . .
H27B H 0.242790 0.713130 0.667562 0.041 Uiso 1 1 calc R U . . .
Mo1 Mo 0.41462(2) 0.34116(2) 1.00473(2) 0.01302(5) Uani 1 1 d . . . . .
Mo2 Mo 0.48843(2) 0.51148(2) 1.10134(2) 0.01176(5) Uani 1 1 d . . . . .
Mo3 Mo 0.37662(2) 0.60171(2) 0.97105(2) 0.01360(5) Uani 1 1 d . . . . .
Mo4 Mo 0.30000(2) 0.43057(2) 0.86938(2) 0.01521(5) Uani 1 1 d . . . . .
Mo5 Mo 0.41278(2) 0.83975(2) 0.46346(2) 0.01338(5) Uani 1 1 d . . . . .
Mo6 Mo 0.30070(2) 0.93784(2) 0.55816(2) 0.01448(5) Uani 1 1 d . . . . .
Mo7 Mo 0.37770(2) 1.10441(2) 0.48650(2) 0.01432(5) Uani 1 1 d . . . . .
Mo8 Mo 0.48827(2) 1.00427(2) 0.39467(2) 0.01160(5) Uani 1 1 d . . . . .
Ag1 Ag 0.24986(2) 0.43999(2) 1.07152(2) 0.03007(6) Uani 1 1 d . . . . .
Ag2 Ag 0.25438(2) 0.94419(2) 0.33701(2) 0.02795(5) Uani 1 1 d . . . . .
P1 P 0.15739(4) 0.91489(4) 0.21544(4) 0.01832(14) Uani 1 1 d . . . . .
P2 P 0.15848(4) 0.44098(4) 1.16348(4) 0.01844(14) Uani 1 1 d . . . . .
C47A C 0.20194(17) 0.88425(16) 0.13043(16) 0.0228(6) Uiso 0.5 1 d . . P A 1
C50A C 0.2642(2) 0.8271(2) 0.0044(2) 0.0436(8) Uiso 0.5 1 d . . P A 1
H50A H 0.288283 0.809972 -0.038831 0.052 Uiso 0.5 1 calc R U P A 1
C75 C 0.2472(4) 0.8207(4) 0.1425(4) 0.0252(13) Uiso 0.5 1 d . . P A 1
H75A H 0.257420 0.799657 0.194090 0.030 Uiso 0.5 1 calc R U P A 1
C76 C 0.2765(4) 0.7892(4) 0.0798(3) 0.0232(12) Uiso 0.5 1 d . . P A 1
H76A H 0.304050 0.743799 0.085702 0.028 Uiso 0.5 1 calc R U P A 1
N5A N 0.1851(4) 0.9146(4) 0.0571(4) 0.0330(18) Uiso 0.5 1 d . . P A 1
C49A C 0.2193(5) 0.8857(5) -0.0044(5) 0.035(2) Uiso 0.5 1 d . . P A 1
H49A H 0.210237 0.908688 -0.055071 0.042 Uiso 0.5 1 calc R U P A 1
C47B C 0.20194(17) 0.88425(16) 0.13043(16) 0.0228(6) Uiso 0.5 1 d . . P A 2
C50B C 0.2642(2) 0.8271(2) 0.0044(2) 0.0436(8) Uiso 0.5 1 d . . P A 2
H50B H 0.278964 0.800042 -0.039788 0.052 Uiso 0.5 1 calc R U P A 2
C77 C 0.2764(4) 0.8541(4) 0.1446(4) 0.0365(16) Uiso 0.5 1 d . . P A 2
H77A H 0.306338 0.853094 0.197937 0.044 Uiso 0.5 1 calc R U P A 2
C78 C 0.3066(5) 0.8252(5) 0.0784(4) 0.0483(19) Uiso 0.5 1 d . . P A 2
H78A H 0.357297 0.804342 0.086784 0.058 Uiso 0.5 1 calc R U P A 2
N5B N 0.1639(4) 0.8961(4) 0.0540(4) 0.0286(16) Uiso 0.5 1 d . . P A 2
C49B C 0.1963(5) 0.8702(4) -0.0077(5) 0.0268(18) Uiso 0.5 1 d . . P A 2
H49B H 0.172976 0.880941 -0.060963 0.032 Uiso 0.5 1 calc R U P 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
C1 N4 1.365(3) . ?
C1 C2 1.367(4) . ?
C1 P2 1.829(3) . ?
C2 C3 1.393(4) . ?
C2 H2 0.9500 . ?
N2 C24 1.329(4) . ?
N2 C23 1.442(4) . ?
N2 C22 1.455(4) . ?
C3 C4 1.371(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(4) . ?
C4 H4 0.9500 . ?
N4 C5 1.363(3) . ?
C40 C39 1.516(4) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C43 1.375(4) . ?
C41 C42 1.388(4) . ?
C41 P1 1.818(3) . ?
C42 C46 1.388(4) . ?
C42 H42A 0.9500 . ?
C43 C44 1.369(4) . ?
C43 H43A 0.9500 . ?
C44 C45 1.388(4) . ?
C44 H44A 0.9500 . ?
C45 C46 1.365(4) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C53 C54 1.509(4) . ?
C53 N1 1.515(3) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.544(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.502(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.512(4) . ?
C57 N1 1.519(3) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.517(4) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.521(5) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.507(4) . ?
C61 N1 1.524(3) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.527(4) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.515(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.514(4) . ?
C65 N1 1.516(3) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.523(4) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.514(4) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C74 1.362(4) . ?
C69 C70 1.383(4) . ?
C69 P1 1.823(3) . ?
C70 C71 1.378(5) . ?
C70 H70A 0.9500 . ?
C71 C72 1.363(5) . ?
C71 H71A 0.9500 . ?
C72 C73 1.370(6) . ?
C72 H72A 0.9500 . ?
C73 C74 1.368(5) . ?
C73 H73A 0.9500 . ?
C74 H74A 0.9500 . ?
C39 C38 1.515(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C5 H5 0.9500 . ?
C6 C7 1.362(4) . ?
C6 C11 1.389(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.342(4) . ?
C7 P2 1.822(3) . ?
C8 C9 1.368(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.364(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.343(5) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C17 1.376(4) . ?
C12 C13 1.386(4) . ?
C12 P2 1.825(3) . ?
C13 C14 1.387(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.356(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.455(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 O28 1.402(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 O28 1.399(4) . ?
C20 C21 1.486(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 O14 1.227(4) . ?
C24 H24A 0.9500 . ?
C25 C26 1.518(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.511(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C28 C27 1.511(4) . ?
C28 N3 1.514(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 N3 1.512(3) . ?
C29 C30 1.522(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C31 C32 1.490(5) . ?
C31 C30 1.507(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C38 C37 1.513(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C37 N3 1.517(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C36 C35 1.521(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35 C34 1.531(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C34 C33 1.525(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C33 N3 1.522(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
O1 Mo3 1.8948(16) . ?
O1 Mo4 1.9125(17) . ?
O2 Mo4 1.6881(17) . ?
O3 Mo1 1.8948(16) . ?
O3 Mo4 1.9229(16) . ?
O4 Mo3 1.6956(17) . ?
O5 Mo3 1.7137(18) . ?
O5 Ag1 2.5645(19) . ?
O6 Mo2 1.9427(16) . ?
O6 Mo3 2.0059(15) . ?
O6 Mo1 2.2845(17) 2_667 ?
O7 Mo4 1.7241(18) . ?
O7 Ag1 2.3276(17) . ?
O8 Mo2 2.1293(15) . ?
O8 Mo1 2.3120(16) . ?
O8 Mo3 2.3184(15) . ?
O8 Mo2 2.3272(16) 2_667 ?
O8 Mo4 2.4844(15) . ?
O9 Mo1 1.6915(16) . ?
O10 Mo2 1.9593(15) . ?
O10 Mo1 2.0008(16) . ?
O10 Mo3 2.3009(16) 2_667 ?
O11 Mo1 1.7166(17) . ?
O11 Ag1 2.4207(16) . ?
O12 Mo2 1.7498(16) . ?
O12 Mo4 2.2368(17) 2_667 ?
O13 Mo2 1.6988(17) . ?
O15 Mo5 1.9016(17) . ?
O15 Mo6 1.9210(16) . ?
O16 Mo5 1.6902(17) . ?
O17 Mo8 1.9486(16) . ?
O17 Mo5 2.0051(17) . ?
O17 Mo7 2.2857(15) 2_676 ?
O18 Mo8 1.7546(17) . ?
O18 Mo6 2.2586(16) 2_676 ?
O19 Mo8 1.6954(16) . ?
O20 Mo8 1.9476(15) . ?
O20 Mo7 2.0043(16) . ?
O20 Mo5 2.3098(16) 2_676 ?
O21 Mo5 1.7155(16) . ?
O21 Ag2 2.5046(17) . ?
O22 Mo8 2.1453(16) . ?
O22 Mo5 2.3118(15) . ?
O22 Mo8 2.3146(15) 2_676 ?
O22 Mo7 2.3448(15) . ?
O22 Mo6 2.4550(17) . ?
O23 Mo7 1.7205(17) . ?
O23 Ag2 2.4212(17) . ?
O24 Mo7 1.6898(17) . ?
O25 Mo6 1.7189(16) . ?
O25 Ag2 2.3910(18) . ?
O26 Mo7 1.8949(18) . ?
O26 Mo6 1.9231(17) . ?
O27 Mo6 1.6931(18) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
Mo1 Mo2 3.2071(3) . ?
Mo2 Mo3 3.2019(3) . ?
Mo5 Mo8 3.2087(3) . ?
Ag1 P2 2.3572(7) . ?
Ag2 P1 2.3555(7) . ?
P1 C47B 1.823(3) . ?
P1 C47A 1.823(3) . ?
C47A N5A 1.358(7) . ?
C47A C75 1.401(6) . ?
C50A C49A 1.325(8) . ?
C50A C76 1.442(7) . ?
C50A H50A 0.9500 . ?
C75 C76 1.367(8) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
N5A C49A 1.378(10) . ?
C49A H49A 0.9500 . ?
C47B N5B 1.368(7) . ?
C47B C77 1.391(7) . ?
C50B C78 1.324(8) . ?
C50B C49B 1.421(8) . ?
C50B H50B 0.9500 . ?
C77 C78 1.406(10) . ?
C77 H77A 0.9500 . ?
C78 H78A 0.9500 . ?
N5B C49B 1.345(9) . ?
C49B H49B 0.9500 . ?

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
N4 C1 C2 121.7(2) . . ?
N4 C1 P2 118.6(2) . . ?
C2 C1 P2 119.6(2) . . ?
C1 C2 C3 119.6(3) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C24 N2 C23 121.2(3) . . ?
C24 N2 C22 120.6(3) . . ?
C23 N2 C22 117.7(3) . . ?
C4 C3 C2 119.0(3) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C5 C4 C3 119.2(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C5 N4 C1 117.5(3) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C43 C41 C42 120.1(2) . . ?
C43 C41 P1 121.6(2) . . ?
C42 C41 P1 118.3(2) . . ?
C46 C42 C41 119.2(3) . . ?
C46 C42 H42A 120.4 . . ?
C41 C42 H42A 120.4 . . ?
C44 C43 C41 120.1(3) . . ?
C44 C43 H43A 120.0 . . ?
C41 C43 H43A 120.0 . . ?
C43 C44 C45 120.4(3) . . ?
C43 C44 H44A 119.8 . . ?
C45 C44 H44A 119.8 . . ?
C46 C45 C44 119.6(3) . . ?
C46 C45 H45A 120.2 . . ?
C44 C45 H45A 120.2 . . ?
C45 C46 C42 120.6(3) . . ?
C45 C46 H46A 119.7 . . ?
C42 C46 H46A 119.7 . . ?
C54 C53 N1 117.8(2) . . ?
C54 C53 H53A 107.8 . . ?
N1 C53 H53A 107.8 . . ?
C54 C53 H53B 107.8 . . ?
N1 C53 H53B 107.8 . . ?
H53A C53 H53B 107.2 . . ?
C53 C54 C55 109.0(2) . . ?
C53 C54 H54A 109.9 . . ?
C55 C54 H54A 109.9 . . ?
C53 C54 H54B 109.9 . . ?
C55 C54 H54B 109.9 . . ?
H54A C54 H54B 108.3 . . ?
C56 C55 C54 113.9(3) . . ?
C56 C55 H55A 108.8 . . ?
C54 C55 H55A 108.8 . . ?
C56 C55 H55B 108.8 . . ?
C54 C55 H55B 108.8 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 N1 115.4(2) . . ?
C58 C57 H57A 108.4 . . ?
N1 C57 H57A 108.4 . . ?
C58 C57 H57B 108.4 . . ?
N1 C57 H57B 108.4 . . ?
H57A C57 H57B 107.5 . . ?
C57 C58 C59 109.8(2) . . ?
C57 C58 H58A 109.7 . . ?
C59 C58 H58A 109.7 . . ?
C57 C58 H58B 109.7 . . ?
C59 C58 H58B 109.7 . . ?
H58A C58 H58B 108.2 . . ?
C58 C59 C60 111.5(3) . . ?
C58 C59 H59A 109.3 . . ?
C60 C59 H59A 109.3 . . ?
C58 C59 H59B 109.3 . . ?
C60 C59 H59B 109.3 . . ?
H59A C59 H59B 108.0 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 N1 115.1(2) . . ?
C62 C61 H61A 108.5 . . ?
N1 C61 H61A 108.5 . . ?
C62 C61 H61B 108.5 . . ?
N1 C61 H61B 108.5 . . ?
H61A C61 H61B 107.5 . . ?
C61 C62 C63 109.9(2) . . ?
C61 C62 H62A 109.7 . . ?
C63 C62 H62A 109.7 . . ?
C61 C62 H62B 109.7 . . ?
C63 C62 H62B 109.7 . . ?
H62A C62 H62B 108.2 . . ?
C64 C63 C62 113.6(2) . . ?
C64 C63 H63A 108.8 . . ?
C62 C63 H63A 108.8 . . ?
C64 C63 H63B 108.8 . . ?
C62 C63 H63B 108.8 . . ?
H63A C63 H63B 107.7 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 N1 116.8(2) . . ?
C66 C65 H65A 108.1 . . ?
N1 C65 H65A 108.1 . . ?
C66 C65 H65B 108.1 . . ?
N1 C65 H65B 108.1 . . ?
H65A C65 H65B 107.3 . . ?
C65 C66 C67 109.1(2) . . ?
C65 C66 H66A 109.9 . . ?
C67 C66 H66A 109.9 . . ?
C65 C66 H66B 109.9 . . ?
C67 C66 H66B 109.9 . . ?
H66A C66 H66B 108.3 . . ?
C68 C67 C66 112.9(3) . . ?
C68 C67 H67A 109.0 . . ?
C66 C67 H67A 109.0 . . ?
C68 C67 H67B 109.0 . . ?
C66 C67 H67B 109.0 . . ?
H67A C67 H67B 107.8 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C74 C69 C70 119.6(3) . . ?
C74 C69 P1 122.3(3) . . ?
C70 C69 P1 118.1(2) . . ?
C71 C70 C69 120.3(3) . . ?
C71 C70 H70A 119.9 . . ?
C69 C70 H70A 119.9 . . ?
C72 C71 C70 119.7(4) . . ?
C72 C71 H71A 120.1 . . ?
C70 C71 H71A 120.1 . . ?
C71 C72 C73 119.5(4) . . ?
C71 C72 H72A 120.3 . . ?
C73 C72 H72A 120.3 . . ?
C74 C73 C72 121.3(4) . . ?
C74 C73 H73A 119.4 . . ?
C72 C73 H73A 119.4 . . ?
C69 C74 C73 119.6(4) . . ?
C69 C74 H74A 120.2 . . ?
C73 C74 H74A 120.2 . . ?
C38 C39 C40 112.4(3) . . ?
C38 C39 H39A 109.1 . . ?
C40 C39 H39A 109.1 . . ?
C38 C39 H39B 109.1 . . ?
C40 C39 H39B 109.1 . . ?
H39A C39 H39B 107.9 . . ?
N4 C5 C4 122.8(3) . . ?
N4 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C7 C6 C11 120.9(3) . . ?
C7 C6 H6 119.6 . . ?
C11 C6 H6 119.6 . . ?
C8 C7 C6 118.8(3) . . ?
C8 C7 P2 116.5(2) . . ?
C6 C7 P2 124.6(2) . . ?
C7 C8 C9 120.3(3) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 121.6(3) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C11 C10 C9 118.4(3) . . ?
C11 C10 H10 120.8 . . ?
C9 C10 H10 120.8 . . ?
C10 C11 C6 120.1(3) . . ?
C10 C11 H11 120.0 . . ?
C6 C11 H11 120.0 . . ?
C17 C12 C13 119.3(3) . . ?
C17 C12 P2 123.0(2) . . ?
C13 C12 P2 117.6(2) . . ?
C12 C13 C14 120.2(3) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.1(3) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C17 120.2(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 119.9(3) . . ?
C12 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O28 C19 C18 113.5(4) . . ?
O28 C19 H19A 108.9 . . ?
C18 C19 H19A 108.9 . . ?
O28 C19 H19B 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
O28 C20 C21 111.2(3) . . ?
O28 C20 H20A 109.4 . . ?
C21 C20 H20A 109.4 . . ?
O28 C20 H20B 109.4 . . ?
C21 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O14 C24 N2 125.6(3) . . ?
O14 C24 H24A 117.2 . . ?
N2 C24 H24A 117.2 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C25 113.0(3) . . ?
C27 C26 H26A 109.0 . . ?
C25 C26 H26A 109.0 . . ?
C27 C26 H26B 109.0 . . ?
C25 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C27 C28 N3 116.6(2) . . ?
C27 C28 H28A 108.1 . . ?
N3 C28 H28A 108.1 . . ?
C27 C28 H28B 108.1 . . ?
N3 C28 H28B 108.1 . . ?
H28A C28 H28B 107.3 . . ?
C20 O28 C19 116.2(3) . . ?
N3 C29 C30 115.3(2) . . ?
N3 C29 H29A 108.4 . . ?
C30 C29 H29A 108.4 . . ?
N3 C29 H29B 108.4 . . ?
C30 C29 H29B 108.4 . . ?
H29A C29 H29B 107.5 . . ?
C32 C31 C30 113.1(3) . . ?
C32 C31 H31A 109.0 . . ?
C30 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C30 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
C31 C30 C29 111.5(3) . . ?
C31 C30 H30A 109.3 . . ?
C29 C30 H30A 109.3 . . ?
C31 C30 H30B 109.3 . . ?
C29 C30 H30B 109.3 . . ?
H30A C30 H30B 108.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C37 C38 C39 111.3(2) . . ?
C37 C38 H38A 109.4 . . ?
C39 C38 H38A 109.4 . . ?
C37 C38 H38B 109.4 . . ?
C39 C38 H38B 109.4 . . ?
H38A C38 H38B 108.0 . . ?
C38 C37 N3 114.8(2) . . ?
C38 C37 H37A 108.6 . . ?
N3 C37 H37A 108.6 . . ?
C38 C37 H37B 108.6 . . ?
N3 C37 H37B 108.6 . . ?
H37A C37 H37B 107.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C36 C35 C34 112.3(2) . . ?
C36 C35 H35A 109.2 . . ?
C34 C35 H35A 109.2 . . ?
C36 C35 H35B 109.2 . . ?
C34 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C33 C34 C35 110.3(2) . . ?
C33 C34 H34A 109.6 . . ?
C35 C34 H34A 109.6 . . ?
C33 C34 H34B 109.6 . . ?
C35 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
N3 C33 C34 115.1(2) . . ?
N3 C33 H33A 108.5 . . ?
C34 C33 H33A 108.5 . . ?
N3 C33 H33B 108.5 . . ?
C34 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C53 N1 C65 111.65(19) . . ?
C53 N1 C57 112.0(2) . . ?
C65 N1 C57 106.29(19) . . ?
C53 N1 C61 105.65(18) . . ?
C65 N1 C61 111.3(2) . . ?
C57 N1 C61 110.0(2) . . ?
C29 N3 C28 107.3(2) . . ?
C29 N3 C37 110.30(19) . . ?
C28 N3 C37 110.6(2) . . ?
C29 N3 C33 110.1(2) . . ?
C28 N3 C33 111.2(2) . . ?
C37 N3 C33 107.5(2) . . ?
Mo3 O1 Mo4 117.88(8) . . ?
Mo1 O3 Mo4 117.87(8) . . ?
Mo3 O5 Ag1 125.10(8) . . ?
Mo2 O6 Mo3 108.36(8) . . ?
Mo2 O6 Mo1 110.39(7) . 2_667 ?
Mo3 O6 Mo1 104.14(7) . 2_667 ?
Mo4 O7 Ag1 128.75(9) . . ?
Mo2 O8 Mo1 92.36(6) . . ?
Mo2 O8 Mo3 91.99(5) . . ?
Mo1 O8 Mo3 162.77(8) . . ?
Mo2 O8 Mo2 104.68(7) . 2_667 ?
Mo1 O8 Mo2 97.07(5) . 2_667 ?
Mo3 O8 Mo2 97.93(6) . 2_667 ?
Mo2 O8 Mo4 164.47(8) . . ?
Mo1 O8 Mo4 85.89(5) . . ?
Mo3 O8 Mo4 85.47(5) . . ?
Mo2 O8 Mo4 90.85(5) 2_667 . ?
Mo2 O10 Mo1 108.16(7) . . ?
Mo2 O10 Mo3 110.43(8) . 2_667 ?
Mo1 O10 Mo3 103.73(6) . 2_667 ?
Mo1 O11 Ag1 127.66(9) . . ?
Mo2 O12 Mo4 118.17(8) . 2_667 ?
Mo5 O15 Mo6 116.62(9) . . ?
Mo8 O17 Mo5 108.49(7) . . ?
Mo8 O17 Mo7 111.28(7) . 2_676 ?
Mo5 O17 Mo7 104.39(7) . 2_676 ?
Mo8 O18 Mo6 116.30(8) . 2_676 ?
Mo8 O20 Mo7 109.47(8) . . ?
Mo8 O20 Mo5 109.79(7) . 2_676 ?
Mo7 O20 Mo5 103.56(6) . 2_676 ?
Mo5 O21 Ag2 125.88(8) . . ?
Mo8 O22 Mo5 92.02(5) . . ?
Mo8 O22 Mo8 104.31(7) . 2_676 ?
Mo5 O22 Mo8 97.91(6) . 2_676 ?
Mo8 O22 Mo7 91.78(6) . . ?
Mo5 O22 Mo7 162.79(8) . . ?
Mo8 O22 Mo7 97.40(5) 2_676 . ?
Mo8 O22 Mo6 164.13(7) . . ?
Mo5 O22 Mo6 86.00(6) . . ?
Mo8 O22 Mo6 91.55(5) 2_676 . ?
Mo7 O22 Mo6 85.77(5) . . ?
Mo7 O23 Ag2 126.90(9) . . ?
Mo6 O25 Ag2 126.91(9) . . ?
Mo7 O26 Mo6 117.69(8) . . ?
C26 C27 C28 110.4(3) . . ?
C26 C27 H27A 109.6 . . ?
C28 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
C28 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
O9 Mo1 O11 105.41(9) . . ?
O9 Mo1 O3 101.21(7) . . ?
O11 Mo1 O3 101.14(8) . . ?
O9 Mo1 O10 100.98(7) . . ?
O11 Mo1 O10 95.95(7) . . ?
O3 Mo1 O10 147.15(7) . . ?
O9 Mo1 O6 91.16(7) . 2_667 ?
O11 Mo1 O6 161.34(7) . 2_667 ?
O3 Mo1 O6 83.56(7) . 2_667 ?
O10 Mo1 O6 72.07(6) . 2_667 ?
O9 Mo1 O8 163.08(8) . . ?
O11 Mo1 O8 91.24(7) . . ?
O3 Mo1 O8 77.97(6) . . ?
O10 Mo1 O8 73.78(6) . . ?
O6 Mo1 O8 71.93(6) 2_667 . ?
O9 Mo1 Mo2 136.33(6) . . ?
O11 Mo1 Mo2 82.79(6) . . ?
O3 Mo1 Mo2 119.52(5) . . ?
O10 Mo1 Mo2 35.49(4) . . ?
O6 Mo1 Mo2 79.25(4) 2_667 . ?
O8 Mo1 Mo2 41.56(4) . . ?
O13 Mo2 O12 105.75(8) . . ?
O13 Mo2 O6 101.76(7) . . ?
O12 Mo2 O6 96.63(7) . . ?
O13 Mo2 O10 100.62(8) . . ?
O12 Mo2 O10 95.81(7) . . ?
O6 Mo2 O10 150.30(7) . . ?
O13 Mo2 O8 97.40(7) . . ?
O12 Mo2 O8 156.83(7) . . ?
O6 Mo2 O8 79.10(6) . . ?
O10 Mo2 O8 78.88(6) . . ?
O13 Mo2 O8 172.68(7) . 2_667 ?
O12 Mo2 O8 81.52(7) . 2_667 ?
O6 Mo2 O8 77.86(6) . 2_667 ?
O10 Mo2 O8 77.46(6) . 2_667 ?
O8 Mo2 O8 75.32(7) . 2_667 ?
O13 Mo2 Mo3 89.40(6) . . ?
O12 Mo2 Mo3 133.11(6) . . ?
O6 Mo2 Mo3 36.48(5) . . ?
O10 Mo2 Mo3 125.22(5) . . ?
O8 Mo2 Mo3 46.35(4) . . ?
O8 Mo2 Mo3 86.07(4) 2_667 . ?
O13 Mo2 Mo1 88.92(6) . . ?
O12 Mo2 Mo1 132.16(5) . . ?
O6 Mo2 Mo1 125.15(4) . . ?
O10 Mo2 Mo1 36.35(5) . . ?
O8 Mo2 Mo1 46.08(4) . . ?
O8 Mo2 Mo1 85.44(4) 2_667 . ?
Mo3 Mo2 Mo1 91.178(7) . . ?
O4 Mo3 O5 105.82(8) . . ?
O4 Mo3 O1 101.70(8) . . ?
O5 Mo3 O1 101.41(8) . . ?
O4 Mo3 O6 100.22(7) . . ?
O5 Mo3 O6 96.37(7) . . ?
O1 Mo3 O6 146.67(6) . . ?
O4 Mo3 O10 90.46(7) . 2_667 ?
O5 Mo3 O10 161.49(7) . 2_667 ?
O1 Mo3 O10 83.38(6) . 2_667 ?
O6 Mo3 O10 71.62(6) . 2_667 ?
O4 Mo3 O8 161.87(8) . . ?
O5 Mo3 O8 91.89(7) . . ?
O1 Mo3 O8 78.00(6) . . ?
O6 Mo3 O8 73.41(6) . . ?
O10 Mo3 O8 71.45(6) 2_667 . ?
O4 Mo3 Mo2 135.27(6) . . ?
O5 Mo3 Mo2 83.25(6) . . ?
O1 Mo3 Mo2 119.65(5) . . ?
O6 Mo3 Mo2 35.16(5) . . ?
O10 Mo3 Mo2 78.91(4) 2_667 . ?
O8 Mo3 Mo2 41.65(4) . . ?
O2 Mo4 O7 105.24(9) . . ?
O2 Mo4 O1 103.35(8) . . ?
O7 Mo4 O1 97.84(8) . . ?
O2 Mo4 O3 104.37(7) . . ?
O7 Mo4 O3 96.47(8) . . ?
O1 Mo4 O3 144.06(7) . . ?
O2 Mo4 O12 93.48(8) . 2_667 ?
O7 Mo4 O12 161.26(7) . 2_667 ?
O1 Mo4 O12 78.25(7) . 2_667 ?
O3 Mo4 O12 77.67(7) . 2_667 ?
O2 Mo4 O8 162.94(8) . . ?
O7 Mo4 O8 91.82(7) . . ?
O1 Mo4 O8 73.55(6) . . ?
O3 Mo4 O8 73.21(6) . . ?
O12 Mo4 O8 69.46(5) 2_667 . ?
O16 Mo5 O21 105.59(8) . . ?
O16 Mo5 O15 102.12(8) . . ?
O21 Mo5 O15 101.16(8) . . ?
O16 Mo5 O17 99.85(8) . . ?
O21 Mo5 O17 96.74(8) . . ?
O15 Mo5 O17 146.60(7) . . ?
O16 Mo5 O20 91.00(7) . 2_676 ?
O21 Mo5 O20 161.18(7) . 2_676 ?
O15 Mo5 O20 83.54(6) . 2_676 ?
O17 Mo5 O20 71.20(6) . 2_676 ?
O16 Mo5 O22 162.43(7) . . ?
O21 Mo5 O22 91.51(7) . . ?
O15 Mo5 O22 77.93(6) . . ?
O17 Mo5 O22 73.61(6) . . ?
O20 Mo5 O22 71.49(5) 2_676 . ?
O16 Mo5 Mo8 134.85(6) . . ?
O21 Mo5 Mo8 83.14(6) . . ?
O15 Mo5 Mo8 119.85(5) . . ?
O17 Mo5 Mo8 35.16(4) . . ?
O20 Mo5 Mo8 78.78(4) 2_676 . ?
O22 Mo5 Mo8 41.93(4) . . ?
O27 Mo6 O25 105.38(9) . . ?
O27 Mo6 O15 103.90(8) . . ?
O25 Mo6 O15 97.69(7) . . ?
O27 Mo6 O26 102.30(8) . . ?
O25 Mo6 O26 97.63(8) . . ?
O15 Mo6 O26 144.77(7) . . ?
O27 Mo6 O18 92.61(7) . 2_676 ?
O25 Mo6 O18 162.00(8) . 2_676 ?
O15 Mo6 O18 77.89(6) . 2_676 ?
O26 Mo6 O18 77.78(6) . 2_676 ?
O27 Mo6 O22 162.56(7) . . ?
O25 Mo6 O22 92.03(7) . . ?
O15 Mo6 O22 74.03(6) . . ?
O26 Mo6 O22 73.90(6) . . ?
O18 Mo6 O22 69.97(6) 2_676 . ?
O24 Mo7 O23 105.15(8) . . ?
O24 Mo7 O26 102.19(8) . . ?
O23 Mo7 O26 100.89(8) . . ?
O24 Mo7 O20 101.43(8) . . ?
O23 Mo7 O20 96.23(7) . . ?
O26 Mo7 O20 145.91(7) . . ?
O24 Mo7 O17 92.20(7) . 2_676 ?
O23 Mo7 O17 160.75(7) . 2_676 ?
O26 Mo7 O17 83.12(7) . 2_676 ?
O20 Mo7 O17 71.74(6) . 2_676 ?
O24 Mo7 O22 163.12(7) . . ?
O23 Mo7 O22 91.45(7) . . ?
O26 Mo7 O22 77.11(6) . . ?
O20 Mo7 O22 73.18(6) . . ?
O17 Mo7 O22 70.93(5) 2_676 . ?
O19 Mo8 O18 105.56(8) . . ?
O19 Mo8 O20 101.52(7) . . ?
O18 Mo8 O20 96.69(7) . . ?
O19 Mo8 O17 100.24(7) . . ?
O18 Mo8 O17 96.74(7) . . ?
O20 Mo8 O17 150.26(7) . . ?
O19 Mo8 O22 96.57(7) . . ?
O18 Mo8 O22 157.86(7) . . ?
O20 Mo8 O22 78.97(6) . . ?
O17 Mo8 O22 78.62(6) . . ?
O19 Mo8 O22 172.21(7) . 2_676 ?
O18 Mo8 O22 82.17(7) . 2_676 ?
O20 Mo8 O22 78.09(6) . 2_676 ?
O17 Mo8 O22 77.62(6) . 2_676 ?
O22 Mo8 O22 75.69(7) . 2_676 ?
O19 Mo8 Mo5 87.74(6) . . ?
O18 Mo8 Mo5 133.08(5) . . ?
O20 Mo8 Mo5 125.02(5) . . ?
O17 Mo8 Mo5 36.34(5) . . ?
O22 Mo8 Mo5 46.06(4) . . ?
O22 Mo8 Mo5 86.21(4) 2_676 . ?
O7 Ag1 P2 132.80(5) . . ?
O7 Ag1 O11 81.25(6) . . ?
P2 Ag1 O11 124.85(5) . . ?
O7 Ag1 O5 79.26(6) . . ?
P2 Ag1 O5 113.23(4) . . ?
O11 Ag1 O5 115.31(6) . . ?
P1 Ag2 O25 126.87(5) . . ?
P1 Ag2 O23 124.33(4) . . ?
O25 Ag2 O23 79.76(6) . . ?
P1 Ag2 O21 115.23(4) . . ?
O25 Ag2 O21 78.01(6) . . ?
O23 Ag2 O21 118.08(5) . . ?
C41 P1 C47B 104.57(12) . . ?
C41 P1 C47A 104.57(12) . . ?
C41 P1 C69 105.36(12) . . ?
C47B P1 C69 103.72(13) . . ?
C47A P1 C69 103.72(13) . . ?
C41 P1 Ag2 114.66(8) . . ?
C47B P1 Ag2 114.02(9) . . ?
C47A P1 Ag2 114.02(9) . . ?
C69 P1 Ag2 113.41(9) . . ?
C7 P2 C12 105.40(13) . . ?
C7 P2 C1 106.11(12) . . ?
C12 P2 C1 103.44(12) . . ?
C7 P2 Ag1 113.74(9) . . ?
C12 P2 Ag1 113.58(9) . . ?
C1 P2 Ag1 113.62(9) . . ?
N5A C47A C75 121.4(4) . . ?
N5A C47A P1 122.4(3) . . ?
C75 C47A P1 115.8(3) . . ?
C49A C50A C76 119.9(5) . . ?
C49A C50A H50A 120.1 . . ?
C76 C50A H50A 120.1 . . ?
C76 C75 C47A 119.7(5) . . ?
C76 C75 H75A 120.2 . . ?
C47A C75 H75A 120.2 . . ?
C75 C76 C50A 117.8(5) . . ?
C75 C76 H76A 121.1 . . ?
C50A C76 H76A 121.1 . . ?
C47A N5A C49A 118.3(6) . . ?
C50A C49A N5A 122.5(7) . . ?
C50A C49A H49A 118.7 . . ?
N5A C49A H49A 118.7 . . ?
N5B C47B C77 121.3(4) . . ?
N5B C47B P1 119.0(3) . . ?
C77 C47B P1 119.5(3) . . ?
C78 C50B C49B 118.8(5) . . ?
C78 C50B H50B 120.6 . . ?
C49B C50B H50B 120.6 . . ?
C47B C77 C78 118.7(6) . . ?
C47B C77 H77A 120.7 . . ?
C78 C77 H77A 120.7 . . ?
C50B C78 C77 120.0(7) . . ?
C50B C78 H78A 120.0 . . ?
C77 C78 H78A 120.0 . . ?
C49B N5B C47B 117.7(6) . . ?
N5B C49B C50B 122.0(6) . . ?
N5B C49B H49B 119.0 . . ?
C50B C49B H49B 119.0 . . ?

_refine_diff_density_max         0.813
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.094

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2



####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1959368'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H94 Ag2 Br2 Mo8 N6 O28'
_chemical_formula_weight         2346.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   13.8102(16)
_cell_length_b                   19.3590(7)
_cell_length_c                   15.2005(11)
_cell_angle_alpha                90
_cell_angle_beta                 116.826(12)
_cell_angle_gamma                90
_cell_volume                     3626.5(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    6094
_cell_measurement_theta_min      2.6480
_cell_measurement_theta_max      29.1750

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.149
_exptl_crystal_F_000             2296
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.042
_shelx_estimated_absorpt_T_min   0.376
_shelx_estimated_absorpt_T_max   0.793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.80573
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            21463
_diffrn_reflns_av_unetI/netI     0.0854
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.833
_diffrn_reflns_theta_max         29.601
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             8647
_reflns_number_gt                6075
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0213P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8647
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.0824
_refine_ls_wR_factor_gt          0.0713
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.5462(4) 0.7796(3) 0.3579(4) 0.0171(12) Uani 1 1 d . . . . .
H1A H 0.523664 0.731120 0.358705 0.021 Uiso 1 1 calc R U . . .
H1B H 0.548203 0.802919 0.416632 0.021 Uiso 1 1 calc R U . . .
Br1 Br 1.04000(4) 0.32783(3) 1.17506(4) 0.03281(16) Uani 1 1 d . . . . .
C2 C 0.4615(4) 0.8147(3) 0.2663(4) 0.0224(13) Uani 1 1 d . . . . .
H2A H 0.452709 0.788408 0.207289 0.027 Uiso 1 1 calc R U . . .
H2B H 0.486598 0.861752 0.261443 0.027 Uiso 1 1 calc R U . . .
C3 C 0.3526(4) 0.8192(3) 0.2685(4) 0.0210(13) Uani 1 1 d . . . . .
H3A H 0.296650 0.833666 0.202592 0.025 Uiso 1 1 calc R U . . .
H3B H 0.332617 0.772695 0.281986 0.025 Uiso 1 1 calc R U . . .
C4 C 0.3517(5) 0.8692(3) 0.3449(5) 0.0456(18) Uani 1 1 d . . . . .
H4A H 0.279447 0.869574 0.342297 0.068 Uiso 1 1 calc R U . . .
H4B H 0.405495 0.854665 0.410706 0.068 Uiso 1 1 calc R U . . .
H4C H 0.369488 0.915705 0.331223 0.068 Uiso 1 1 calc R U . . .
C5 C 0.6607(4) 0.7437(3) 0.2775(3) 0.0177(12) Uani 1 1 d . . . . .
H5A H 0.617336 0.771539 0.217924 0.021 Uiso 1 1 calc R U . . .
H5B H 0.736355 0.743019 0.286573 0.021 Uiso 1 1 calc R U . . .
C6 C 0.6179(4) 0.6709(3) 0.2591(4) 0.0223(13) Uani 1 1 d . . . . .
H6A H 0.541866 0.670801 0.248941 0.027 Uiso 1 1 calc R U . . .
H6B H 0.661368 0.642166 0.317673 0.027 Uiso 1 1 calc R U . . .
C7 C 0.6228(4) 0.6401(3) 0.1693(4) 0.0250(13) Uani 1 1 d . . . . .
H7A H 0.583151 0.670643 0.111834 0.030 Uiso 1 1 calc R U . . .
H7B H 0.699372 0.637979 0.181300 0.030 Uiso 1 1 calc R U . . .
C8 C 0.5746(5) 0.5691(3) 0.1457(5) 0.0443(18) Uani 1 1 d . . . . .
H8A H 0.579536 0.551392 0.087470 0.067 Uiso 1 1 calc R U . . .
H8B H 0.614533 0.538436 0.201854 0.067 Uiso 1 1 calc R U . . .
H8C H 0.498318 0.571098 0.132390 0.067 Uiso 1 1 calc R U . . .
C9 C 0.7321(4) 0.7426(3) 0.4606(3) 0.0169(12) Uani 1 1 d . . . . .
H9A H 0.710974 0.693311 0.453369 0.020 Uiso 1 1 calc R U . . .
H9B H 0.718585 0.761965 0.514367 0.020 Uiso 1 1 calc R U . . .
C10 C 0.8535(4) 0.7471(3) 0.4912(4) 0.0243(13) Uani 1 1 d . . . . .
H10A H 0.866661 0.737195 0.433649 0.029 Uiso 1 1 calc R U . . .
H10B H 0.879489 0.794541 0.514234 0.029 Uiso 1 1 calc R U . . .
C11 C 0.9155(4) 0.6964(3) 0.5724(4) 0.0290(15) Uani 1 1 d . . . . .
H11A H 0.892983 0.648940 0.547196 0.035 Uiso 1 1 calc R U . . .
H11B H 0.896656 0.703913 0.627221 0.035 Uiso 1 1 calc R U . . .
C12 C 1.0377(4) 0.7027(3) 0.6115(4) 0.0341(16) Uani 1 1 d . . . . .
H12A H 1.073890 0.668676 0.663924 0.051 Uiso 1 1 calc R U . . .
H12B H 1.057093 0.694317 0.557879 0.051 Uiso 1 1 calc R U . . .
H12C H 1.060767 0.749311 0.637934 0.051 Uiso 1 1 calc R U . . .
C13 C 0.6984(4) 0.8528(2) 0.3661(3) 0.0143(11) Uani 1 1 d . . . . .
H13A H 0.653077 0.873960 0.300944 0.017 Uiso 1 1 calc R U . . .
H13B H 0.773954 0.851100 0.374933 0.017 Uiso 1 1 calc R U . . .
C14 C 0.6951(4) 0.8987(3) 0.4452(4) 0.0218(13) Uani 1 1 d . . . . .
H14A H 0.730567 0.874760 0.509664 0.026 Uiso 1 1 calc R U . . .
H14B H 0.618616 0.907658 0.430314 0.026 Uiso 1 1 calc R U . . .
C15 C 0.7525(4) 0.9670(3) 0.4514(4) 0.0249(13) Uani 1 1 d . . . . .
H15A H 0.830453 0.958376 0.472212 0.030 Uiso 1 1 calc R U . . .
H15B H 0.721181 0.989053 0.385617 0.030 Uiso 1 1 calc R U . . .
C16 C 0.7401(4) 1.0148(3) 0.5246(4) 0.0305(15) Uani 1 1 d . . . . .
H16A H 0.777392 1.058515 0.527818 0.046 Uiso 1 1 calc R U . . .
H16B H 0.662900 1.023766 0.503443 0.046 Uiso 1 1 calc R U . . .
H16C H 0.771987 0.993141 0.589891 0.046 Uiso 1 1 calc R U . . .
C17 C 0.7315(4) 0.3298(3) 0.8844(4) 0.0258(14) Uani 1 1 d . . . . .
H17A H 0.666142 0.332798 0.824731 0.031 Uiso 1 1 calc R U . . .
C18 C 0.7298(4) 0.2921(3) 0.9599(4) 0.0301(15) Uani 1 1 d . . . . .
H18A H 0.665732 0.268806 0.951766 0.036 Uiso 1 1 calc R U . . .
C19 C 0.8225(4) 0.2888(3) 1.0475(4) 0.0284(14) Uani 1 1 d . . . . .
H19A H 0.824882 0.262354 1.101135 0.034 Uiso 1 1 calc R U . . .
C20 C 0.9079(4) 0.3606(3) 0.9753(4) 0.0216(13) Uani 1 1 d . . . . .
H20A H 0.970564 0.384642 0.981362 0.026 Uiso 1 1 calc R U . . .
C21 C 1.0560(4) 0.3916(3) 0.7786(5) 0.0361(17) Uani 1 1 d . . . . .
H21A H 1.069591 0.344652 0.769747 0.043 Uiso 1 1 calc R U . . .
C22 C 1.0938(5) 0.4151(4) 0.6426(5) 0.049(2) Uani 1 1 d . . . . .
H22A H 1.102239 0.455616 0.608014 0.074 Uiso 1 1 calc R U . . .
H22B H 1.161064 0.388071 0.669677 0.074 Uiso 1 1 calc R U . . .
H22C H 1.033905 0.386495 0.596291 0.074 Uiso 1 1 calc R U . . .
C23 C 1.0441(5) 0.5091(3) 0.7260(5) 0.049(2) Uani 1 1 d . . . . .
H23A H 1.059975 0.535661 0.679201 0.074 Uiso 1 1 calc R U . . .
H23B H 0.966811 0.513324 0.708602 0.074 Uiso 1 1 calc R U . . .
H23C H 1.087523 0.526978 0.792785 0.074 Uiso 1 1 calc R U . . .
C24 C 0.9121(4) 0.3249(3) 1.0557(4) 0.0215(13) Uani 1 1 d . . . . .
N1 N 0.8173(3) 0.3623(2) 0.8887(3) 0.0198(10) Uani 1 1 d . . . . .
N3 N 0.6595(3) 0.7797(2) 0.3657(3) 0.0148(9) Uani 1 1 d . . . . .
N4 N 1.0704(3) 0.4374(3) 0.7223(4) 0.0293(12) Uani 1 1 d . . . . .
O1 O 0.8303(3) 0.44290(18) 0.4399(2) 0.0218(9) Uani 1 1 d . . . . .
O2 O 0.7641(2) 0.54584(17) 0.5353(2) 0.0158(8) Uani 1 1 d . . . . .
O3 O 0.7292(2) 0.65897(17) 0.6342(2) 0.0176(8) Uani 1 1 d . . . . .
O4 O 0.7728(2) 0.53441(17) 0.7220(2) 0.0167(8) Uani 1 1 d . . . . .
O5 O 0.6559(2) 0.37308(16) 0.4528(2) 0.0156(8) Uani 1 1 d . . . . .
O6 O 0.8323(2) 0.41728(17) 0.6153(2) 0.0195(9) Uani 1 1 d . . . . .
O7 O 0.6025(2) 0.47385(15) 0.5431(2) 0.0119(7) Uani 1 1 d . . . . .
O8 O 0.5579(2) 0.57692(16) 0.6263(2) 0.0119(7) Uani 1 1 d . . . . .
O9 O 0.3866(2) 0.50448(16) 0.6285(2) 0.0149(8) Uani 1 1 d . . . . .
O10 O 0.4456(2) 0.39863(16) 0.5398(2) 0.0124(7) Uani 1 1 d . . . . .
O11 O 0.5900(2) 0.44972(17) 0.7257(2) 0.0155(8) Uani 1 1 d . . . . .
O12 O 0.4989(2) 0.28474(16) 0.4540(2) 0.0174(8) Uani 1 1 d . . . . .
O13 O 0.6485(2) 0.33597(17) 0.6265(2) 0.0189(8) Uani 1 1 d . . . . .
O14 O 1.0262(3) 0.4042(2) 0.8424(3) 0.0457(12) Uani 1 1 d . . . . .
Mo1 Mo 0.69478(3) 0.57417(2) 0.61222(3) 0.01295(11) Uani 1 1 d . . . . .
Mo2 Mo 0.75330(3) 0.44974(2) 0.49945(3) 0.01489(11) Uani 1 1 d . . . . .
Mo3 Mo 0.56079(3) 0.35935(2) 0.50957(3) 0.01317(11) Uani 1 1 d . . . . .
Mo4 Mo 0.50293(3) 0.48326(2) 0.61625(3) 0.01158(10) Uani 1 1 d . . . . .
Ag1 Ag 0.81247(3) 0.41432(2) 0.75792(3) 0.02761(12) Uani 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
C1 C2 1.515(6) . ?
C1 N3 1.515(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
Br1 C24 1.877(5) . ?
C2 C3 1.522(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.517(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.504(7) . ?
C5 N3 1.518(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.519(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.498(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N3 1.515(6) . ?
C9 C10 1.527(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.505(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.520(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N3 1.512(6) . ?
C13 C14 1.513(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.523(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.516(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 N1 1.316(6) . ?
C17 C18 1.369(8) . ?
C17 H17A 0.9500 . ?
C18 C19 1.370(7) . ?
C18 H18A 0.9500 . ?
C19 C24 1.377(7) . ?
C19 H19A 0.9500 . ?
C20 N1 1.346(6) . ?
C20 C24 1.382(7) . ?
C20 H20A 0.9500 . ?
C21 O14 1.236(8) . ?
C21 N4 1.309(8) . ?
C21 H21A 0.9500 . ?
C22 N4 1.454(8) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 N4 1.442(7) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
N1 Ag1 2.203(4) . ?
O1 Mo2 1.684(4) . ?
O2 Mo1 1.896(3) . ?
O2 Mo2 1.925(3) . ?
O3 Mo1 1.700(3) . ?
O4 Mo1 1.707(3) . ?
O4 Ag1 2.394(3) . ?
O5 Mo3 1.888(3) . ?
O5 Mo2 1.911(3) . ?
O6 Mo2 1.718(3) . ?
O6 Ag1 2.305(4) . ?
O7 Mo4 2.131(3) . ?
O7 Mo3 2.289(3) . ?
O7 Mo1 2.300(3) . ?
O7 Mo4 2.344(3) 3_666 ?
O7 Mo2 2.498(3) . ?
O8 Mo4 1.945(3) . ?
O8 Mo1 1.997(3) . ?
O8 Mo3 2.327(3) 3_666 ?
O9 Mo4 1.748(3) . ?
O9 Mo2 2.216(3) 3_666 ?
O10 Mo4 1.957(3) . ?
O10 Mo3 1.996(3) . ?
O10 Mo1 2.309(3) 3_666 ?
O11 Mo4 1.682(3) . ?
O12 Mo3 1.697(3) . ?
O13 Mo3 1.699(3) . ?
Mo1 Mo4 3.2041(7) . ?
Mo3 Mo4 3.1925(6) . ?

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
C2 C1 N3 114.4(4) . . ?
C2 C1 H1A 108.7 . . ?
N3 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
N3 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 C3 111.5(4) . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C2 113.8(4) . . ?
C4 C3 H3A 108.8 . . ?
C2 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
C2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 N3 115.7(4) . . ?
C6 C5 H5A 108.3 . . ?
N3 C5 H5A 108.3 . . ?
C6 C5 H5B 108.3 . . ?
N3 C5 H5B 108.3 . . ?
H5A C5 H5B 107.4 . . ?
C5 C6 C7 111.2(5) . . ?
C5 C6 H6A 109.4 . . ?
C7 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
C7 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C8 C7 C6 112.4(5) . . ?
C8 C7 H7A 109.1 . . ?
C6 C7 H7A 109.1 . . ?
C8 C7 H7B 109.1 . . ?
C6 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 C10 115.3(4) . . ?
N3 C9 H9A 108.5 . . ?
C10 C9 H9A 108.5 . . ?
N3 C9 H9B 108.5 . . ?
C10 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C11 C10 C9 110.7(4) . . ?
C11 C10 H10A 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C10 C11 C12 112.9(5) . . ?
C10 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C14 114.4(4) . . ?
N3 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
N3 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 C15 110.9(5) . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C16 C15 C14 110.4(5) . . ?
C16 C15 H15A 109.6 . . ?
C14 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
C14 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 C18 124.7(5) . . ?
N1 C17 H17A 117.7 . . ?
C18 C17 H17A 117.7 . . ?
C17 C18 C19 118.5(5) . . ?
C17 C18 H18A 120.7 . . ?
C19 C18 H18A 120.7 . . ?
C18 C19 C24 118.1(5) . . ?
C18 C19 H19A 121.0 . . ?
C24 C19 H19A 121.0 . . ?
N1 C20 C24 121.7(5) . . ?
N1 C20 H20A 119.1 . . ?
C24 C20 H20A 119.1 . . ?
O14 C21 N4 125.6(7) . . ?
O14 C21 H21A 117.2 . . ?
N4 C21 H21A 117.2 . . ?
N4 C22 H22A 109.5 . . ?
N4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 C20 119.8(5) . . ?
C19 C24 Br1 121.2(4) . . ?
C20 C24 Br1 119.0(4) . . ?
C17 N1 C20 117.1(5) . . ?
C17 N1 Ag1 120.9(3) . . ?
C20 N1 Ag1 122.0(4) . . ?
C13 N3 C9 111.0(3) . . ?
C13 N3 C1 110.8(4) . . ?
C9 N3 C1 106.9(4) . . ?
C13 N3 C5 106.7(4) . . ?
C9 N3 C5 110.9(4) . . ?
C1 N3 C5 110.6(3) . . ?
C21 N4 C23 120.7(6) . . ?
C21 N4 C22 120.0(6) . . ?
C23 N4 C22 118.3(5) . . ?
Mo1 O2 Mo2 117.24(17) . . ?
Mo1 O4 Ag1 129.74(16) . . ?
Mo3 O5 Mo2 117.28(17) . . ?
Mo2 O6 Ag1 133.10(18) . . ?
Mo4 O7 Mo3 92.42(12) . . ?
Mo4 O7 Mo1 92.54(12) . . ?
Mo3 O7 Mo1 162.03(14) . . ?
Mo4 O7 Mo4 105.22(12) . 3_666 ?
Mo3 O7 Mo4 97.83(11) . 3_666 ?
Mo1 O7 Mo4 97.51(11) . 3_666 ?
Mo4 O7 Mo2 165.05(14) . . ?
Mo3 O7 Mo2 85.19(10) . . ?
Mo1 O7 Mo2 85.57(10) . . ?
Mo4 O7 Mo2 89.72(11) 3_666 . ?
Mo4 O8 Mo1 108.76(15) . . ?
Mo4 O8 Mo3 109.33(12) . 3_666 ?
Mo1 O8 Mo3 103.94(14) . 3_666 ?
Mo4 O9 Mo2 118.68(17) . 3_666 ?
Mo4 O10 Mo3 107.73(14) . . ?
Mo4 O10 Mo1 109.59(14) . 3_666 ?
Mo3 O10 Mo1 104.63(14) . 3_666 ?
O3 Mo1 O4 104.26(15) . . ?
O3 Mo1 O2 103.07(15) . . ?
O4 Mo1 O2 101.59(15) . . ?
O3 Mo1 O8 98.49(14) . . ?
O4 Mo1 O8 96.76(14) . . ?
O2 Mo1 O8 147.10(12) . . ?
O3 Mo1 O7 162.43(12) . . ?
O4 Mo1 O7 92.34(13) . . ?
O2 Mo1 O7 78.69(13) . . ?
O8 Mo1 O7 73.46(12) . . ?
O3 Mo1 O10 90.59(13) . 3_666 ?
O4 Mo1 O10 162.82(13) . 3_666 ?
O2 Mo1 O10 82.99(12) . 3_666 ?
O8 Mo1 O10 72.15(12) . 3_666 ?
O7 Mo1 O10 72.16(10) . 3_666 ?
O3 Mo1 Mo4 133.40(12) . . ?
O4 Mo1 Mo4 84.04(11) . . ?
O2 Mo1 Mo4 120.32(9) . . ?
O8 Mo1 Mo4 35.08(9) . . ?
O7 Mo1 Mo4 41.64(8) . . ?
O10 Mo1 Mo4 79.43(8) 3_666 . ?
O1 Mo2 O6 105.03(16) . . ?
O1 Mo2 O5 104.42(15) . . ?
O6 Mo2 O5 96.37(14) . . ?
O1 Mo2 O2 103.94(15) . . ?
O6 Mo2 O2 97.54(15) . . ?
O5 Mo2 O2 143.80(13) . . ?
O1 Mo2 O9 94.12(14) . 3_666 ?
O6 Mo2 O9 160.85(15) . 3_666 ?
O5 Mo2 O9 78.24(12) . 3_666 ?
O2 Mo2 O9 77.72(12) . 3_666 ?
O1 Mo2 O7 164.07(13) . . ?
O6 Mo2 O7 90.89(14) . . ?
O5 Mo2 O7 73.27(12) . . ?
O2 Mo2 O7 73.25(12) . . ?
O9 Mo2 O7 69.96(11) 3_666 . ?
O12 Mo3 O13 104.77(15) . . ?
O12 Mo3 O5 101.00(15) . . ?
O13 Mo3 O5 101.57(15) . . ?
O12 Mo3 O10 99.44(14) . . ?
O13 Mo3 O10 97.28(15) . . ?
O5 Mo3 O10 147.50(13) . . ?
O12 Mo3 O7 162.73(13) . . ?
O13 Mo3 O7 92.06(13) . . ?
O5 Mo3 O7 78.95(13) . . ?
O10 Mo3 O7 74.13(12) . . ?
O12 Mo3 O8 90.85(13) . 3_666 ?
O13 Mo3 O8 162.41(14) . 3_666 ?
O5 Mo3 O8 82.91(12) . 3_666 ?
O10 Mo3 O8 71.76(12) . 3_666 ?
O7 Mo3 O8 71.95(10) . 3_666 ?
O12 Mo3 Mo4 135.00(12) . . ?
O13 Mo3 Mo4 83.84(12) . . ?
O5 Mo3 Mo4 120.77(10) . . ?
O10 Mo3 Mo4 35.73(8) . . ?
O7 Mo3 Mo4 41.83(8) . . ?
O8 Mo3 Mo4 79.33(8) 3_666 . ?
O11 Mo4 O9 105.46(16) . . ?
O11 Mo4 O8 101.71(14) . . ?
O9 Mo4 O8 96.75(14) . . ?
O11 Mo4 O10 100.43(14) . . ?
O9 Mo4 O10 96.58(14) . . ?
O8 Mo4 O10 150.00(13) . . ?
O11 Mo4 O7 98.13(14) . . ?
O9 Mo4 O7 156.41(13) . . ?
O8 Mo4 O7 78.45(12) . . ?
O10 Mo4 O7 78.60(12) . . ?
O11 Mo4 O7 172.86(14) . 3_666 ?
O9 Mo4 O7 81.63(13) . 3_666 ?
O8 Mo4 O7 77.83(11) . 3_666 ?
O10 Mo4 O7 77.69(11) . 3_666 ?
O7 Mo4 O7 74.77(12) . 3_666 ?
O11 Mo4 Mo3 88.93(11) . . ?
O9 Mo4 Mo3 133.11(10) . . ?
O8 Mo4 Mo3 124.20(10) . . ?
O10 Mo4 Mo3 36.54(9) . . ?
O7 Mo4 Mo3 45.76(8) . . ?
O7 Mo4 Mo3 85.55(8) 3_666 . ?
O11 Mo4 Mo1 90.16(11) . . ?
O9 Mo4 Mo1 132.90(11) . . ?
O8 Mo4 Mo1 36.16(9) . . ?
O10 Mo4 Mo1 124.41(10) . . ?
O7 Mo4 Mo1 45.82(8) . . ?
O7 Mo4 Mo1 85.36(8) 3_666 . ?
Mo3 Mo4 Mo1 90.248(17) . . ?
N1 Ag1 O6 153.14(14) . . ?
N1 Ag1 O4 124.10(14) . . ?
O6 Ag1 O4 82.73(12) . . ?

_refine_diff_density_max         0.931
_refine_diff_density_min         -0.832
_refine_diff_density_rms         0.184

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2





####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1959365'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H116 Ag2 As2 Mo8 N4 O28'
_chemical_formula_weight         2642.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.7196(4)
_cell_length_b                   15.0038(4)
_cell_length_c                   22.9225(7)
_cell_angle_alpha                90
_cell_angle_beta                 105.954(3)
_cell_angle_gamma                90
_cell_volume                     4536.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    9693
_cell_measurement_theta_min      3.7680
_cell_measurement_theta_max      29.2510

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_F_000             2616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    2.287
_shelx_estimated_absorpt_T_min   0.528
_shelx_estimated_absorpt_T_max   0.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.69225
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            23821
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.376
_diffrn_reflns_theta_max         29.493
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.848
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.848
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.848
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             10710
_reflns_number_gt                8788
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0257P)²+1.6793P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10710
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0295
_refine_ls_wR_factor_ref         0.0674
_refine_ls_wR_factor_gt          0.0628
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.9395(3) -0.0195(2) 0.61115(14) 0.0266(7) Uani 1 1 d . . . . .
H1A H 0.870258 -0.019850 0.611172 0.032 Uiso 1 1 calc R U . . .
C2 C 1.0722(2) 0.0490(2) 0.57501(15) 0.0276(8) Uani 1 1 d . . . . .
H2A H 1.079008 0.100135 0.549835 0.041 Uiso 1 1 calc R U . . .
H2B H 1.118703 0.055997 0.615675 0.041 Uiso 1 1 calc R U . . .
H2C H 1.088604 -0.005900 0.556569 0.041 Uiso 1 1 calc R U . . .
C3 C 0.8973(3) 0.1111(2) 0.54691(15) 0.0322(8) Uani 1 1 d . . . . .
H3A H 0.931863 0.152427 0.526150 0.048 Uiso 1 1 calc R U . . .
H3B H 0.841692 0.081595 0.516975 0.048 Uiso 1 1 calc R U . . .
H3C H 0.870012 0.144135 0.575789 0.048 Uiso 1 1 calc R U . . .
C4 C 0.7063(2) 0.42747(19) 0.44822(13) 0.0179(6) Uani 1 1 d . . . . .
C5 C 0.6601(2) 0.4071(2) 0.49331(13) 0.0211(7) Uani 1 1 d . . . . .
H5A H 0.653988 0.346784 0.504359 0.025 Uiso 1 1 calc R U . . .
C6 C 0.6230(3) 0.4747(2) 0.52215(14) 0.0267(7) Uani 1 1 d . . . . .
H6A H 0.592126 0.460698 0.553377 0.032 Uiso 1 1 calc R U . . .
C7 C 0.6305(3) 0.5626(2) 0.50578(14) 0.0268(8) Uani 1 1 d . . . . .
H7A H 0.604198 0.608769 0.525394 0.032 Uiso 1 1 calc R U . . .
C8 C 0.6763(3) 0.5830(2) 0.46103(15) 0.0280(8) Uani 1 1 d . . . . .
H8A H 0.681517 0.643390 0.449767 0.034 Uiso 1 1 calc R U . . .
C9 C 0.7148(3) 0.5156(2) 0.43231(15) 0.0256(7) Uani 1 1 d . . . . .
H9A H 0.747009 0.529933 0.401743 0.031 Uiso 1 1 calc R U . . .
C10 C 0.7617(2) 0.3855(2) 0.33330(13) 0.0196(7) Uani 1 1 d . . . . .
C11 C 0.8506(3) 0.4163(2) 0.32382(14) 0.0229(7) Uani 1 1 d . . . . .
H11A H 0.912919 0.409266 0.354343 0.027 Uiso 1 1 calc R U . . .
C12 C 0.8486(3) 0.4579(2) 0.26905(15) 0.0292(8) Uani 1 1 d . . . . .
H12A H 0.909803 0.478749 0.262079 0.035 Uiso 1 1 calc R U . . .
C13 C 0.7578(3) 0.4688(2) 0.22496(15) 0.0303(8) Uani 1 1 d . . . . .
H13A H 0.756714 0.497474 0.187829 0.036 Uiso 1 1 calc R U . . .
C14 C 0.6689(3) 0.4382(3) 0.23470(15) 0.0331(9) Uani 1 1 d . . . . .
H14A H 0.606389 0.446420 0.204543 0.040 Uiso 1 1 calc R U . . .
C15 C 0.6709(3) 0.3954(2) 0.28871(14) 0.0310(8) Uani 1 1 d . . . . .
H15A H 0.609973 0.372888 0.295085 0.037 Uiso 1 1 calc R U . . .
C16 C 0.8943(2) 0.3146(2) 0.45324(13) 0.0207(7) Uani 1 1 d . . . . .
C17 C 0.9503(2) 0.2488(2) 0.43534(14) 0.0223(7) Uani 1 1 d . . . . .
H17A H 0.920259 0.213040 0.400898 0.027 Uiso 1 1 calc R U . . .
C18 C 1.0503(3) 0.2351(2) 0.46762(15) 0.0294(8) Uani 1 1 d . . . . .
H18A H 1.089305 0.190984 0.454511 0.035 Uiso 1 1 calc R U . . .
C19 C 1.0937(3) 0.2849(2) 0.51869(17) 0.0364(9) Uani 1 1 d . . . . .
H19A H 1.161606 0.273870 0.541630 0.044 Uiso 1 1 calc R U . . .
C20 C 1.0376(3) 0.3507(3) 0.53611(18) 0.0440(10) Uani 1 1 d . . . . .
H20A H 1.067801 0.385773 0.570891 0.053 Uiso 1 1 calc R U . . .
C21 C 0.9378(3) 0.3667(2) 0.50373(15) 0.0330(9) Uani 1 1 d . . . . .
H21A H 0.899901 0.412526 0.515928 0.040 Uiso 1 1 calc R U . . .
C22 C 0.3937(2) 0.60843(18) 0.25488(13) 0.0175(6) Uani 1 1 d . . . . .
H22A H 0.322622 0.598622 0.230832 0.021 Uiso 1 1 calc R U . . .
H22B H 0.437806 0.588953 0.229619 0.021 Uiso 1 1 calc R U . . .
C23 C 0.4146(3) 0.54917(19) 0.31013(13) 0.0215(7) Uani 1 1 d . . . . .
H23A H 0.366095 0.562546 0.333915 0.026 Uiso 1 1 calc R U . . .
H23B H 0.484085 0.559997 0.336278 0.026 Uiso 1 1 calc R U . . .
C24 C 0.4037(2) 0.45231(19) 0.28948(14) 0.0209(7) Uani 1 1 d . . . . .
H24A H 0.451505 0.440147 0.265033 0.025 Uiso 1 1 calc R U . . .
H24B H 0.334082 0.442438 0.263224 0.025 Uiso 1 1 calc R U . . .
C25 C 0.4245(3) 0.3875(2) 0.34267(14) 0.0266(8) Uani 1 1 d . . . . .
H25A H 0.416563 0.326171 0.327285 0.040 Uiso 1 1 calc R U . . .
H25B H 0.493778 0.396096 0.368359 0.040 Uiso 1 1 calc R U . . .
H25C H 0.376365 0.398386 0.366550 0.040 Uiso 1 1 calc R U . . .
C26 C 0.5192(2) 0.7291(2) 0.29873(13) 0.0181(6) Uani 1 1 d . . . . .
H26A H 0.525723 0.794526 0.303708 0.022 Uiso 1 1 calc R U . . .
H26B H 0.534773 0.702759 0.339871 0.022 Uiso 1 1 calc R U . . .
C27 C 0.5982(2) 0.6976(2) 0.26923(15) 0.0275(8) Uani 1 1 d . . . . .
H27A H 0.585824 0.724697 0.228460 0.033 Uiso 1 1 calc R U . . .
H27B H 0.594200 0.632029 0.264383 0.033 Uiso 1 1 calc R U . . .
C28 C 0.7021(3) 0.7236(3) 0.30781(16) 0.0333(8) Uani 1 1 d . . . . .
H28A H 0.705532 0.789371 0.310835 0.040 Uiso 1 1 calc R U . . .
H28B H 0.711062 0.699805 0.349242 0.040 Uiso 1 1 calc R U . . .
C29 C 0.7885(3) 0.6916(3) 0.2851(2) 0.0486(11) Uani 1 1 d . . . . .
H29A H 0.852756 0.711407 0.312793 0.073 Uiso 1 1 calc R U . . .
H29B H 0.787464 0.626334 0.283035 0.073 Uiso 1 1 calc R U . . .
H29C H 0.781922 0.716094 0.244544 0.073 Uiso 1 1 calc R U . . .
C30 C 0.3779(2) 0.74989(19) 0.20301(12) 0.0178(6) Uani 1 1 d . . . . .
H30A H 0.422279 0.725671 0.179298 0.021 Uiso 1 1 calc R U . . .
H30B H 0.307680 0.731021 0.182507 0.021 Uiso 1 1 calc R U . . .
C31 C 0.3825(2) 0.85048(19) 0.20119(13) 0.0205(7) Uani 1 1 d . . . . .
H31A H 0.450765 0.871162 0.224168 0.025 Uiso 1 1 calc R U . . .
H31B H 0.332351 0.876262 0.220305 0.025 Uiso 1 1 calc R U . . .
C32 C 0.3594(2) 0.8815(2) 0.13523(13) 0.0215(7) Uani 1 1 d . . . . .
H32A H 0.409796 0.854984 0.116595 0.026 Uiso 1 1 calc R U . . .
H32B H 0.291641 0.859325 0.112580 0.026 Uiso 1 1 calc R U . . .
C33 C 0.3616(3) 0.9822(2) 0.12900(14) 0.0286(8) Uani 1 1 d . . . . .
H33A H 0.346422 0.998167 0.085974 0.043 Uiso 1 1 calc R U . . .
H33B H 0.310842 1.008899 0.146495 0.043 Uiso 1 1 calc R U . . .
H33C H 0.429057 1.004556 0.150513 0.043 Uiso 1 1 calc R U . . .
C34 C 0.3477(2) 0.7437(2) 0.30668(13) 0.0191(7) Uani 1 1 d . . . . .
H34A H 0.358972 0.808861 0.311076 0.023 Uiso 1 1 calc R U . . .
H34B H 0.373957 0.716898 0.347441 0.023 Uiso 1 1 calc R U . . .
C35 C 0.2344(2) 0.7270(2) 0.28520(14) 0.0230(7) Uani 1 1 d . . . . .
H35A H 0.221582 0.662198 0.279867 0.028 Uiso 1 1 calc R U . . .
H35B H 0.206042 0.756266 0.245419 0.028 Uiso 1 1 calc R U . . .
C36 C 0.1820(3) 0.7632(3) 0.33077(15) 0.0325(8) Uani 1 1 d . . . . .
H36A H 0.212648 0.735739 0.370890 0.039 Uiso 1 1 calc R U . . .
H36B H 0.193104 0.828380 0.334909 0.039 Uiso 1 1 calc R U . . .
C37 C 0.0687(3) 0.7444(3) 0.31176(16) 0.0344(9) Uani 1 1 d . . . . .
H37A H 0.037933 0.768747 0.342220 0.052 Uiso 1 1 calc R U . . .
H37B H 0.037798 0.772547 0.272427 0.052 Uiso 1 1 calc R U . . .
H37C H 0.057337 0.679934 0.308398 0.052 Uiso 1 1 calc R U . . .
N1 N 0.40912(18) 0.70797(15) 0.26622(10) 0.0156(5) Uani 1 1 d . . . . .
N2 N 0.9692(2) 0.04421(17) 0.57937(12) 0.0231(6) Uani 1 1 d . . . . .
O1 O 0.50562(16) 0.13187(13) 0.33066(9) 0.0190(5) Uani 1 1 d . . . . .
O2 O 0.69615(16) 0.04774(13) 0.41315(9) 0.0182(4) Uani 1 1 d . . . . .
O3 O 0.66413(15) 0.15744(12) 0.51836(9) 0.0163(4) Uani 1 1 d . . . . .
O4 O 0.70384(16) -0.13316(13) 0.41877(9) 0.0196(5) Uani 1 1 d . . . . .
O5 O 0.66747(14) -0.03164(12) 0.51631(8) 0.0127(4) Uani 1 1 d . . . . .
O6 O 0.52480(15) -0.04866(12) 0.35280(8) 0.0154(4) Uani 1 1 d . . . . .
O7 O 0.50489(14) 0.04368(12) 0.44838(8) 0.0118(4) Uani 1 1 d . . . . .
O8 O 0.64609(15) 0.05990(12) 0.61644(8) 0.0152(4) Uani 1 1 d . . . . .
O9 O 0.47387(14) 0.13417(12) 0.53919(8) 0.0122(4) Uani 1 1 d . . . . .
O10 O 0.29776(15) 0.22233(13) 0.46495(9) 0.0192(5) Uani 1 1 d . . . . .
O11 O 0.33792(15) 0.11562(13) 0.37419(8) 0.0162(4) Uani 1 1 d . . . . .
O12 O 0.35061(16) 0.02476(13) 0.27015(9) 0.0207(5) Uani 1 1 d . . . . .
O13 O 0.47969(16) 0.23765(13) 0.44004(8) 0.0183(4) Uani 1 1 d . . . . .
O14 O 0.99447(19) -0.07788(16) 0.64044(10) 0.0327(6) Uani 1 1 d . . . . .
As1 As 0.75324(2) 0.32931(2) 0.40799(2) 0.01670(7) Uani 1 1 d . . . . .
Mo1 Mo 0.42715(2) 0.04659(2) 0.34024(2) 0.01345(6) Uani 1 1 d . . . . .
Mo2 Mo 0.39513(2) 0.16161(2) 0.45335(2) 0.01210(6) Uani 1 1 d . . . . .
Mo3 Mo 0.59807(2) 0.07181(2) 0.53777(2) 0.01057(6) Uani 1 1 d . . . . .
Mo4 Mo 0.63103(2) -0.04480(2) 0.42591(2) 0.01234(6) Uani 1 1 d . . . . .
Ag1 Ag 0.63900(2) 0.20038(2) 0.40004(2) 0.02545(7) Uani 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
C1 O14 1.228(4) . ?
C1 N2 1.332(4) . ?
C1 H1A 0.9500 . ?
C2 N2 1.446(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 N2 1.459(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C9 1.385(4) . ?
C4 C5 1.387(4) . ?
C4 As1 1.939(3) . ?
C5 C6 1.382(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.382(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.376(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.388(4) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.377(4) . ?
C10 C15 1.384(4) . ?
C10 As1 1.940(3) . ?
C11 C12 1.395(4) . ?
C11 H11A 0.9500 . ?
C12 C13 1.381(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.378(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.388(5) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 C17 1.382(4) . ?
C16 C21 1.388(4) . ?
C16 As1 1.940(3) . ?
C17 C18 1.383(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.378(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.377(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.387(5) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 C23 1.509(4) . ?
C22 N1 1.521(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.523(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.524(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.503(4) . ?
C26 N1 1.522(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.508(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.499(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.512(4) . ?
C30 N1 1.529(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.530(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.519(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 N1 1.513(4) . ?
C34 C35 1.516(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.522(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.521(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
O1 Mo1 1.725(2) . ?
O1 Ag1 2.310(2) . ?
O2 Mo4 1.719(2) . ?
O2 Ag1 2.413(2) . ?
O3 Mo3 1.7004(19) . ?
O4 Mo4 1.695(2) . ?
O5 Mo3 1.9533(18) . ?
O5 Mo4 2.0033(18) . ?
O5 Mo2 2.3135(19) 3_656 ?
O6 Mo4 1.8956(19) . ?
O6 Mo1 1.9257(19) . ?
O7 Mo3 2.1379(17) . ?
O7 Mo3 2.3118(19) 3_656 ?
O7 Mo2 2.3465(18) . ?
O7 Mo4 2.3479(19) . ?
O7 Mo1 2.4148(17) . ?
O8 Mo3 1.7508(18) . ?
O8 Mo1 2.258(2) 3_656 ?
O9 Mo3 1.9520(19) . ?
O9 Mo2 2.0099(18) . ?
O9 Mo4 2.2677(19) 3_656 ?
O10 Mo2 1.697(2) . ?
O11 Mo2 1.8979(18) . ?
O11 Mo1 1.924(2) . ?
O12 Mo1 1.6922(19) . ?
O13 Mo2 1.713(2) . ?
As1 Ag1 2.4647(4) . ?
Mo2 Mo3 3.2171(3) . ?

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
O14 C1 N2 125.2(3) . . ?
O14 C1 H1A 117.4 . . ?
N2 C1 H1A 117.4 . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C9 C4 C5 119.7(3) . . ?
C9 C4 As1 122.5(2) . . ?
C5 C4 As1 117.8(2) . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C5 C6 C7 120.3(3) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 119.9(3) . . ?
C8 C7 H7A 120.1 . . ?
C6 C7 H7A 120.1 . . ?
C7 C8 C9 120.1(3) . . ?
C7 C8 H8A 119.9 . . ?
C9 C8 H8A 119.9 . . ?
C4 C9 C8 120.0(3) . . ?
C4 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C11 C10 C15 120.2(3) . . ?
C11 C10 As1 123.7(2) . . ?
C15 C10 As1 116.0(2) . . ?
C10 C11 C12 119.5(3) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13A 119.9 . . ?
C12 C13 H13A 119.9 . . ?
C13 C14 C15 119.8(3) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C10 C15 C14 120.1(3) . . ?
C10 C15 H15A 119.9 . . ?
C14 C15 H15A 119.9 . . ?
C17 C16 C21 120.2(3) . . ?
C17 C16 As1 118.5(2) . . ?
C21 C16 As1 121.3(3) . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C19 C18 C17 120.5(3) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C20 C19 C18 119.3(3) . . ?
C20 C19 H19A 120.3 . . ?
C18 C19 H19A 120.3 . . ?
C19 C20 C21 121.1(3) . . ?
C19 C20 H20A 119.4 . . ?
C21 C20 H20A 119.4 . . ?
C20 C21 C16 119.0(3) . . ?
C20 C21 H21A 120.5 . . ?
C16 C21 H21A 120.5 . . ?
C23 C22 N1 116.7(2) . . ?
C23 C22 H22A 108.1 . . ?
N1 C22 H22A 108.1 . . ?
C23 C22 H22B 108.1 . . ?
N1 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
C22 C23 C24 108.8(2) . . ?
C22 C23 H23A 109.9 . . ?
C24 C23 H23A 109.9 . . ?
C22 C23 H23B 109.9 . . ?
C24 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
C23 C24 C25 112.3(3) . . ?
C23 C24 H24A 109.1 . . ?
C25 C24 H24A 109.1 . . ?
C23 C24 H24B 109.1 . . ?
C25 C24 H24B 109.1 . . ?
H24A C24 H24B 107.9 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 N1 117.1(2) . . ?
C27 C26 H26A 108.0 . . ?
N1 C26 H26A 108.0 . . ?
C27 C26 H26B 108.0 . . ?
N1 C26 H26B 108.0 . . ?
H26A C26 H26B 107.3 . . ?
C26 C27 C28 109.8(3) . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27B 109.7 . . ?
C28 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C29 C28 C27 115.1(3) . . ?
C29 C28 H28A 108.5 . . ?
C27 C28 H28A 108.5 . . ?
C29 C28 H28B 108.5 . . ?
C27 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 N1 115.7(2) . . ?
C31 C30 H30A 108.4 . . ?
N1 C30 H30A 108.4 . . ?
C31 C30 H30B 108.4 . . ?
N1 C30 H30B 108.4 . . ?
H30A C30 H30B 107.4 . . ?
C30 C31 C32 109.4(2) . . ?
C30 C31 H31A 109.8 . . ?
C32 C31 H31A 109.8 . . ?
C30 C31 H31B 109.8 . . ?
C32 C31 H31B 109.8 . . ?
H31A C31 H31B 108.2 . . ?
C33 C32 C31 113.0(2) . . ?
C33 C32 H32A 109.0 . . ?
C31 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N1 C34 C35 115.9(2) . . ?
N1 C34 H34A 108.3 . . ?
C35 C34 H34A 108.3 . . ?
N1 C34 H34B 108.3 . . ?
C35 C34 H34B 108.3 . . ?
H34A C34 H34B 107.4 . . ?
C34 C35 C36 110.7(2) . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C37 C36 C35 112.1(3) . . ?
C37 C36 H36A 109.2 . . ?
C35 C36 H36A 109.2 . . ?
C37 C36 H36B 109.2 . . ?
C35 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 N1 C22 112.2(2) . . ?
C34 N1 C26 105.7(2) . . ?
C22 N1 C26 111.2(2) . . ?
C34 N1 C30 112.1(2) . . ?
C22 N1 C30 104.6(2) . . ?
C26 N1 C30 111.1(2) . . ?
C1 N2 C2 121.7(3) . . ?
C1 N2 C3 120.5(3) . . ?
C2 N2 C3 117.8(3) . . ?
Mo1 O1 Ag1 130.29(10) . . ?
Mo4 O2 Ag1 128.43(11) . . ?
Mo3 O5 Mo4 109.78(9) . . ?
Mo3 O5 Mo2 110.32(9) . 3_656 ?
Mo4 O5 Mo2 102.71(8) . 3_656 ?
Mo4 O6 Mo1 116.34(9) . . ?
Mo3 O7 Mo3 104.09(7) . 3_656 ?
Mo3 O7 Mo2 91.56(6) . . ?
Mo3 O7 Mo2 97.70(7) 3_656 . ?
Mo3 O7 Mo4 92.25(7) . . ?
Mo3 O7 Mo4 96.97(7) 3_656 . ?
Mo2 O7 Mo4 163.45(9) . . ?
Mo3 O7 Mo1 163.60(9) . . ?
Mo3 O7 Mo1 92.31(6) 3_656 . ?
Mo2 O7 Mo1 85.87(6) . . ?
Mo4 O7 Mo1 85.94(6) . . ?
Mo3 O8 Mo1 115.99(9) . 3_656 ?
Mo3 O9 Mo2 108.58(9) . . ?
Mo3 O9 Mo4 111.34(8) . 3_656 ?
Mo2 O9 Mo4 104.12(8) . 3_656 ?
Mo2 O11 Mo1 116.15(10) . . ?
C4 As1 C16 104.16(13) . . ?
C4 As1 C10 101.38(12) . . ?
C16 As1 C10 103.22(13) . . ?
C4 As1 Ag1 110.10(9) . . ?
C16 As1 Ag1 118.09(9) . . ?
C10 As1 Ag1 117.83(9) . . ?
O12 Mo1 O1 105.60(10) . . ?
O12 Mo1 O11 100.98(9) . . ?
O1 Mo1 O11 98.11(9) . . ?
O12 Mo1 O6 102.89(9) . . ?
O1 Mo1 O6 97.86(9) . . ?
O11 Mo1 O6 146.41(8) . . ?
O12 Mo1 O8 92.61(9) . 3_656 ?
O1 Mo1 O8 161.79(8) . 3_656 ?
O11 Mo1 O8 78.08(8) . 3_656 ?
O6 Mo1 O8 77.55(8) . 3_656 ?
O12 Mo1 O7 162.72(9) . . ?
O1 Mo1 O7 91.67(8) . . ?
O11 Mo1 O7 75.23(7) . . ?
O6 Mo1 O7 74.94(7) . . ?
O8 Mo1 O7 70.13(7) 3_656 . ?
O10 Mo2 O13 105.73(10) . . ?
O10 Mo2 O11 102.03(9) . . ?
O13 Mo2 O11 101.19(9) . . ?
O10 Mo2 O9 101.02(8) . . ?
O13 Mo2 O9 95.90(8) . . ?
O11 Mo2 O9 146.23(8) . . ?
O10 Mo2 O5 91.84(8) . 3_656 ?
O13 Mo2 O5 160.11(8) . 3_656 ?
O11 Mo2 O5 83.73(7) . 3_656 ?
O9 Mo2 O5 71.17(7) . 3_656 ?
O10 Mo2 O7 162.88(8) . . ?
O13 Mo2 O7 91.06(8) . . ?
O11 Mo2 O7 77.39(7) . . ?
O9 Mo2 O7 73.36(7) . . ?
O5 Mo2 O7 71.04(7) 3_656 . ?
O10 Mo2 Mo3 135.97(7) . . ?
O13 Mo2 Mo3 82.51(7) . . ?
O11 Mo2 Mo3 119.00(6) . . ?
O9 Mo2 Mo3 35.11(5) . . ?
O5 Mo2 Mo3 78.32(5) 3_656 . ?
O7 Mo2 Mo3 41.63(4) . . ?
O3 Mo3 O8 105.66(9) . . ?
O3 Mo3 O9 99.94(9) . . ?
O8 Mo3 O9 96.60(8) . . ?
O3 Mo3 O5 101.69(9) . . ?
O8 Mo3 O5 96.13(8) . . ?
O9 Mo3 O5 150.84(8) . . ?
O3 Mo3 O7 96.88(8) . . ?
O8 Mo3 O7 157.47(8) . . ?
O9 Mo3 O7 79.39(7) . . ?
O5 Mo3 O7 78.83(7) . . ?
O3 Mo3 O7 172.69(8) . 3_656 ?
O8 Mo3 O7 81.56(8) . 3_656 ?
O9 Mo3 O7 77.76(7) . 3_656 ?
O5 Mo3 O7 78.32(7) . 3_656 ?
O7 Mo3 O7 75.91(7) . 3_656 ?
O3 Mo3 Mo2 87.80(6) . . ?
O8 Mo3 Mo2 132.90(7) . . ?
O9 Mo3 Mo2 36.31(5) . . ?
O5 Mo3 Mo2 125.63(5) . . ?
O7 Mo3 Mo2 46.81(5) . . ?
O7 Mo3 Mo2 86.33(4) 3_656 . ?
O4 Mo4 O2 105.52(10) . . ?
O4 Mo4 O6 102.77(9) . . ?
O2 Mo4 O6 100.57(9) . . ?
O4 Mo4 O5 101.01(9) . . ?
O2 Mo4 O5 95.90(9) . . ?
O6 Mo4 O5 146.11(8) . . ?
O4 Mo4 O9 91.13(8) . 3_656 ?
O2 Mo4 O9 161.36(8) . 3_656 ?
O6 Mo4 O9 83.42(8) . 3_656 ?
O5 Mo4 O9 72.28(7) . 3_656 ?
O4 Mo4 O7 162.38(8) . . ?
O2 Mo4 O7 91.69(8) . . ?
O6 Mo4 O7 77.13(7) . . ?
O5 Mo4 O7 72.95(7) . . ?
O9 Mo4 O7 71.30(7) 3_656 . ?
O1 Ag1 O2 80.34(7) . . ?
O1 Ag1 As1 140.14(5) . . ?
O2 Ag1 As1 123.88(5) . . ?

_refine_diff_density_max         0.761
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.114

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1959364'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H116 Ag2 Mo8 N4 O28 P2'
_chemical_formula_weight         2554.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.6714(6)
_cell_length_b                   14.9284(5)
_cell_length_c                   22.8407(10)
_cell_angle_alpha                90
_cell_angle_beta                 105.875(4)
_cell_angle_gamma                90
_cell_volume                     4483.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    7336
_cell_measurement_theta_min      3.7860
_cell_measurement_theta_max      29.0580

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_F_000             2544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.617
_shelx_estimated_absorpt_T_min   0.626
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.89628
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            27691
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.386
_diffrn_reflns_theta_max         29.525
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             10869
_reflns_number_gt                8298
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0215P)²+4.8146P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10869
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_ref         0.0764
_refine_ls_wR_factor_gt          0.0664
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.0594(3) -0.0185(3) 0.38713(18) 0.0278(9) Uani 1 1 d . . . . .
H1A H 0.128702 -0.019613 0.386813 0.033 Uiso 1 1 calc R U . . .
C2 C -0.0720(3) 0.0507(3) 0.42515(18) 0.0285(9) Uani 1 1 d . . . . .
H2A H -0.077652 0.101441 0.451277 0.043 Uiso 1 1 calc R U . . .
H2B H -0.118854 0.059432 0.384593 0.043 Uiso 1 1 calc R U . . .
H2C H -0.089384 -0.004800 0.442886 0.043 Uiso 1 1 calc R U . . .
C3 C 0.1040(3) 0.1099(3) 0.45399(19) 0.0327(10) Uani 1 1 d . . . . .
H3A H 0.069559 0.150923 0.475383 0.049 Uiso 1 1 calc R U . . .
H3B H 0.158930 0.078818 0.483632 0.049 Uiso 1 1 calc R U . . .
H3C H 0.132349 0.144025 0.425814 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2914(3) 0.4225(2) 0.55403(16) 0.0174(8) Uani 1 1 d . . . . .
C5 C 0.3382(3) 0.4019(2) 0.50886(16) 0.0208(8) Uani 1 1 d . . . . .
H5A H 0.344421 0.341111 0.498098 0.025 Uiso 1 1 calc R U . . .
C6 C 0.3756(3) 0.4690(2) 0.47953(17) 0.0246(9) Uani 1 1 d . . . . .
H6A H 0.406621 0.454116 0.448316 0.030 Uiso 1 1 calc R U . . .
C7 C 0.3683(3) 0.5581(3) 0.49529(18) 0.0258(9) Uani 1 1 d . . . . .
H7A H 0.395009 0.604165 0.475447 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3219(3) 0.5790(2) 0.53984(18) 0.0262(9) Uani 1 1 d . . . . .
H8A H 0.315931 0.639911 0.550444 0.031 Uiso 1 1 calc R U . . .
C9 C 0.2838(3) 0.5119(2) 0.56950(18) 0.0235(9) Uani 1 1 d . . . . .
H9A H 0.252411 0.527093 0.600475 0.028 Uiso 1 1 calc R U . . .
C10 C 0.3306(3) 0.3886(3) 0.70874(17) 0.0277(9) Uani 1 1 d . . . . .
H10A H 0.390992 0.364684 0.701914 0.033 Uiso 1 1 calc R U . . .
C11 C 0.3350(3) 0.4308(3) 0.76322(18) 0.0313(10) Uani 1 1 d . . . . .
H11A H 0.398346 0.437902 0.793044 0.038 Uiso 1 1 calc R U . . .
C12 C 0.2461(3) 0.4627(3) 0.77411(18) 0.0276(9) Uani 1 1 d . . . . .
H12A H 0.248231 0.490832 0.811731 0.033 Uiso 1 1 calc R U . . .
C13 C 0.1551(3) 0.4533(2) 0.73029(18) 0.0269(9) Uani 1 1 d . . . . .
H13A H 0.094236 0.474373 0.737969 0.032 Uiso 1 1 calc R U . . .
C14 C 0.1515(3) 0.4134(2) 0.67489(17) 0.0220(8) Uani 1 1 d . . . . .
H14A H 0.088487 0.408591 0.644507 0.026 Uiso 1 1 calc R U . . .
C15 C 0.2390(3) 0.3806(2) 0.66371(16) 0.0188(8) Uani 1 1 d . . . . .
C16 C 0.0664(3) 0.3675(3) 0.49932(19) 0.0319(10) Uani 1 1 d . . . . .
H16A H 0.103061 0.414022 0.486397 0.038 Uiso 1 1 calc R U . . .
C17 C 0.1129(3) 0.3155(2) 0.54957(16) 0.0177(8) Uani 1 1 d . . . . .
C18 C 0.0576(3) 0.2474(2) 0.56756(17) 0.0216(8) Uani 1 1 d . . . . .
H18A H 0.089019 0.210726 0.601474 0.026 Uiso 1 1 calc R U . . .
C19 C -0.0432(3) 0.2331(2) 0.53607(18) 0.0258(9) Uani 1 1 d . . . . .
H19A H -0.080753 0.187603 0.549296 0.031 Uiso 1 1 calc R U . . .
C20 C -0.0897(3) 0.2840(3) 0.4858(2) 0.0334(10) Uani 1 1 d . . . . .
H20A H -0.158444 0.273230 0.463905 0.040 Uiso 1 1 calc R U . . .
C21 C -0.0345(3) 0.3509(3) 0.4680(2) 0.0405(12) Uani 1 1 d . . . . .
H21A H -0.066090 0.386460 0.433582 0.049 Uiso 1 1 calc R U . . .
C22 C 0.4798(3) 0.7298(2) 0.70023(16) 0.0182(8) Uani 1 1 d . . . . .
H22A H 0.472596 0.795577 0.695708 0.022 Uiso 1 1 calc R U . . .
H22B H 0.464799 0.704030 0.658772 0.022 Uiso 1 1 calc R U . . .
C23 C 0.4003(3) 0.6965(3) 0.72944(18) 0.0265(9) Uani 1 1 d . . . . .
H23A H 0.411698 0.723515 0.770352 0.032 Uiso 1 1 calc R U . . .
H23B H 0.405528 0.630629 0.734248 0.032 Uiso 1 1 calc R U . . .
C24 C 0.2954(3) 0.7213(3) 0.69034(19) 0.0306(10) Uani 1 1 d . . . . .
H24A H 0.290757 0.787382 0.686966 0.037 Uiso 1 1 calc R U . . .
H24B H 0.286811 0.697000 0.648912 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2098(3) 0.6877(3) 0.7140(2) 0.0456(13) Uani 1 1 d . . . . .
H25A H 0.144712 0.706378 0.686351 0.068 Uiso 1 1 calc R U . . .
H25B H 0.212462 0.622201 0.716439 0.068 Uiso 1 1 calc R U . . .
H25C H 0.216415 0.712722 0.754551 0.068 Uiso 1 1 calc R U . . .
C26 C 0.6073(3) 0.6099(2) 0.74430(16) 0.0175(8) Uani 1 1 d . . . . .
H26A H 0.563968 0.589822 0.770091 0.021 Uiso 1 1 calc R U . . .
H26B H 0.678978 0.600808 0.767950 0.021 Uiso 1 1 calc R U . . .
C27 C 0.5860(3) 0.5502(2) 0.68871(16) 0.0209(8) Uani 1 1 d . . . . .
H27A H 0.634306 0.563856 0.664574 0.025 Uiso 1 1 calc R U . . .
H27B H 0.516135 0.560794 0.662745 0.025 Uiso 1 1 calc R U . . .
C28 C 0.5978(3) 0.4525(2) 0.70961(17) 0.0211(8) Uani 1 1 d . . . . .
H28A H 0.667625 0.442999 0.735995 0.025 Uiso 1 1 calc R U . . .
H28B H 0.549766 0.439912 0.734100 0.025 Uiso 1 1 calc R U . . .
C29 C 0.5777(3) 0.3874(2) 0.65621(17) 0.0267(9) Uani 1 1 d . . . . .
H29A H 0.585987 0.325827 0.671591 0.040 Uiso 1 1 calc R U . . .
H29B H 0.508113 0.395776 0.630399 0.040 Uiso 1 1 calc R U . . .
H29C H 0.625947 0.398862 0.632294 0.040 Uiso 1 1 calc R U . . .
C30 C 0.6520(3) 0.7455(2) 0.69241(16) 0.0174(8) Uani 1 1 d . . . . .
H30A H 0.640109 0.810884 0.687956 0.021 Uiso 1 1 calc R U . . .
H30B H 0.625924 0.718449 0.651534 0.021 Uiso 1 1 calc R U . . .
C31 C 0.7660(3) 0.7296(2) 0.71383(17) 0.0208(8) Uani 1 1 d . . . . .
H31A H 0.794123 0.758999 0.753740 0.025 Uiso 1 1 calc R U . . .
H31B H 0.779420 0.664488 0.719201 0.025 Uiso 1 1 calc R U . . .
C32 C 0.8182(3) 0.7659(3) 0.66881(18) 0.0285(9) Uani 1 1 d . . . . .
H32A H 0.807622 0.831485 0.665163 0.034 Uiso 1 1 calc R U . . .
H32B H 0.787110 0.738990 0.628381 0.034 Uiso 1 1 calc R U . . .
C33 C 0.9315(3) 0.7463(3) 0.6874(2) 0.0320(10) Uani 1 1 d . . . . .
H33A H 0.962392 0.771067 0.656975 0.048 Uiso 1 1 calc R U . . .
H33B H 0.962847 0.773875 0.727090 0.048 Uiso 1 1 calc R U . . .
H33C H 0.942340 0.681400 0.690316 0.048 Uiso 1 1 calc R U . . .
C34 C 0.6213(3) 0.7510(2) 0.79623(16) 0.0179(8) Uani 1 1 d . . . . .
H34A H 0.576609 0.726577 0.819882 0.022 Uiso 1 1 calc R U . . .
H34B H 0.691678 0.731889 0.816822 0.022 Uiso 1 1 calc R U . . .
C35 C 0.6171(3) 0.8518(2) 0.79851(16) 0.0201(8) Uani 1 1 d . . . . .
H35A H 0.548921 0.872912 0.775106 0.024 Uiso 1 1 calc R U . . .
H35B H 0.668068 0.877861 0.779895 0.024 Uiso 1 1 calc R U . . .
C36 C 0.6387(3) 0.8824(2) 0.86442(17) 0.0228(8) Uani 1 1 d . . . . .
H36A H 0.706523 0.860222 0.887465 0.027 Uiso 1 1 calc R U . . .
H36B H 0.587685 0.855450 0.882654 0.027 Uiso 1 1 calc R U . . .
C37 C 0.6359(3) 0.9844(2) 0.87082(18) 0.0280(9) Uani 1 1 d . . . . .
H37A H 0.650290 1.000246 0.913968 0.042 Uiso 1 1 calc R U . . .
H37B H 0.687335 1.011443 0.853696 0.042 Uiso 1 1 calc R U . . .
H37C H 0.568450 1.006669 0.848883 0.042 Uiso 1 1 calc R U . . .
N1 N 0.0317(2) 0.0450(2) 0.42022(14) 0.0223(7) Uani 1 1 d . . . . .
N2 N 0.5904(2) 0.70916(18) 0.73292(13) 0.0160(6) Uani 1 1 d . . . . .
O1 O 0.49003(19) 0.13631(15) 0.66715(11) 0.0183(5) Uani 1 1 d . . . . .
O2 O 0.30116(18) 0.05056(15) 0.58563(11) 0.0173(5) Uani 1 1 d . . . . .
O3 O 0.33543(17) 0.15829(14) 0.47935(11) 0.0156(5) Uani 1 1 d . . . . .
O4 O 0.51926(18) 0.24057(14) 0.55740(10) 0.0172(5) Uani 1 1 d . . . . .
O5 O 0.64499(19) 0.03014(15) 0.73010(11) 0.0208(6) Uani 1 1 d . . . . .
O6 O 0.66025(18) 0.11910(14) 0.62576(10) 0.0153(5) Uani 1 1 d . . . . .
O7 O 0.70233(19) 0.22393(15) 0.53394(11) 0.0196(6) Uani 1 1 d . . . . .
O8 O 0.52686(17) 0.13401(14) 0.45957(10) 0.0122(5) Uani 1 1 d . . . . .
O9 O 0.49401(17) 0.04549(13) 0.55123(10) 0.0111(5) Uani 1 1 d . . . . .
O10 O 0.47235(18) -0.04550(14) 0.64748(10) 0.0152(5) Uani 1 1 d . . . . .
O11 O 0.35494(17) 0.05788(14) 0.38236(10) 0.0139(5) Uani 1 1 d . . . . .
O12 O 0.33170(17) -0.03145(14) 0.48296(10) 0.0126(5) Uani 1 1 d . . . . .
O13 O 0.29352(18) -0.13118(15) 0.58141(11) 0.0182(5) Uani 1 1 d . . . . .
O14 O 0.0034(2) -0.07547(18) 0.35711(13) 0.0332(7) Uani 1 1 d . . . . .
Mo1 Mo 0.60437(2) 0.16352(2) 0.54553(2) 0.01214(7) Uani 1 1 d . . . . .
Mo2 Mo 0.40212(2) 0.07167(2) 0.46113(2) 0.01047(7) Uani 1 1 d . . . . .
Mo3 Mo 0.36684(2) -0.04300(2) 0.57373(2) 0.01224(7) Uani 1 1 d . . . . .
Mo4 Mo 0.56978(2) 0.05050(2) 0.65923(2) 0.01313(7) Uani 1 1 d . . . . .
Ag1 Ag 0.35233(2) 0.20421(2) 0.60026(2) 0.02590(8) Uani 1 1 d . . . . .
P1 P 0.24527(7) 0.33124(6) 0.59180(4) 0.0168(2) Uani 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
C1 O14 1.222(5) . ?
C1 N1 1.330(5) . ?
C1 H1A 0.9500 . ?
C2 N1 1.455(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 N1 1.447(5) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.389(5) . ?
C4 C9 1.392(5) . ?
C4 P1 1.816(4) . ?
C5 C6 1.379(5) . ?
C5 H5A 0.9500 . ?
C6 C7 1.390(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.373(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.388(5) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.381(5) . ?
C10 C15 1.391(5) . ?
C10 H10A 0.9500 . ?
C11 C12 1.390(6) . ?
C11 H11A 0.9500 . ?
C12 C13 1.374(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.387(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.379(5) . ?
C14 H14A 0.9500 . ?
C15 P1 1.824(4) . ?
C16 C17 1.387(5) . ?
C16 C21 1.391(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.395(5) . ?
C17 P1 1.818(4) . ?
C18 C19 1.384(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.378(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.378(6) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 C23 1.507(5) . ?
C22 N2 1.523(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.513(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.503(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 N2 1.511(4) . ?
C26 C27 1.513(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.529(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.525(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 N2 1.512(4) . ?
C30 C31 1.519(5) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.504(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.518(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.508(5) . ?
C34 N2 1.525(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.523(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.530(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
O1 Mo4 1.723(2) . ?
O1 Ag1 2.309(2) . ?
O2 Mo3 1.722(2) . ?
O2 Ag1 2.395(2) . ?
O3 Mo2 1.698(2) . ?
O4 Mo1 1.710(2) . ?
O5 Mo4 1.691(2) . ?
O6 Mo1 1.902(2) . ?
O6 Mo4 1.918(2) . ?
O7 Mo1 1.694(2) . ?
O8 Mo2 1.952(2) . ?
O8 Mo1 2.008(2) . ?
O8 Mo3 2.267(2) 3_656 ?
O9 Mo2 2.133(2) . ?
O9 Mo2 2.318(2) 3_656 ?
O9 Mo1 2.346(2) . ?
O9 Mo3 2.350(2) . ?
O9 Mo4 2.401(2) . ?
O10 Mo3 1.895(2) . ?
O10 Mo4 1.925(2) . ?
O11 Mo2 1.749(2) . ?
O11 Mo4 2.262(2) 3_656 ?
O12 Mo2 1.951(2) . ?
O12 Mo3 2.004(2) . ?
O12 Mo1 2.321(2) 3_656 ?
O13 Mo3 1.693(2) . ?
Mo1 Mo2 3.2134(4) . ?
Ag1 P1 2.3709(9) . ?

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
O14 C1 N1 125.7(4) . . ?
O14 C1 H1A 117.2 . . ?
N1 C1 H1A 117.2 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 118.9(3) . . ?
C5 C4 P1 118.5(3) . . ?
C9 C4 P1 122.6(3) . . ?
C6 C5 C4 120.5(3) . . ?
C6 C5 H5A 119.8 . . ?
C4 C5 H5A 119.8 . . ?
C5 C6 C7 120.5(4) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 119.4(4) . . ?
C8 C7 H7A 120.3 . . ?
C6 C7 H7A 120.3 . . ?
C7 C8 C9 120.6(4) . . ?
C7 C8 H8A 119.7 . . ?
C9 C8 H8A 119.7 . . ?
C8 C9 C4 120.3(4) . . ?
C8 C9 H9A 119.9 . . ?
C4 C9 H9A 119.9 . . ?
C11 C10 C15 120.9(4) . . ?
C11 C10 H10A 119.6 . . ?
C15 C10 H10A 119.6 . . ?
C10 C11 C12 119.5(4) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C13 C12 C11 119.8(4) . . ?
C13 C12 H12A 120.1 . . ?
C11 C12 H12A 120.1 . . ?
C12 C13 C14 120.5(4) . . ?
C12 C13 H13A 119.8 . . ?
C14 C13 H13A 119.8 . . ?
C15 C14 C13 120.3(4) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C14 C15 C10 118.9(4) . . ?
C14 C15 P1 124.5(3) . . ?
C10 C15 P1 116.5(3) . . ?
C17 C16 C21 119.4(4) . . ?
C17 C16 H16A 120.3 . . ?
C21 C16 H16A 120.3 . . ?
C16 C17 C18 119.2(3) . . ?
C16 C17 P1 122.1(3) . . ?
C18 C17 P1 118.7(3) . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18A 119.9 . . ?
C17 C18 H18A 119.9 . . ?
C20 C19 C18 121.0(4) . . ?
C20 C19 H19A 119.5 . . ?
C18 C19 H19A 119.5 . . ?
C21 C20 C19 118.6(4) . . ?
C21 C20 H20A 120.7 . . ?
C19 C20 H20A 120.7 . . ?
C20 C21 C16 121.6(4) . . ?
C20 C21 H21A 119.2 . . ?
C16 C21 H21A 119.2 . . ?
C23 C22 N2 117.1(3) . . ?
C23 C22 H22A 108.0 . . ?
N2 C22 H22A 108.0 . . ?
C23 C22 H22B 108.0 . . ?
N2 C22 H22B 108.0 . . ?
H22A C22 H22B 107.3 . . ?
C22 C23 C24 109.9(3) . . ?
C22 C23 H23A 109.7 . . ?
C24 C23 H23A 109.7 . . ?
C22 C23 H23B 109.7 . . ?
C24 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C25 C24 C23 114.3(4) . . ?
C25 C24 H24A 108.7 . . ?
C23 C24 H24A 108.7 . . ?
C25 C24 H24B 108.7 . . ?
C23 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N2 C26 C27 116.6(3) . . ?
N2 C26 H26A 108.1 . . ?
C27 C26 H26A 108.1 . . ?
N2 C26 H26B 108.1 . . ?
C27 C26 H26B 108.1 . . ?
H26A C26 H26B 107.3 . . ?
C26 C27 C28 108.7(3) . . ?
C26 C27 H27A 110.0 . . ?
C28 C27 H27A 110.0 . . ?
C26 C27 H27B 110.0 . . ?
C28 C27 H27B 110.0 . . ?
H27A C27 H27B 108.3 . . ?
C29 C28 C27 112.2(3) . . ?
C29 C28 H28A 109.2 . . ?
C27 C28 H28A 109.2 . . ?
C29 C28 H28B 109.2 . . ?
C27 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N2 C30 C31 116.2(3) . . ?
N2 C30 H30A 108.2 . . ?
C31 C30 H30A 108.2 . . ?
N2 C30 H30B 108.2 . . ?
C31 C30 H30B 108.2 . . ?
H30A C30 H30B 107.4 . . ?
C32 C31 C30 111.1(3) . . ?
C32 C31 H31A 109.4 . . ?
C30 C31 H31A 109.4 . . ?
C32 C31 H31B 109.4 . . ?
C30 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C31 C32 C33 112.2(3) . . ?
C31 C32 H32A 109.2 . . ?
C33 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
C33 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 N2 116.0(3) . . ?
C35 C34 H34A 108.3 . . ?
N2 C34 H34A 108.3 . . ?
C35 C34 H34B 108.3 . . ?
N2 C34 H34B 108.3 . . ?
H34A C34 H34B 107.4 . . ?
C34 C35 C36 109.5(3) . . ?
C34 C35 H35A 109.8 . . ?
C36 C35 H35A 109.8 . . ?
C34 C35 H35B 109.8 . . ?
C36 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C35 C36 C37 112.9(3) . . ?
C35 C36 H36A 109.0 . . ?
C37 C36 H36A 109.0 . . ?
C35 C36 H36B 109.0 . . ?
C37 C36 H36B 109.0 . . ?
H36A C36 H36B 107.8 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C1 N1 C3 121.4(4) . . ?
C1 N1 C2 121.4(3) . . ?
C3 N1 C2 117.2(3) . . ?
C26 N2 C30 111.9(3) . . ?
C26 N2 C22 111.6(3) . . ?
C30 N2 C22 105.8(3) . . ?
C26 N2 C34 104.4(2) . . ?
C30 N2 C34 112.1(3) . . ?
C22 N2 C34 111.3(3) . . ?
Mo4 O1 Ag1 132.96(12) . . ?
Mo3 O2 Ag1 130.85(13) . . ?
Mo1 O6 Mo4 115.93(11) . . ?
Mo2 O8 Mo1 108.46(11) . . ?
Mo2 O8 Mo3 111.34(9) . 3_656 ?
Mo1 O8 Mo3 104.13(9) . 3_656 ?
Mo2 O9 Mo2 103.85(9) . 3_656 ?
Mo2 O9 Mo1 91.54(8) . . ?
Mo2 O9 Mo1 97.77(8) 3_656 . ?
Mo2 O9 Mo3 92.20(8) . . ?
Mo2 O9 Mo3 96.72(7) 3_656 . ?
Mo1 O9 Mo3 163.71(11) . . ?
Mo2 O9 Mo4 163.74(11) . . ?
Mo2 O9 Mo4 92.41(7) 3_656 . ?
Mo1 O9 Mo4 86.01(7) . . ?
Mo3 O9 Mo4 85.98(7) . . ?
Mo3 O10 Mo4 116.03(11) . . ?
Mo2 O11 Mo4 115.73(11) . 3_656 ?
Mo2 O12 Mo3 109.69(10) . . ?
Mo2 O12 Mo1 110.40(11) . 3_656 ?
Mo3 O12 Mo1 102.41(9) . 3_656 ?
O7 Mo1 O4 105.55(12) . . ?
O7 Mo1 O6 102.11(11) . . ?
O4 Mo1 O6 101.14(11) . . ?
O7 Mo1 O8 101.08(10) . . ?
O4 Mo1 O8 95.89(10) . . ?
O6 Mo1 O8 146.21(9) . . ?
O7 Mo1 O12 91.94(10) . 3_656 ?
O4 Mo1 O12 160.20(10) . 3_656 ?
O6 Mo1 O12 83.75(9) . 3_656 ?
O8 Mo1 O12 71.22(8) . 3_656 ?
O7 Mo1 O9 162.95(10) . . ?
O4 Mo1 O9 91.18(10) . . ?
O6 Mo1 O9 77.27(8) . . ?
O8 Mo1 O9 73.40(8) . . ?
O12 Mo1 O9 71.02(8) 3_656 . ?
O7 Mo1 Mo2 136.10(8) . . ?
O4 Mo1 Mo2 82.59(8) . . ?
O6 Mo1 Mo2 118.84(7) . . ?
O8 Mo1 Mo2 35.18(7) . . ?
O12 Mo1 Mo2 78.32(5) 3_656 . ?
O9 Mo1 Mo2 41.58(5) . . ?
O3 Mo2 O11 105.66(11) . . ?
O3 Mo2 O12 101.69(11) . . ?
O11 Mo2 O12 95.80(10) . . ?
O3 Mo2 O8 99.89(10) . . ?
O11 Mo2 O8 96.63(10) . . ?
O12 Mo2 O8 151.11(9) . . ?
O3 Mo2 O9 96.72(10) . . ?
O11 Mo2 O9 157.61(9) . . ?
O12 Mo2 O9 79.08(8) . . ?
O8 Mo2 O9 79.52(9) . . ?
O3 Mo2 O9 172.78(10) . 3_656 ?
O11 Mo2 O9 81.48(9) . 3_656 ?
O12 Mo2 O9 78.31(9) . 3_656 ?
O8 Mo2 O9 77.89(8) . 3_656 ?
O9 Mo2 O9 76.15(9) . 3_656 ?
O3 Mo2 Mo1 87.68(8) . . ?
O11 Mo2 Mo1 132.99(8) . . ?
O12 Mo2 Mo1 125.95(6) . . ?
O8 Mo2 Mo1 36.36(7) . . ?
O9 Mo2 Mo1 46.88(6) . . ?
O9 Mo2 Mo1 86.55(5) 3_656 . ?
O13 Mo3 O2 105.39(12) . . ?
O13 Mo3 O10 102.77(10) . . ?
O2 Mo3 O10 100.30(11) . . ?
O13 Mo3 O12 101.13(10) . . ?
O2 Mo3 O12 96.07(10) . . ?
O10 Mo3 O12 146.13(10) . . ?
O13 Mo3 O8 91.19(10) . 3_656 ?
O2 Mo3 O8 161.59(10) . 3_656 ?
O10 Mo3 O8 83.36(9) . 3_656 ?
O12 Mo3 O8 72.47(8) . 3_656 ?
O13 Mo3 O9 162.67(10) . . ?
O2 Mo3 O9 91.57(10) . . ?
O10 Mo3 O9 77.09(9) . . ?
O12 Mo3 O9 73.00(8) . . ?
O8 Mo3 O9 71.52(8) 3_656 . ?
O5 Mo4 O1 105.64(12) . . ?
O5 Mo4 O6 100.83(11) . . ?
O1 Mo4 O6 98.07(11) . . ?
O5 Mo4 O10 102.48(11) . . ?
O1 Mo4 O10 97.74(11) . . ?
O6 Mo4 O10 147.03(10) . . ?
O5 Mo4 O11 92.65(10) . 3_656 ?
O1 Mo4 O11 161.71(10) . 3_656 ?
O6 Mo4 O11 78.31(9) . 3_656 ?
O10 Mo4 O11 77.63(9) . 3_656 ?
O5 Mo4 O9 163.01(10) . . ?
O1 Mo4 O9 91.34(9) . . ?
O6 Mo4 O9 75.60(8) . . ?
O10 Mo4 O9 75.28(8) . . ?
O11 Mo4 O9 70.38(8) 3_656 . ?
O1 Ag1 P1 141.12(6) . . ?
O1 Ag1 O2 79.98(8) . . ?
P1 Ag1 O2 127.20(6) . . ?
C4 P1 C17 105.66(16) . . ?
C4 P1 C15 103.44(16) . . ?
C17 P1 C15 104.18(17) . . ?
C4 P1 Ag1 110.61(12) . . ?
C17 P1 Ag1 116.26(11) . . ?
C15 P1 Ag1 115.46(12) . . ?

_refine_diff_density_max         0.704
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.132

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2



####################################################################### 
# 
# 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_8
_database_code_depnum_ccdc_archive 'CCDC 1959370'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H84 Ag2 Mo8 N6 O26'
_chemical_formula_weight         2072.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.7622(8)
_cell_length_b                   16.3030(7)
_cell_length_c                   23.5350(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6431.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9329
_cell_measurement_theta_min      2.4510
_cell_measurement_theta_max      28.9850

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.140
_exptl_crystal_F_000             4064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    2.178
_shelx_estimated_absorpt_T_min   0.561
_shelx_estimated_absorpt_T_max   0.938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.44347
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            32403
_diffrn_reflns_av_unetI/netI     0.0463
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.946
_diffrn_reflns_theta_max         29.528
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.881
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.881
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7926
_reflns_number_gt                6130
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0326P)²+9.3863P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7926
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0382
_refine_ls_wR_factor_ref         0.0913
_refine_ls_wR_factor_gt          0.0824
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.8851(3) 0.6969(3) 0.42201(19) 0.0292(10) Uani 1 1 d . . . . .
H1A H 0.939996 0.692178 0.406913 0.035 Uiso 1 1 calc R U . . .
H1B H 0.880636 0.750973 0.440909 0.035 Uiso 1 1 calc R U . . .
C2 C 0.8729(3) 0.6304(3) 0.4664(2) 0.0349(11) Uani 1 1 d . . . . .
H2A H 0.820215 0.638021 0.484721 0.042 Uiso 1 1 calc R U . . .
H2B H 0.872902 0.576111 0.447554 0.042 Uiso 1 1 calc R U . . .
C3 C 0.9372(4) 0.6322(3) 0.5112(2) 0.0471(15) Uani 1 1 d . . . . .
H3A H 0.934365 0.684672 0.532298 0.057 Uiso 1 1 calc R U . . .
H3B H 0.990159 0.628934 0.492752 0.057 Uiso 1 1 calc R U . . .
C4 C 0.9280(4) 0.5616(4) 0.5524(2) 0.0521(16) Uani 1 1 d . . . . .
H4A H 0.970383 0.564175 0.580983 0.078 Uiso 1 1 calc R U . . .
H4B H 0.875919 0.565284 0.571151 0.078 Uiso 1 1 calc R U . . .
H4C H 0.931653 0.509607 0.531647 0.078 Uiso 1 1 calc R U . . .
C5 C 0.8246(3) 0.6105(3) 0.34464(19) 0.0265(10) Uani 1 1 d . . . . .
H5A H 0.803116 0.570990 0.372664 0.032 Uiso 1 1 calc R U . . .
H5B H 0.786662 0.612650 0.312452 0.032 Uiso 1 1 calc R U . . .
C6 C 0.9028(3) 0.5778(3) 0.3229(2) 0.0289(10) Uani 1 1 d . . . . .
H6A H 0.942620 0.577115 0.354035 0.035 Uiso 1 1 calc R U . . .
H6B H 0.923239 0.613591 0.292216 0.035 Uiso 1 1 calc R U . . .
C7 C 0.8902(3) 0.4918(3) 0.3006(2) 0.0329(11) Uani 1 1 d . . . . .
H7A H 0.849690 0.493090 0.270018 0.039 Uiso 1 1 calc R U . . .
H7B H 0.869560 0.456671 0.331591 0.039 Uiso 1 1 calc R U . . .
C8 C 0.9674(3) 0.4547(3) 0.2774(2) 0.0379(12) Uani 1 1 d . . . . .
H8A H 0.956834 0.399184 0.263407 0.057 Uiso 1 1 calc R U . . .
H8B H 0.987454 0.488808 0.246268 0.057 Uiso 1 1 calc R U . . .
H8C H 1.007315 0.452406 0.307812 0.057 Uiso 1 1 calc R U . . .
C9 C 0.8564(3) 0.7595(3) 0.33095(19) 0.0275(10) Uani 1 1 d . . . . .
H9A H 0.910815 0.744039 0.318589 0.033 Uiso 1 1 calc R U . . .
H9B H 0.860736 0.812182 0.351615 0.033 Uiso 1 1 calc R U . . .
C10 C 0.8061(3) 0.7736(3) 0.27826(18) 0.0272(10) Uani 1 1 d . . . . .
H10A H 0.752970 0.795248 0.288933 0.033 Uiso 1 1 calc R U . . .
H10B H 0.798584 0.721483 0.257347 0.033 Uiso 1 1 calc R U . . .
C11 C 0.8504(3) 0.8355(3) 0.24132(19) 0.0303(10) Uani 1 1 d . . . . .
H11A H 0.862722 0.884781 0.264333 0.036 Uiso 1 1 calc R U . . .
H11B H 0.901629 0.811247 0.228851 0.036 Uiso 1 1 calc R U . . .
C12 C 0.8032(3) 0.8611(3) 0.1896(2) 0.0406(13) Uani 1 1 d . . . . .
H12A H 0.834133 0.900752 0.167425 0.061 Uiso 1 1 calc R U . . .
H12B H 0.791786 0.812792 0.166201 0.061 Uiso 1 1 calc R U . . .
H12C H 0.752869 0.886343 0.201692 0.061 Uiso 1 1 calc R U . . .
C13 C 0.7424(3) 0.7127(3) 0.39181(19) 0.0270(10) Uani 1 1 d . . . . .
H13A H 0.706200 0.704953 0.358998 0.032 Uiso 1 1 calc R U . . .
H13B H 0.727597 0.671463 0.420846 0.032 Uiso 1 1 calc R U . . .
C14 C 0.7275(3) 0.7974(3) 0.4164(2) 0.0367(12) Uani 1 1 d . . . . .
H14A H 0.742053 0.839841 0.388185 0.044 Uiso 1 1 calc R U . . .
H14B H 0.760945 0.805512 0.450650 0.044 Uiso 1 1 calc R U . . .
C15 C 0.6393(3) 0.8055(3) 0.4321(2) 0.0363(12) Uani 1 1 d . . . . .
H15A H 0.629515 0.861685 0.446384 0.044 Uiso 1 1 calc R U . . .
H15B H 0.627219 0.766766 0.463334 0.044 Uiso 1 1 calc R U . . .
C16 C 0.5824(3) 0.7885(3) 0.3826(2) 0.0368(12) Uani 1 1 d . . . . .
H16A H 0.527191 0.794753 0.395583 0.055 Uiso 1 1 calc R U . . .
H16B H 0.592963 0.827485 0.351820 0.055 Uiso 1 1 calc R U . . .
H16C H 0.590665 0.732458 0.368789 0.055 Uiso 1 1 calc R U . . .
C17 C 0.6656(3) 0.8208(3) 0.64130(18) 0.0260(10) Uani 1 1 d . . . . .
C18 C 0.6803(3) 0.8989(3) 0.6653(2) 0.0317(11) Uani 1 1 d . . . . .
H18A H 0.708776 0.939333 0.644444 0.038 Uiso 1 1 calc R U . . .
C19 C 0.6535(3) 0.9153(3) 0.7182(2) 0.0352(12) Uani 1 1 d . . . . .
H19A H 0.665119 0.966637 0.735486 0.042 Uiso 1 1 calc R U . . .
C20 C 0.6084(3) 0.8567(3) 0.7476(2) 0.0362(12) Uani 1 1 d . . . . .
H20A H 0.586932 0.867886 0.784155 0.043 Uiso 1 1 calc R U . . .
C21 C 0.5967(3) 0.7832(3) 0.72161(19) 0.0296(10) Uani 1 1 d . . . . .
H21A H 0.566503 0.742865 0.741308 0.035 Uiso 1 1 calc R U . . .
N1 N 0.6250(2) 0.7637(2) 0.66982(15) 0.0269(8) Uani 1 1 d . . . . .
N2 N 0.8271(2) 0.6950(2) 0.37233(14) 0.0234(8) Uani 1 1 d . . . . .
N3 N 0.6931(3) 0.8017(3) 0.58886(16) 0.0448(12) Uani 1 1 d . . . . .
H3C H 0.684011 0.752798 0.574482 0.054 Uiso 1 1 calc R U . . .
H3D H 0.720024 0.838298 0.569138 0.054 Uiso 1 1 calc R U . . .
O1 O 0.74765(19) 0.48923(18) 0.46831(13) 0.0273(7) Uani 1 1 d . . . . .
O2 O 0.69760(18) 0.58888(17) 0.55326(12) 0.0252(7) Uani 1 1 d . . . . .
O3 O 0.59986(17) 0.57415(16) 0.45927(11) 0.0175(6) Uani 1 1 d . . . . .
O4 O 0.45874(17) 0.65900(16) 0.44462(11) 0.0204(6) Uani 1 1 d . . . . .
O5 O 0.54218(16) 0.50507(15) 0.54939(11) 0.0164(6) Uani 1 1 d . . . . .
O6 O 0.54187(17) 0.68286(16) 0.54306(11) 0.0209(6) Uani 1 1 d . . . . .
O7 O 0.63224(19) 0.49912(18) 0.65950(12) 0.0264(7) Uani 1 1 d . . . . .
O8 O 0.6270(2) 0.33361(19) 0.66280(13) 0.0315(7) Uani 1 1 d . . . . .
O9 O 0.47495(17) 0.59521(17) 0.64648(11) 0.0212(6) Uani 1 1 d . . . . .
O10 O 0.48718(18) 0.42572(17) 0.64175(11) 0.0221(6) Uani 1 1 d . . . . .
O11 O 0.33987(19) 0.50545(18) 0.64136(13) 0.0272(7) Uani 1 1 d . . . . .
O12 O 0.40594(16) 0.58167(15) 0.54137(11) 0.0175(6) Uani 1 1 d . . . . .
O13 O 0.67638(17) 0.41864(17) 0.56329(11) 0.0220(6) Uani 1 1 d . . . . .
Mo1 Mo 0.66945(2) 0.50742(2) 0.51172(2) 0.01807(9) Uani 1 1 d . . . . .
Mo2 Mo 0.50468(2) 0.60770(2) 0.50119(2) 0.01543(9) Uani 1 1 d . . . . .
Mo3 Mo 0.43077(2) 0.51553(2) 0.61092(2) 0.01762(9) Uani 1 1 d . . . . .
Mo4 Mo 0.59794(2) 0.41444(2) 0.62338(2) 0.02066(9) Uani 1 1 d . . . . .
Ag1 Ag 0.61567(2) 0.63648(2) 0.63936(2) 0.03156(10) Uani 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
C1 C2 1.519(6) . ?
C1 N2 1.520(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.509(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.512(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.504(6) . ?
C5 N2 1.524(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.512(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.528(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N2 1.515(5) . ?
C9 C10 1.517(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.526(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.511(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.518(6) . ?
C13 N2 1.521(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.529(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.530(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 N1 1.334(5) . ?
C17 N3 1.354(5) . ?
C17 C18 1.414(6) . ?
C18 C19 1.351(6) . ?
C18 H18A 0.9500 . ?
C19 C20 1.401(7) . ?
C19 H19A 0.9500 . ?
C20 C21 1.361(6) . ?
C20 H20A 0.9500 . ?
C21 N1 1.346(5) . ?
C21 H21A 0.9500 . ?
N1 Ag1 2.201(4) . ?
N3 H3C 0.8800 . ?
N3 H3D 0.8800 . ?
O1 Mo1 1.688(3) . ?
O2 Mo1 1.715(3) . ?
O2 Ag1 2.568(3) . ?
O3 Mo2 1.954(3) . ?
O3 Mo1 2.017(3) . ?
O3 Mo3 2.265(3) 5_666 ?
O4 Mo2 1.751(3) . ?
O4 Mo4 2.213(3) 5_666 ?
O5 Mo2 2.117(3) . ?
O5 Mo1 2.311(3) . ?
O5 Mo2 2.327(3) 5_666 ?
O5 Mo3 2.369(3) . ?
O5 Mo4 2.468(3) . ?
O6 Mo2 1.691(3) . ?
O7 Mo4 1.720(3) . ?
O7 Ag1 2.306(3) . ?
O8 Mo4 1.684(3) . ?
O9 Mo3 1.714(3) . ?
O9 Ag1 2.459(3) . ?
O10 Mo3 1.888(3) . ?
O10 Mo4 1.915(3) . ?
O11 Mo3 1.692(3) . ?
O12 Mo2 1.953(3) . ?
O12 Mo3 2.004(3) . ?
O12 Mo1 2.295(3) 5_666 ?
O13 Mo1 1.893(3) . ?
O13 Mo4 1.932(3) . ?
Mo1 Mo2 3.2190(5) . ?

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
C2 C1 N2 115.3(4) . . ?
C2 C1 H1A 108.4 . . ?
N2 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
N2 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
C3 C2 C1 111.8(4) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 107.9 . . ?
C2 C3 C4 111.1(4) . . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
C2 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 N2 116.2(4) . . ?
C6 C5 H5A 108.2 . . ?
N2 C5 H5A 108.2 . . ?
C6 C5 H5B 108.2 . . ?
N2 C5 H5B 108.2 . . ?
H5A C5 H5B 107.4 . . ?
C5 C6 C7 108.9(4) . . ?
C5 C6 H6A 109.9 . . ?
C7 C6 H6A 109.9 . . ?
C5 C6 H6B 109.9 . . ?
C7 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
C6 C7 C8 111.9(4) . . ?
C6 C7 H7A 109.2 . . ?
C8 C7 H7A 109.2 . . ?
C6 C7 H7B 109.2 . . ?
C8 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C10 116.8(4) . . ?
N2 C9 H9A 108.1 . . ?
C10 C9 H9A 108.1 . . ?
N2 C9 H9B 108.1 . . ?
C10 C9 H9B 108.1 . . ?
H9A C9 H9B 107.3 . . ?
C9 C10 C11 107.2(4) . . ?
C9 C10 H10A 110.3 . . ?
C11 C10 H10A 110.3 . . ?
C9 C10 H10B 110.3 . . ?
C11 C10 H10B 110.3 . . ?
H10A C10 H10B 108.5 . . ?
C12 C11 C10 112.7(4) . . ?
C12 C11 H11A 109.0 . . ?
C10 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N2 116.2(4) . . ?
C14 C13 H13A 108.2 . . ?
N2 C13 H13A 108.2 . . ?
C14 C13 H13B 108.2 . . ?
N2 C13 H13B 108.2 . . ?
H13A C13 H13B 107.4 . . ?
C13 C14 C15 109.2(4) . . ?
C13 C14 H14A 109.8 . . ?
C15 C14 H14A 109.8 . . ?
C13 C14 H14B 109.8 . . ?
C15 C14 H14B 109.8 . . ?
H14A C14 H14B 108.3 . . ?
C14 C15 C16 113.8(4) . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
C16 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 N3 118.2(4) . . ?
N1 C17 C18 121.1(4) . . ?
N3 C17 C18 120.8(4) . . ?
C19 C18 C17 119.2(4) . . ?
C19 C18 H18A 120.4 . . ?
C17 C18 H18A 120.4 . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 H19A 120.0 . . ?
C20 C19 H19A 120.0 . . ?
C21 C20 C19 117.2(4) . . ?
C21 C20 H20A 121.4 . . ?
C19 C20 H20A 121.4 . . ?
N1 C21 C20 124.3(4) . . ?
N1 C21 H21A 117.8 . . ?
C20 C21 H21A 117.8 . . ?
C17 N1 C21 118.1(4) . . ?
C17 N1 Ag1 122.0(3) . . ?
C21 N1 Ag1 119.5(3) . . ?
C9 N2 C1 105.8(3) . . ?
C9 N2 C13 111.4(3) . . ?
C1 N2 C13 111.2(3) . . ?
C9 N2 C5 111.2(3) . . ?
C1 N2 C5 111.4(3) . . ?
C13 N2 C5 106.0(3) . . ?
C17 N3 H3C 120.0 . . ?
C17 N3 H3D 120.0 . . ?
H3C N3 H3D 120.0 . . ?
Mo1 O2 Ag1 122.46(14) . . ?
Mo2 O3 Mo1 108.31(12) . . ?
Mo2 O3 Mo3 111.34(13) . 5_666 ?
Mo1 O3 Mo3 103.25(11) . 5_666 ?
Mo2 O4 Mo4 118.71(13) . 5_666 ?
Mo2 O5 Mo1 93.18(10) . . ?
Mo2 O5 Mo2 104.49(11) . 5_666 ?
Mo1 O5 Mo2 97.39(10) . 5_666 ?
Mo2 O5 Mo3 92.10(10) . . ?
Mo1 O5 Mo3 163.96(13) . . ?
Mo2 O5 Mo3 95.93(10) 5_666 . ?
Mo2 O5 Mo4 164.55(13) . . ?
Mo1 O5 Mo4 86.04(9) . . ?
Mo2 O5 Mo4 90.91(9) 5_666 . ?
Mo3 O5 Mo4 84.85(9) . . ?
Mo4 O7 Ag1 129.61(16) . . ?
Mo3 O9 Ag1 126.07(14) . . ?
Mo3 O10 Mo4 118.25(14) . . ?
Mo2 O12 Mo3 109.66(13) . . ?
Mo2 O12 Mo1 109.91(12) . 5_666 ?
Mo3 O12 Mo1 102.62(11) . 5_666 ?
Mo1 O13 Mo4 117.05(14) . . ?
O1 Mo1 O2 105.51(14) . . ?
O1 Mo1 O13 101.90(14) . . ?
O2 Mo1 O13 102.10(13) . . ?
O1 Mo1 O3 99.99(13) . . ?
O2 Mo1 O3 95.18(12) . . ?
O13 Mo1 O3 147.19(12) . . ?
O1 Mo1 O12 89.25(12) . 5_666 ?
O2 Mo1 O12 162.12(12) . 5_666 ?
O13 Mo1 O12 84.20(11) . 5_666 ?
O3 Mo1 O12 71.93(10) . 5_666 ?
O1 Mo1 O5 161.12(12) . . ?
O2 Mo1 O5 92.75(12) . . ?
O13 Mo1 O5 78.34(11) . . ?
O3 Mo1 O5 73.13(10) . . ?
O12 Mo1 O5 71.94(9) 5_666 . ?
O1 Mo1 Mo2 135.14(11) . . ?
O2 Mo1 Mo2 83.49(10) . . ?
O13 Mo1 Mo2 119.36(9) . . ?
O3 Mo1 Mo2 35.19(8) . . ?
O12 Mo1 Mo2 78.88(7) 5_666 . ?
O5 Mo1 Mo2 41.04(6) . . ?
O6 Mo2 O4 105.01(13) . . ?
O6 Mo2 O12 100.82(12) . . ?
O4 Mo2 O12 95.69(12) . . ?
O6 Mo2 O3 101.31(12) . . ?
O4 Mo2 O3 96.25(12) . . ?
O12 Mo2 O3 151.13(11) . . ?
O6 Mo2 O5 98.69(12) . . ?
O4 Mo2 O5 156.30(12) . . ?
O12 Mo2 O5 79.66(11) . . ?
O3 Mo2 O5 78.87(10) . . ?
O6 Mo2 O5 174.18(11) . 5_666 ?
O4 Mo2 O5 80.79(11) . 5_666 ?
O12 Mo2 O5 77.87(10) . 5_666 ?
O3 Mo2 O5 78.24(10) . 5_666 ?
O5 Mo2 O5 75.51(11) . 5_666 ?
O6 Mo2 Mo1 90.40(10) . . ?
O4 Mo2 Mo1 132.73(9) . . ?
O12 Mo2 Mo1 125.42(8) . . ?
O3 Mo2 Mo1 36.50(8) . . ?
O5 Mo2 Mo1 45.78(7) . . ?
O5 Mo2 Mo1 85.86(7) 5_666 . ?
O11 Mo3 O9 104.83(14) . . ?
O11 Mo3 O10 102.30(14) . . ?
O9 Mo3 O10 100.59(13) . . ?
O11 Mo3 O12 102.19(13) . . ?
O9 Mo3 O12 94.63(12) . . ?
O10 Mo3 O12 146.65(11) . . ?
O11 Mo3 O3 92.41(12) . 5_666 ?
O9 Mo3 O3 160.65(12) . 5_666 ?
O10 Mo3 O3 83.87(11) . 5_666 ?
O12 Mo3 O3 72.82(10) . 5_666 ?
O11 Mo3 O5 164.11(12) . . ?
O9 Mo3 O5 90.71(12) . . ?
O10 Mo3 O5 77.55(11) . . ?
O12 Mo3 O5 72.73(10) . . ?
O3 Mo3 O5 71.73(9) 5_666 . ?
O8 Mo4 O7 105.03(15) . . ?
O8 Mo4 O10 103.36(14) . . ?
O7 Mo4 O10 97.78(14) . . ?
O8 Mo4 O13 103.55(14) . . ?
O7 Mo4 O13 96.07(13) . . ?
O10 Mo4 O13 145.23(12) . . ?
O8 Mo4 O4 95.69(13) . 5_666 ?
O7 Mo4 O4 159.23(12) . 5_666 ?
O10 Mo4 O4 78.40(11) . 5_666 ?
O13 Mo4 O4 77.41(11) . 5_666 ?
O8 Mo4 O5 165.26(13) . . ?
O7 Mo4 O5 89.70(12) . . ?
O10 Mo4 O5 74.61(10) . . ?
O13 Mo4 O5 73.74(10) . . ?
O4 Mo4 O5 69.57(9) 5_666 . ?
N1 Ag1 O7 147.15(12) . . ?
N1 Ag1 O9 107.70(12) . . ?
O7 Ag1 O9 80.55(10) . . ?
N1 Ag1 O2 120.26(11) . . ?
O7 Ag1 O2 78.71(10) . . ?
O9 Ag1 O2 118.96(9) . . ?

_refine_diff_density_max         1.053
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.174

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2

####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1959367'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H94 Ag2 Cl2 Mo8 N6 O28'
_chemical_formula_weight         2257.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   13.8548(7)
_cell_length_b                   19.3512(6)
_cell_length_c                   15.1241(8)
_cell_angle_alpha                90
_cell_angle_beta                 117.004(7)
_cell_angle_gamma                90
_cell_volume                     3612.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    6358
_cell_measurement_theta_min      4.0220
_cell_measurement_theta_max      29.0970

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_F_000             2224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.021
_shelx_estimated_absorpt_T_min   0.622
_shelx_estimated_absorpt_T_max   0.924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.83788
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            20290
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.422
_diffrn_reflns_theta_max         29.499
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.832
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.832
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             8361
_reflns_number_gt                6888
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0359P)²+6.7210P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8361
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.0864
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.2654(4) 0.3291(2) 0.1116(4) 0.0318(11) Uani 1 1 d . . . . .
H1A H 0.330979 0.331613 0.171621 0.038 Uiso 1 1 calc R U . . .
C2 C 0.2640(5) 0.2910(2) 0.0337(4) 0.0388(12) Uani 1 1 d . . . . .
H2A H 0.327019 0.267104 0.040781 0.047 Uiso 1 1 calc R U . . .
C3 C 0.1698(4) 0.2879(2) -0.0546(4) 0.0342(11) Uani 1 1 d . . . . .
H3A H 0.165879 0.261732 -0.109278 0.041 Uiso 1 1 calc R U . . .
C4 C 0.0825(4) 0.3240(2) -0.0603(3) 0.0260(10) Uani 1 1 d . . . . .
C5 C 0.0896(4) 0.3609(2) 0.0215(3) 0.0255(10) Uani 1 1 d . . . . .
H5A H 0.028119 0.385831 0.016264 0.031 Uiso 1 1 calc R U . . .
C6 C -0.0553(4) 0.3918(3) 0.2220(4) 0.0407(13) Uani 1 1 d . . . . .
H6A H -0.069396 0.344834 0.230119 0.049 Uiso 1 1 calc R U . . .
C7 C -0.0440(5) 0.5105(3) 0.2778(5) 0.0494(15) Uani 1 1 d . . . . .
H7A H -0.060530 0.535736 0.325469 0.074 Uiso 1 1 calc R U . . .
H7B H 0.033125 0.515440 0.296023 0.074 Uiso 1 1 calc R U . . .
H7C H -0.087380 0.529258 0.211114 0.074 Uiso 1 1 calc R U . . .
C8 C -0.0924(5) 0.4158(3) 0.3596(5) 0.0516(15) Uani 1 1 d . . . . .
H8A H -0.100730 0.456618 0.393859 0.077 Uiso 1 1 calc R U . . .
H8B H -0.159381 0.388662 0.332793 0.077 Uiso 1 1 calc R U . . .
H8C H -0.032287 0.387484 0.406477 0.077 Uiso 1 1 calc R U . . .
C9 C 0.2634(3) 0.7415(2) 0.5366(3) 0.0173(8) Uani 1 1 d . . . . .
H9A H 0.283439 0.691985 0.544528 0.021 Uiso 1 1 calc R U . . .
H9B H 0.277814 0.760049 0.482698 0.021 Uiso 1 1 calc R U . . .
C10 C 0.1423(3) 0.7473(2) 0.5047(3) 0.0221(9) Uani 1 1 d . . . . .
H10A H 0.128114 0.736784 0.561755 0.027 Uiso 1 1 calc R U . . .
H10B H 0.117863 0.795147 0.482740 0.027 Uiso 1 1 calc R U . . .
C11 C 0.0794(4) 0.6973(2) 0.4203(3) 0.0263(10) Uani 1 1 d . . . . .
H11A H 0.099047 0.705575 0.365927 0.032 Uiso 1 1 calc R U . . .
H11B H 0.100985 0.649446 0.444335 0.032 Uiso 1 1 calc R U . . .
C12 C -0.0425(4) 0.7040(3) 0.3796(4) 0.0348(12) Uani 1 1 d . . . . .
H12A H -0.078541 0.670679 0.325743 0.052 Uiso 1 1 calc R U . . .
H12B H -0.062887 0.694805 0.432655 0.052 Uiso 1 1 calc R U . . .
H12C H -0.064826 0.750969 0.354197 0.052 Uiso 1 1 calc R U . . .
C13 C 0.4500(3) 0.7786(2) 0.6404(3) 0.0183(8) Uani 1 1 d . . . . .
H13A H 0.471882 0.730110 0.638546 0.022 Uiso 1 1 calc R U . . .
H13B H 0.448065 0.802508 0.581746 0.022 Uiso 1 1 calc R U . . .
O13 O 0.4084(2) 0.44963(13) 0.27180(19) 0.0161(6) Uani 1 1 d . . . . .
C14 C 0.5352(3) 0.8127(2) 0.7332(3) 0.0206(9) Uani 1 1 d . . . . .
H14A H 0.544282 0.785572 0.791996 0.025 Uiso 1 1 calc R U . . .
H14B H 0.510313 0.859562 0.739460 0.025 Uiso 1 1 calc R U . . .
O14 O 0.3501(2) 0.33586(13) 0.3724(2) 0.0189(6) Uani 1 1 d . . . . .
C15 C 0.6442(4) 0.8181(2) 0.7313(3) 0.0228(9) Uani 1 1 d . . . . .
H15A H 0.699707 0.833013 0.797539 0.027 Uiso 1 1 calc R U . . .
H15B H 0.664981 0.771630 0.718321 0.027 Uiso 1 1 calc R U . . .
C16 C 0.6445(5) 0.8677(3) 0.6543(4) 0.0450(14) Uani 1 1 d . . . . .
H16A H 0.716683 0.868443 0.657367 0.067 Uiso 1 1 calc R U . . .
H16B H 0.591139 0.852663 0.588152 0.067 Uiso 1 1 calc R U . . .
H16C H 0.625910 0.914126 0.667473 0.067 Uiso 1 1 calc R U . . .
C17 C 0.3345(3) 0.7425(2) 0.7208(3) 0.0175(8) Uani 1 1 d . . . . .
H17A H 0.376329 0.770643 0.780801 0.021 Uiso 1 1 calc R U . . .
H17B H 0.258633 0.740917 0.710353 0.021 Uiso 1 1 calc R U . . .
C18 C 0.3794(4) 0.6696(2) 0.7405(3) 0.0229(9) Uani 1 1 d . . . . .
H18A H 0.336940 0.640372 0.681825 0.028 Uiso 1 1 calc R U . . .
H18B H 0.455407 0.670280 0.751236 0.028 Uiso 1 1 calc R U . . .
C19 C 0.3750(4) 0.6390(2) 0.8306(3) 0.0242(9) Uani 1 1 d . . . . .
H19A H 0.413973 0.669786 0.888262 0.029 Uiso 1 1 calc R U . . .
H19B H 0.298503 0.636333 0.818258 0.029 Uiso 1 1 calc R U . . .
C20 C 0.4246(5) 0.5677(3) 0.8553(4) 0.0427(14) Uani 1 1 d . . . . .
H20A H 0.419889 0.549944 0.913910 0.064 Uiso 1 1 calc R U . . .
H20B H 0.385282 0.536674 0.798965 0.064 Uiso 1 1 calc R U . . .
H20C H 0.500747 0.570126 0.868966 0.064 Uiso 1 1 calc R U . . .
C21 C 0.2978(3) 0.85246(19) 0.6324(3) 0.0177(8) Uani 1 1 d . . . . .
H21A H 0.222409 0.850831 0.623221 0.021 Uiso 1 1 calc R U . . .
H21B H 0.343206 0.873283 0.698166 0.021 Uiso 1 1 calc R U . . .
C22 C 0.3013(4) 0.8990(2) 0.5530(3) 0.0219(9) Uani 1 1 d . . . . .
H22A H 0.377739 0.907837 0.568334 0.026 Uiso 1 1 calc R U . . .
H22B H 0.265800 0.875398 0.487914 0.026 Uiso 1 1 calc R U . . .
C23 C 0.2449(4) 0.9672(2) 0.5469(3) 0.0238(9) Uani 1 1 d . . . . .
H23A H 0.275598 0.988839 0.613411 0.029 Uiso 1 1 calc R U . . .
H23B H 0.166797 0.958934 0.524791 0.029 Uiso 1 1 calc R U . . .
C24 C 0.2589(4) 1.0158(2) 0.4745(4) 0.0295(10) Uani 1 1 d . . . . .
H24A H 0.221917 1.059561 0.471473 0.044 Uiso 1 1 calc R U . . .
H24B H 0.336167 1.024489 0.496923 0.044 Uiso 1 1 calc R U . . .
H24C H 0.227531 0.994630 0.408437 0.044 Uiso 1 1 calc R U . . .
N1 N 0.1795(3) 0.36218(18) 0.1061(3) 0.0231(8) Uani 1 1 d . . . . .
N2 N -0.0698(3) 0.4375(2) 0.2791(3) 0.0339(9) Uani 1 1 d . . . . .
N3 N 0.3364(3) 0.77884(16) 0.6322(2) 0.0156(7) Uani 1 1 d . . . . .
O1 O 0.2258(2) 0.53443(14) 0.2765(2) 0.0184(6) Uani 1 1 d . . . . .
O2 O 0.1677(2) 0.41725(14) 0.3849(2) 0.0201(6) Uani 1 1 d . . . . .
O3 O 0.1715(2) 0.44288(15) 0.5625(2) 0.0236(7) Uani 1 1 d . . . . .
O4 O 0.2359(2) 0.54621(13) 0.4643(2) 0.0165(6) Uani 1 1 d . . . . .
O5 O 0.3449(2) 0.37284(13) 0.5486(2) 0.0163(6) Uani 1 1 d . . . . .
O6 O 0.2711(2) 0.65914(13) 0.3651(2) 0.0189(6) Uani 1 1 d . . . . .
O7 O 0.3973(2) 0.47404(12) 0.45718(19) 0.0121(5) Uani 1 1 d . . . . .
O8 O 0.4416(2) 0.57722(12) 0.37264(19) 0.0136(5) Uani 1 1 d . . . . .
O9 O 0.6119(2) 0.50414(13) 0.3691(2) 0.0159(6) Uani 1 1 d . . . . .
O10 O 0.5538(2) 0.39867(12) 0.45966(19) 0.0141(5) Uani 1 1 d . . . . .
O11 O 0.5015(2) 0.28411(13) 0.5469(2) 0.0197(6) Uani 1 1 d . . . . .
O12 O -0.0245(3) 0.4049(2) 0.1577(3) 0.0486(10) Uani 1 1 d . . . . .
Mo1 Mo 0.24732(3) 0.44984(2) 0.50146(3) 0.01537(8) Uani 1 1 d . . . . .
Mo2 Mo 0.30448(3) 0.57427(2) 0.38725(2) 0.01267(8) Uani 1 1 d . . . . .
Mo3 Mo 0.49632(3) 0.48318(2) 0.38272(2) 0.01163(8) Uani 1 1 d . . . . .
Mo4 Mo 0.43933(3) 0.35914(2) 0.49111(2) 0.01321(8) Uani 1 1 d . . . . .
Ag1 Ag 0.18892(3) 0.41413(2) 0.24100(3) 0.02915(9) Uani 1 1 d . . . . .
Cl1 Cl -0.03810(11) 0.32692(8) -0.16944(9) 0.0414(3) Uani 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
C1 N1 1.321(6) . ?
C1 C2 1.383(7) . ?
C1 H1A 0.9500 . ?
C2 C3 1.381(7) . ?
C2 H2A 0.9500 . ?
C3 C4 1.365(7) . ?
C3 H3A 0.9500 . ?
C4 C5 1.393(6) . ?
C4 Cl1 1.736(5) . ?
C5 N1 1.319(6) . ?
C5 H5A 0.9500 . ?
C6 O12 1.253(6) . ?
C6 N2 1.313(6) . ?
C6 H6A 0.9500 . ?
C7 N2 1.459(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 N2 1.450(7) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N3 1.519(5) . ?
C9 C10 1.525(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.521(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.518(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.515(6) . ?
C13 N3 1.522(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
O13 Mo3 1.692(3) . ?
C14 C15 1.527(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
O14 Mo4 1.714(3) . ?
C15 C16 1.511(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.514(6) . ?
C17 N3 1.523(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.513(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.511(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.520(5) . ?
C21 N3 1.522(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.515(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.520(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
N1 Ag1 2.225(4) . ?
O1 Mo2 1.712(3) . ?
O1 Ag1 2.392(3) . ?
O2 Mo1 1.720(3) . ?
O2 Ag1 2.325(3) . ?
O3 Mo1 1.689(3) . ?
O4 Mo2 1.888(3) . ?
O4 Mo1 1.933(3) . ?
O5 Mo4 1.890(3) . ?
O5 Mo1 1.918(3) . ?
O6 Mo2 1.698(3) . ?
O7 Mo3 2.141(2) . ?
O7 Mo4 2.296(2) . ?
O7 Mo2 2.302(2) . ?
O7 Mo3 2.341(3) 3_666 ?
O7 Mo1 2.501(2) . ?
O8 Mo3 1.950(2) . ?
O8 Mo2 2.011(3) . ?
O8 Mo4 2.323(3) 3_666 ?
O9 Mo3 1.753(3) . ?
O9 Mo1 2.227(3) 3_666 ?
O10 Mo3 1.955(3) . ?
O10 Mo4 2.002(3) . ?
O10 Mo2 2.316(3) 3_666 ?
O11 Mo4 1.703(3) . ?
Mo2 Mo3 3.2159(5) . ?
Mo3 Mo4 3.2011(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.7(5) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C3 C2 C1 119.2(5) . . ?
C3 C2 H2A 120.4 . . ?
C1 C2 H2A 120.4 . . ?
C4 C3 C2 117.4(4) . . ?
C4 C3 H3A 121.3 . . ?
C2 C3 H3A 121.3 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 Cl1 121.3(4) . . ?
C5 C4 Cl1 118.5(4) . . ?
N1 C5 C4 121.7(4) . . ?
N1 C5 H5A 119.2 . . ?
C4 C5 H5A 119.2 . . ?
O12 C6 N2 125.6(6) . . ?
O12 C6 H6A 117.2 . . ?
N2 C6 H6A 117.2 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 C10 115.3(3) . . ?
N3 C9 H9A 108.4 . . ?
C10 C9 H9A 108.4 . . ?
N3 C9 H9B 108.4 . . ?
C10 C9 H9B 108.4 . . ?
H9A C9 H9B 107.5 . . ?
C11 C10 C9 110.4(3) . . ?
C11 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C12 C11 C10 113.2(4) . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N3 114.5(3) . . ?
C14 C13 H13A 108.6 . . ?
N3 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
N3 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 C15 111.9(3) . . ?
C13 C14 H14A 109.2 . . ?
C15 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
C15 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 C14 114.0(4) . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 N3 115.7(3) . . ?
C18 C17 H17A 108.4 . . ?
N3 C17 H17A 108.4 . . ?
C18 C17 H17B 108.4 . . ?
N3 C17 H17B 108.4 . . ?
H17A C17 H17B 107.4 . . ?
C19 C18 C17 111.2(3) . . ?
C19 C18 H18A 109.4 . . ?
C17 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C20 C19 C18 112.4(4) . . ?
C20 C19 H19A 109.1 . . ?
C18 C19 H19A 109.1 . . ?
C20 C19 H19B 109.1 . . ?
C18 C19 H19B 109.1 . . ?
H19A C19 H19B 107.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 N3 114.6(3) . . ?
C22 C21 H21A 108.6 . . ?
N3 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
N3 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C23 C22 C21 111.3(3) . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C21 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 110.6(4) . . ?
C22 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C5 N1 C1 118.7(4) . . ?
C5 N1 Ag1 122.3(3) . . ?
C1 N1 Ag1 119.0(3) . . ?
C6 N2 C8 120.9(5) . . ?
C6 N2 C7 122.1(5) . . ?
C8 N2 C7 116.0(5) . . ?
C9 N3 C13 107.0(3) . . ?
C9 N3 C21 111.3(3) . . ?
C13 N3 C21 110.7(3) . . ?
C9 N3 C17 110.3(3) . . ?
C13 N3 C17 110.9(3) . . ?
C21 N3 C17 106.6(3) . . ?
Mo2 O1 Ag1 129.37(14) . . ?
Mo1 O2 Ag1 132.40(15) . . ?
Mo2 O4 Mo1 117.31(13) . . ?
Mo4 O5 Mo1 117.14(13) . . ?
Mo3 O7 Mo4 92.28(9) . . ?
Mo3 O7 Mo2 92.67(9) . . ?
Mo4 O7 Mo2 161.86(13) . . ?
Mo3 O7 Mo3 105.21(10) . 3_666 ?
Mo4 O7 Mo3 97.74(9) . 3_666 ?
Mo2 O7 Mo3 97.77(9) . 3_666 ?
Mo3 O7 Mo1 164.88(13) . . ?
Mo4 O7 Mo1 85.18(8) . . ?
Mo2 O7 Mo1 85.51(8) . . ?
Mo3 O7 Mo1 89.91(8) 3_666 . ?
Mo3 O8 Mo2 108.52(12) . . ?
Mo3 O8 Mo4 109.34(12) . 3_666 ?
Mo2 O8 Mo4 104.08(10) . 3_666 ?
Mo3 O9 Mo1 118.11(13) . 3_666 ?
Mo3 O10 Mo4 107.99(12) . . ?
Mo3 O10 Mo2 109.70(11) . 3_666 ?
Mo4 O10 Mo2 104.62(11) . 3_666 ?
O3 Mo1 O2 105.21(14) . . ?
O3 Mo1 O5 104.07(13) . . ?
O2 Mo1 O5 96.42(12) . . ?
O3 Mo1 O4 104.25(12) . . ?
O2 Mo1 O4 97.25(12) . . ?
O5 Mo1 O4 143.93(11) . . ?
O3 Mo1 O9 93.73(12) . 3_666 ?
O2 Mo1 O9 161.06(12) . 3_666 ?
O5 Mo1 O9 78.24(11) . 3_666 ?
O4 Mo1 O9 78.07(11) . 3_666 ?
O3 Mo1 O7 163.74(12) . . ?
O2 Mo1 O7 91.05(11) . . ?
O5 Mo1 O7 73.38(10) . . ?
O4 Mo1 O7 73.15(9) . . ?
O9 Mo1 O7 70.01(9) 3_666 . ?
O6 Mo2 O1 104.31(13) . . ?
O6 Mo2 O4 103.36(12) . . ?
O1 Mo2 O4 101.48(12) . . ?
O6 Mo2 O8 97.91(12) . . ?
O1 Mo2 O8 96.86(12) . . ?
O4 Mo2 O8 147.33(11) . . ?
O6 Mo2 O7 161.98(12) . . ?
O1 Mo2 O7 92.58(11) . . ?
O4 Mo2 O7 78.88(10) . . ?
O8 Mo2 O7 73.47(9) . . ?
O6 Mo2 O10 90.56(12) . 3_666 ?
O1 Mo2 O10 162.64(11) . 3_666 ?
O4 Mo2 O10 83.33(11) . 3_666 ?
O8 Mo2 O10 71.86(10) . 3_666 ?
O7 Mo2 O10 71.81(9) . 3_666 ?
O6 Mo2 Mo3 132.85(9) . . ?
O1 Mo2 Mo3 84.14(9) . . ?
O4 Mo2 Mo3 120.55(8) . . ?
O8 Mo2 Mo3 35.11(7) . . ?
O7 Mo2 Mo3 41.68(6) . . ?
O10 Mo2 Mo3 79.12(6) 3_666 . ?
O13 Mo3 O9 104.92(13) . . ?
O13 Mo3 O8 101.60(12) . . ?
O9 Mo3 O8 96.78(11) . . ?
O13 Mo3 O10 100.63(12) . . ?
O9 Mo3 O10 96.71(11) . . ?
O8 Mo3 O10 149.98(10) . . ?
O13 Mo3 O7 98.32(11) . . ?
O9 Mo3 O7 156.76(11) . . ?
O8 Mo3 O7 78.43(10) . . ?
O10 Mo3 O7 78.61(10) . . ?
O13 Mo3 O7 173.08(11) . 3_666 ?
O9 Mo3 O7 81.97(11) . 3_666 ?
O8 Mo3 O7 77.91(10) . 3_666 ?
O10 Mo3 O7 77.60(10) . 3_666 ?
O7 Mo3 O7 74.79(11) . 3_666 ?
O13 Mo3 Mo4 89.19(9) . . ?
O9 Mo3 Mo4 133.22(9) . . ?
O8 Mo3 Mo4 124.22(7) . . ?
O10 Mo3 Mo4 36.51(8) . . ?
O7 Mo3 Mo4 45.79(6) . . ?
O7 Mo3 Mo4 85.48(6) 3_666 . ?
O13 Mo3 Mo2 90.07(9) . . ?
O9 Mo3 Mo2 133.15(8) . . ?
O8 Mo3 Mo2 36.37(8) . . ?
O10 Mo3 Mo2 124.26(7) . . ?
O7 Mo3 Mo2 45.65(7) . . ?
O7 Mo3 Mo2 85.54(6) 3_666 . ?
Mo4 Mo3 Mo2 90.094(12) . . ?
O11 Mo4 O14 104.86(13) . . ?
O11 Mo4 O5 101.06(12) . . ?
O14 Mo4 O5 101.41(13) . . ?
O11 Mo4 O10 99.58(12) . . ?
O14 Mo4 O10 97.11(12) . . ?
O5 Mo4 O10 147.57(11) . . ?
O11 Mo4 O7 162.88(12) . . ?
O14 Mo4 O7 91.80(11) . . ?
O5 Mo4 O7 78.99(10) . . ?
O10 Mo4 O7 74.02(9) . . ?
O11 Mo4 O8 90.97(12) . 3_666 ?
O14 Mo4 O8 162.22(11) . 3_666 ?
O5 Mo4 O8 83.02(10) . 3_666 ?
O10 Mo4 O8 71.86(10) . 3_666 ?
O7 Mo4 O8 71.99(9) . 3_666 ?
O11 Mo4 Mo3 134.90(10) . . ?
O14 Mo4 Mo3 83.63(9) . . ?
O5 Mo4 Mo3 120.91(8) . . ?
O10 Mo4 Mo3 35.50(7) . . ?
O7 Mo4 Mo3 41.93(6) . . ?
O8 Mo4 Mo3 79.40(6) 3_666 . ?
N1 Ag1 O2 152.93(11) . . ?
N1 Ag1 O1 124.30(11) . . ?
O2 Ag1 O1 82.49(9) . . ?

_refine_diff_density_max         1.934
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.145

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1959366'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H116 Ag2 Mo8 N4 O28 Sb2'
_chemical_formula_weight         2736.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.9154(8)
_cell_length_b                   18.2535(6)
_cell_length_c                   16.9286(8)
_cell_angle_alpha                90
_cell_angle_beta                 118.481(6)
_cell_angle_gamma                90
_cell_volume                     4594.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    9863
_cell_measurement_theta_min      3.6170
_cell_measurement_theta_max      29.4060

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_F_000             2688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    2.119
_shelx_estimated_absorpt_T_min   0.542
_shelx_estimated_absorpt_T_max   0.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.94902
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            18507
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.533
_diffrn_reflns_theta_max         29.648
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.786
_diffrn_measured_fraction_theta_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.786
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.786
_diffrn_reflns_point_group_measured_fraction_full 0.964
_reflns_number_total             10216
_reflns_number_gt                8972
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0273P)²+4.2731P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10216
_refine_ls_number_parameters     516
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0648
_refine_ls_wR_factor_gt          0.0624
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1A C 0.7356(3) 0.1986(2) 0.7467(3) 0.0453(10) Uiso 0.8 1 d . . P A 1
H1AA H 0.722452 0.147194 0.754945 0.054 Uiso 0.8 1 calc R U P A 1
H1AB H 0.801367 0.206181 0.782670 0.054 Uiso 0.8 1 calc R U P A 1
C2B C 0.7058(4) 0.2123(4) 0.6438(4) 0.0579(15) Uiso 0.8 1 d . . P A 1
H2BA H 0.639534 0.208273 0.608721 0.070 Uiso 0.8 1 calc R U P A 1
H2BB H 0.722541 0.262889 0.636549 0.070 Uiso 0.8 1 calc R U P A 1
C3A C 0.7430(5) 0.1653(4) 0.6099(5) 0.0700(18) Uiso 0.8 1 d . . P A 1
H3AA H 0.732067 0.114708 0.623555 0.084 Uiso 0.8 1 calc R U P A 1
H3AB H 0.808901 0.173196 0.640903 0.084 Uiso 0.8 1 calc R U P A 1
C4A C 0.7083(4) 0.1717(4) 0.5094(4) 0.0545(15) Uiso 0.8 1 d . . P A 1
H4AA H 0.738814 0.135655 0.490407 0.082 Uiso 0.8 1 calc R U P A 1
H4AB H 0.643405 0.162521 0.477742 0.082 Uiso 0.8 1 calc R U P A 1
H4AC H 0.720388 0.221122 0.495123 0.082 Uiso 0.8 1 calc R U P A 1
C1B C 0.7356(3) 0.1986(2) 0.7467(3) 0.0453(10) Uiso 0.2 1 d . . P A 2
H1B1 H 0.784882 0.228481 0.747483 0.054 Uiso 0.2 1 calc R U P A 2
H1B2 H 0.765203 0.161743 0.794901 0.054 Uiso 0.2 1 calc R U P A 2
C2A C 0.7006(13) 0.1576(11) 0.6646(11) 0.038(4) Uiso 0.2 1 d D . P A 2
H2A1 H 0.737045 0.113150 0.692062 0.046 Uiso 0.2 1 calc R U P A 2
H2A2 H 0.642294 0.146035 0.662043 0.046 Uiso 0.2 1 calc R U P A 2
C3B C 0.6756(17) 0.1383(14) 0.5805(13) 0.060(6) Uiso 0.2 1 d D . P A 2
H3B1 H 0.609954 0.135569 0.558348 0.072 Uiso 0.2 1 calc R U P A 2
H3B2 H 0.695286 0.086519 0.591414 0.072 Uiso 0.2 1 calc R U P A 2
C4B C 0.6742(14) 0.1474(11) 0.4995(13) 0.037(4) Uiso 0.2 1 d . . P A 2
H4BA H 0.637827 0.108585 0.458085 0.055 Uiso 0.2 1 calc R U P A 2
H4BB H 0.648099 0.195233 0.474218 0.055 Uiso 0.2 1 calc R U P A 2
H4BC H 0.735741 0.144855 0.508179 0.055 Uiso 0.2 1 calc R U P A 2
C5A C 0.7071(3) 0.3282(2) 0.7662(3) 0.0421(9) Uiso 0.7 1 d . . P A 3
H5AA H 0.668857 0.360869 0.780317 0.050 Uiso 0.7 1 calc R U P A 3
H5AB H 0.689743 0.335159 0.701939 0.050 Uiso 0.7 1 calc R U P A 3
C6B C 0.8088(4) 0.3522(3) 0.8250(5) 0.0398(15) Uiso 0.7 1 d . . P A 3
H6B1 H 0.823363 0.349607 0.888954 0.048 Uiso 0.7 1 calc R U P A 3
H6B2 H 0.846710 0.315414 0.815990 0.048 Uiso 0.7 1 calc R U P A 3
C7A C 0.8355(4) 0.4240(3) 0.8096(4) 0.0504(15) Uiso 0.7 1 d . . P A 3
H7AA H 0.800352 0.461323 0.821847 0.061 Uiso 0.7 1 calc R U P A 3
H7AB H 0.818934 0.427827 0.745185 0.061 Uiso 0.7 1 calc R U P A 3
C8A C 0.9317(4) 0.4421(4) 0.8632(4) 0.0479(15) Uiso 0.7 1 d . . P A 3
H8AA H 0.942471 0.491466 0.847718 0.072 Uiso 0.7 1 calc R U P A 3
H8AB H 0.948913 0.440236 0.927295 0.072 Uiso 0.7 1 calc R U P A 3
H8AC H 0.967551 0.406641 0.850405 0.072 Uiso 0.7 1 calc R U P A 3
C5B C 0.7071(3) 0.3282(2) 0.7662(3) 0.0421(9) Uiso 0.3 1 d . . P A 4
H5BA H 0.670193 0.340175 0.701659 0.050 Uiso 0.3 1 calc R U P A 4
H5BB H 0.686858 0.360347 0.800108 0.050 Uiso 0.3 1 calc R U P A 4
C6A C 0.7947(8) 0.3449(7) 0.7911(9) 0.027(3) Uiso 0.3 1 d . . P A 4
H6AA H 0.801182 0.363587 0.739627 0.032 Uiso 0.3 1 calc R U P A 4
H6AB H 0.834290 0.301827 0.817152 0.032 Uiso 0.3 1 calc R U P A 4
C7B C 0.8160(10) 0.4070(9) 0.8647(11) 0.057(4) Uiso 0.3 1 d . . P A 4
H7BA H 0.768002 0.444590 0.840568 0.068 Uiso 0.3 1 calc R U P A 4
H7BB H 0.817249 0.385250 0.918838 0.068 Uiso 0.3 1 calc R U P A 4
C8B C 0.9075(11) 0.4431(10) 0.8903(12) 0.059(4) Uiso 0.3 1 d . . P A 4
H8BA H 0.919820 0.481160 0.935532 0.089 Uiso 0.3 1 calc R U P A 4
H8BB H 0.955008 0.405925 0.914873 0.089 Uiso 0.3 1 calc R U P A 4
H8BC H 0.905848 0.465160 0.836741 0.089 Uiso 0.3 1 calc R U P A 4
C9 C 0.7219(2) 0.23370(19) 0.8783(2) 0.0294(7) Uani 1 1 d . . . . .
H9A H 0.787592 0.242633 0.910903 0.035 Uiso 1 1 calc R U . . .
H9B H 0.711847 0.181292 0.885676 0.035 Uiso 1 1 calc R U . . .
C10 C 0.6773(3) 0.2800(2) 0.9207(3) 0.0479(10) Uani 1 1 d . . . . .
H10A H 0.683116 0.332422 0.909509 0.057 Uiso 1 1 calc R U . . .
H10B H 0.612406 0.267989 0.892016 0.057 Uiso 1 1 calc R U . . .
C11 C 0.7186(3) 0.2671(3) 1.0199(3) 0.0471(10) Uani 1 1 d . . . . .
H11A H 0.712717 0.214543 1.030511 0.056 Uiso 1 1 calc R U . . .
H11B H 0.783538 0.278670 1.047954 0.056 Uiso 1 1 calc R U . . .
C12 C 0.6775(4) 0.3112(3) 1.0645(4) 0.0682(14) Uani 1 1 d . . . . .
H12A H 0.707612 0.300120 1.128899 0.102 Uiso 1 1 calc R U . . .
H12B H 0.684352 0.363446 1.055711 0.102 Uiso 1 1 calc R U . . .
H12C H 0.613449 0.299245 1.038248 0.102 Uiso 1 1 calc R U . . .
C13 C 0.5865(2) 0.2376(2) 0.7284(3) 0.0461(10) Uani 1 1 d . . . . .
H13A H 0.556953 0.276187 0.746171 0.055 Uiso 1 1 calc R U . . .
H13B H 0.566453 0.243659 0.663499 0.055 Uiso 1 1 calc R U . . .
C14 C 0.5551(3) 0.1639(3) 0.7428(3) 0.0621(14) Uani 1 1 d . . . . .
H14A H 0.564037 0.161389 0.804910 0.074 Uiso 1 1 calc R U . . .
H14B H 0.592410 0.125174 0.736048 0.074 Uiso 1 1 calc R U . . .
C15 C 0.4559(3) 0.1492(3) 0.6767(3) 0.0601(13) Uani 1 1 d . . . . .
H15A H 0.434987 0.107055 0.698590 0.072 Uiso 1 1 calc R U . . .
H15B H 0.419884 0.192484 0.675027 0.072 Uiso 1 1 calc R U . . .
C16 C 0.4402(4) 0.1337(3) 0.5863(4) 0.0714(15) Uani 1 1 d . . . . .
H16A H 0.376005 0.124744 0.547041 0.107 Uiso 1 1 calc R U . . .
H16B H 0.459520 0.175679 0.563593 0.107 Uiso 1 1 calc R U . . .
H16C H 0.474630 0.090213 0.587166 0.107 Uiso 1 1 calc R U . . .
C17 C 0.9108(2) 0.30171(17) 0.5553(2) 0.0229(6) Uani 1 1 d . . . . .
C18 C 0.9063(2) 0.32531(19) 0.6310(2) 0.0295(7) Uani 1 1 d . . . . .
H18A H 0.870448 0.366576 0.627323 0.035 Uiso 1 1 calc R U . . .
C19 C 0.9539(2) 0.2887(2) 0.7117(2) 0.0362(8) Uani 1 1 d . . . . .
H19A H 0.951851 0.305701 0.763711 0.043 Uiso 1 1 calc R U . . .
C20 C 1.0045(2) 0.2275(2) 0.7170(2) 0.0335(8) Uani 1 1 d . . . . .
H20A H 1.036727 0.202249 0.772404 0.040 Uiso 1 1 calc R U . . .
C21 C 1.0080(2) 0.2036(2) 0.6423(2) 0.0346(8) Uani 1 1 d . . . . .
H21A H 1.042543 0.161602 0.645648 0.042 Uiso 1 1 calc R U . . .
C22 C 0.9616(2) 0.24024(19) 0.5624(2) 0.0305(7) Uani 1 1 d . . . . .
H22A H 0.964426 0.223067 0.510808 0.037 Uiso 1 1 calc R U . . .
C23 C 0.8192(2) 0.26993(17) 0.3436(2) 0.0237(6) Uani 1 1 d . . . . .
C24 C 0.8834(2) 0.2451(2) 0.3221(2) 0.0329(8) Uani 1 1 d . . . . .
H24A H 0.939814 0.269270 0.345904 0.040 Uiso 1 1 calc R U . . .
C25 C 0.8665(3) 0.1851(2) 0.2662(2) 0.0405(9) Uani 1 1 d . . . . .
H25A H 0.911466 0.168274 0.252098 0.049 Uiso 1 1 calc R U . . .
C26 C 0.7852(3) 0.1499(2) 0.2313(2) 0.0438(10) Uani 1 1 d . . . . .
H26A H 0.773852 0.108743 0.193032 0.053 Uiso 1 1 calc R U . . .
C27 C 0.7202(3) 0.1742(2) 0.2515(2) 0.0414(9) Uani 1 1 d . . . . .
H27A H 0.663633 0.150088 0.226935 0.050 Uiso 1 1 calc R U . . .
C28 C 0.7371(2) 0.2340(2) 0.3077(2) 0.0318(8) Uani 1 1 d . . . . .
H28A H 0.692056 0.250547 0.321828 0.038 Uiso 1 1 calc R U . . .
C29 C 0.95212(19) 0.40942(17) 0.4272(2) 0.0221(6) Uani 1 1 d . . . . .
C30 C 0.9350(2) 0.46154(19) 0.3611(2) 0.0300(7) Uani 1 1 d . . . . .
H30A H 0.874769 0.474936 0.320450 0.036 Uiso 1 1 calc R U . . .
C31 C 1.0056(2) 0.4940(2) 0.3546(3) 0.0359(8) Uani 1 1 d . . . . .
H31A H 0.993497 0.529753 0.309471 0.043 Uiso 1 1 calc R U . . .
C32 C 1.0928(2) 0.47511(19) 0.4125(2) 0.0322(8) Uani 1 1 d . . . . .
H32A H 1.140855 0.497019 0.406897 0.039 Uiso 1 1 calc R U . . .
C33 C 1.1104(2) 0.4244(2) 0.4786(3) 0.0341(8) Uani 1 1 d . . . . .
H33A H 1.170867 0.411787 0.519311 0.041 Uiso 1 1 calc R U . . .
C34 C 1.0408(2) 0.39145(19) 0.4865(2) 0.0295(7) Uani 1 1 d . . . . .
H34A H 1.053656 0.356494 0.532684 0.035 Uiso 1 1 calc R U . . .
C35 C 0.6606(3) 0.4834(2) 0.1730(3) 0.0393(9) Uani 1 1 d . . . . .
H35A H 0.604908 0.491774 0.172491 0.047 Uiso 1 1 calc R U . . .
C36 C 0.7554(3) 0.5045(3) 0.1052(3) 0.0622(13) Uani 1 1 d . . . . .
H36A H 0.751652 0.528730 0.051859 0.093 Uiso 1 1 calc R U . . .
H36B H 0.803468 0.527089 0.159389 0.093 Uiso 1 1 calc R U . . .
H36C H 0.768560 0.452376 0.103938 0.093 Uiso 1 1 calc R U . . .
C37 C 0.6068(3) 0.5628(3) 0.0426(3) 0.0556(12) Uani 1 1 d . . . . .
H37A H 0.626518 0.577495 -0.000930 0.083 Uiso 1 1 calc R U . . .
H37B H 0.547739 0.539240 0.011009 0.083 Uiso 1 1 calc R U . . .
H37C H 0.602612 0.606252 0.074480 0.083 Uiso 1 1 calc R U . . .
N1 N 0.68781(18) 0.24918(17) 0.7802(2) 0.0346(7) Uani 1 1 d . . . . .
N2 N 0.6705(2) 0.51245(19) 0.1059(2) 0.0415(8) Uani 1 1 d . . . . .
O1 O 0.55259(14) 0.44899(12) 0.27517(14) 0.0245(5) Uani 1 1 d . . . . .
O2 O 0.37940(14) 0.48139(13) 0.15735(14) 0.0272(5) Uani 1 1 d . . . . .
O3 O 0.42485(12) 0.38673(11) 0.30798(13) 0.0183(4) Uani 1 1 d . . . . .
O4 O 0.48592(13) 0.57687(11) 0.30125(13) 0.0185(4) Uani 1 1 d . . . . .
O5 O 0.66749(13) 0.55776(12) 0.42133(14) 0.0211(4) Uani 1 1 d . . . . .
O6 O 0.58680(13) 0.68715(11) 0.41881(13) 0.0213(4) Uani 1 1 d . . . . .
O7 O 0.61372(12) 0.58326(10) 0.55123(12) 0.0150(4) Uani 1 1 d . . . . .
O8 O 0.52400(12) 0.48280(10) 0.43610(12) 0.0144(4) Uani 1 1 d . . . . .
O9 O 0.59738(13) 0.34069(12) 0.43003(14) 0.0220(4) Uani 1 1 d . . . . .
O11 O 0.45449(14) 0.27566(11) 0.43193(14) 0.0234(5) Uani 1 1 d . . . . .
O12 O 0.54945(12) 0.38716(10) 0.55808(12) 0.0148(4) Uani 1 1 d . . . . .
O13 O 0.70776(12) 0.45084(11) 0.57231(13) 0.0192(4) Uani 1 1 d . . . . .
O14 O 0.64609(12) 0.48817(11) 0.68919(13) 0.0169(4) Uani 1 1 d . . . . .
O15 O 0.71592(18) 0.44755(19) 0.23430(19) 0.0549(8) Uani 1 1 d . . . . .
Mo1 Mo 0.45244(2) 0.47639(2) 0.26825(2) 0.01759(6) Uani 1 1 d . . . . .
Mo2 Mo 0.57417(2) 0.59543(2) 0.42082(2) 0.01503(6) Uani 1 1 d . . . . .
Mo3 Mo 0.61394(2) 0.47934(2) 0.57510(2) 0.01314(6) Uani 1 1 d . . . . .
Mo4 Mo 0.49826(2) 0.35863(2) 0.42918(2) 0.01600(6) Uani 1 1 d . . . . .
Ag1 Ag 0.69684(2) 0.43409(2) 0.39537(2) 0.03182(7) Uani 1 1 d . . . . .
Sb1 Sb 0.84130(2) 0.35939(2) 0.43217(2) 0.01928(5) Uani 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
C1A N1 1.505(5) . ?
C1A C2B 1.585(7) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C2B C3A 1.344(8) . ?
C2B H2BA 0.9900 . ?
C2B H2BB 0.9900 . ?
C3A C4A 1.517(9) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
C1B C2A 1.434(17) . ?
C1B N1 1.505(5) . ?
C1B H1B1 0.9900 . ?
C1B H1B2 0.9900 . ?
C2A C3B 1.325(17) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
C3B C4B 1.37(3) . ?
C3B H3B1 0.9900 . ?
C3B H3B2 0.9900 . ?
C4B H4BA 0.9800 . ?
C4B H4BB 0.9800 . ?
C4B H4BC 0.9800 . ?
C5A N1 1.522(5) . ?
C5A C6B 1.584(7) . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C6B C7A 1.450(9) . ?
C6B H6B1 0.9900 . ?
C6B H6B2 0.9900 . ?
C7A C8A 1.473(8) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C5B C6A 1.367(12) . ?
C5B N1 1.522(5) . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C6A C7B 1.59(2) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C7B C8B 1.54(2) . ?
C7B H7BA 0.9900 . ?
C7B H7BB 0.9900 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C9 N1 1.503(4) . ?
C9 C10 1.521(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.498(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.483(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.506(6) . ?
C13 N1 1.522(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.533(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.451(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.384(4) . ?
C17 C18 1.387(5) . ?
C17 Sb1 2.121(3) . ?
C18 C19 1.382(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.384(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.365(5) . ?
C20 H20A 0.9500 . ?
C21 C22 1.371(5) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 C24 1.377(4) . ?
C23 C28 1.386(5) . ?
C23 Sb1 2.125(3) . ?
C24 C25 1.385(5) . ?
C24 H24A 0.9500 . ?
C25 C26 1.370(6) . ?
C25 H25A 0.9500 . ?
C26 C27 1.372(6) . ?
C26 H26A 0.9500 . ?
C27 C28 1.386(5) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C29 C34 1.389(4) . ?
C29 C30 1.389(5) . ?
C29 Sb1 2.123(3) . ?
C30 C31 1.385(5) . ?
C30 H30A 0.9500 . ?
C31 C32 1.370(5) . ?
C31 H31A 0.9500 . ?
C32 C33 1.371(5) . ?
C32 H32A 0.9500 . ?
C33 C34 1.385(5) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 O15 1.206(4) . ?
C35 N2 1.335(5) . ?
C35 H35A 0.9500 . ?
C36 N2 1.449(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 N2 1.433(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
O1 Mo1 1.716(2) . ?
O1 Ag1 2.331(2) . ?
O2 Mo1 1.687(2) . ?
O3 Mo4 1.8934(19) . ?
O3 Mo1 1.910(2) . ?
O4 Mo2 1.8864(19) . ?
O4 Mo1 1.922(2) . ?
O5 Mo2 1.718(2) . ?
O5 Ag1 2.396(2) . ?
O6 Mo2 1.690(2) . ?
O7 Mo3 1.9390(19) . ?
O7 Mo2 1.9906(19) . ?
O7 Mo4 2.3285(19) 3_666 ?
O8 Mo3 2.1074(18) . ?
O8 Mo2 2.2856(19) . ?
O8 Mo4 2.3004(19) . ?
O8 Mo3 2.3529(18) 3_666 ?
O8 Mo1 2.5045(19) . ?
O9 Mo4 1.702(2) . ?
O11 Mo4 1.696(2) . ?
O12 Mo3 1.9505(19) . ?
O12 Mo4 1.9951(19) . ?
O12 Mo2 2.3051(18) 3_666 ?
O13 Mo3 1.6920(19) . ?
O14 Mo3 1.7465(19) . ?
O14 Mo1 2.2048(19) 3_666 ?
Mo2 Mo3 3.1763(3) . ?
Mo3 Mo4 3.1899(4) . ?
Ag1 Sb1 2.6013(3) . ?

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
N1 C1A C2B 111.7(4) . . ?
N1 C1A H1AA 109.3 . . ?
C2B C1A H1AA 109.3 . . ?
N1 C1A H1AB 109.3 . . ?
C2B C1A H1AB 109.3 . . ?
H1AA C1A H1AB 107.9 . . ?
C3A C2B C1A 113.5(5) . . ?
C3A C2B H2BA 108.9 . . ?
C1A C2B H2BA 108.9 . . ?
C3A C2B H2BB 108.9 . . ?
C1A C2B H2BB 108.9 . . ?
H2BA C2B H2BB 107.7 . . ?
C2B C3A C4A 114.8(6) . . ?
C2B C3A H3AA 108.6 . . ?
C4A C3A H3AA 108.6 . . ?
C2B C3A H3AB 108.6 . . ?
C4A C3A H3AB 108.6 . . ?
H3AA C3A H3AB 107.5 . . ?
C3A C4A H4AA 109.5 . . ?
C3A C4A H4AB 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
C3A C4A H4AC 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
C2A C1B N1 129.6(8) . . ?
C2A C1B H1B1 104.9 . . ?
N1 C1B H1B1 104.9 . . ?
C2A C1B H1B2 104.9 . . ?
N1 C1B H1B2 104.9 . . ?
H1B1 C1B H1B2 105.8 . . ?
C3B C2A C1B 162(2) . . ?
C3B C2A H2A1 95.5 . . ?
C1B C2A H2A1 95.5 . . ?
C3B C2A H2A2 95.5 . . ?
C1B C2A H2A2 95.5 . . ?
H2A1 C2A H2A2 103.3 . . ?
C2A C3B C4B 153(2) . . ?
C2A C3B H3B1 98.4 . . ?
C4B C3B H3B1 98.4 . . ?
C2A C3B H3B2 98.4 . . ?
C4B C3B H3B2 98.4 . . ?
H3B1 C3B H3B2 103.8 . . ?
C3B C4B H4BA 109.5 . . ?
C3B C4B H4BB 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
C3B C4B H4BC 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
N1 C5A C6B 114.4(3) . . ?
N1 C5A H5AA 108.6 . . ?
C6B C5A H5AA 108.6 . . ?
N1 C5A H5AB 108.6 . . ?
C6B C5A H5AB 108.6 . . ?
H5AA C5A H5AB 107.6 . . ?
C7A C6B C5A 118.4(5) . . ?
C7A C6B H6B1 107.7 . . ?
C5A C6B H6B1 107.7 . . ?
C7A C6B H6B2 107.7 . . ?
C5A C6B H6B2 107.7 . . ?
H6B1 C6B H6B2 107.1 . . ?
C6B C7A C8A 116.1(6) . . ?
C6B C7A H7AA 108.3 . . ?
C8A C7A H7AA 108.3 . . ?
C6B C7A H7AB 108.3 . . ?
C8A C7A H7AB 108.3 . . ?
H7AA C7A H7AB 107.4 . . ?
C7A C8A H8AA 109.5 . . ?
C7A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C7A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C6A C5B N1 116.4(6) . . ?
C6A C5B H5BA 108.2 . . ?
N1 C5B H5BA 108.2 . . ?
C6A C5B H5BB 108.2 . . ?
N1 C5B H5BB 108.2 . . ?
H5BA C5B H5BB 107.3 . . ?
C5B C6A C7B 102.0(9) . . ?
C5B C6A H6AA 111.4 . . ?
C7B C6A H6AA 111.4 . . ?
C5B C6A H6AB 111.4 . . ?
C7B C6A H6AB 111.4 . . ?
H6AA C6A H6AB 109.2 . . ?
C8B C7B C6A 110.3(13) . . ?
C8B C7B H7BA 109.6 . . ?
C6A C7B H7BA 109.6 . . ?
C8B C7B H7BB 109.6 . . ?
C6A C7B H7BB 109.6 . . ?
H7BA C7B H7BB 108.1 . . ?
C7B C8B H8BA 109.5 . . ?
C7B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C7B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
N1 C9 C10 113.7(3) . . ?
N1 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C11 C10 C9 111.8(3) . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 C10 113.9(4) . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11B 108.8 . . ?
C10 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N1 114.7(3) . . ?
C14 C13 H13A 108.6 . . ?
N1 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
N1 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 C15 112.7(4) . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14B 109.0 . . ?
C15 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C16 C15 C14 112.9(5) . . ?
C16 C15 H15A 109.0 . . ?
C14 C15 H15A 109.0 . . ?
C16 C15 H15B 109.0 . . ?
C14 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 118.5(3) . . ?
C22 C17 Sb1 121.1(2) . . ?
C18 C17 Sb1 120.3(2) . . ?
C19 C18 C17 120.0(3) . . ?
C19 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
C18 C19 C20 120.3(3) . . ?
C18 C19 H19A 119.8 . . ?
C20 C19 H19A 119.8 . . ?
C21 C20 C19 119.7(3) . . ?
C21 C20 H20A 120.1 . . ?
C19 C20 H20A 120.1 . . ?
C20 C21 C22 120.1(3) . . ?
C20 C21 H21A 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C21 C22 C17 121.3(3) . . ?
C21 C22 H22A 119.3 . . ?
C17 C22 H22A 119.3 . . ?
C24 C23 C28 118.6(3) . . ?
C24 C23 Sb1 123.0(2) . . ?
C28 C23 Sb1 118.4(2) . . ?
C23 C24 C25 120.7(3) . . ?
C23 C24 H24A 119.7 . . ?
C25 C24 H24A 119.7 . . ?
C26 C25 C24 120.1(4) . . ?
C26 C25 H25A 119.9 . . ?
C24 C25 H25A 119.9 . . ?
C25 C26 C27 120.0(3) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C26 C27 C28 119.9(4) . . ?
C26 C27 H27A 120.1 . . ?
C28 C27 H27A 120.1 . . ?
C27 C28 C23 120.6(3) . . ?
C27 C28 H28A 119.7 . . ?
C23 C28 H28A 119.7 . . ?
C34 C29 C30 118.9(3) . . ?
C34 C29 Sb1 122.6(2) . . ?
C30 C29 Sb1 118.5(2) . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30A 120.0 . . ?
C29 C30 H30A 120.0 . . ?
C32 C31 C30 120.7(3) . . ?
C32 C31 H31A 119.6 . . ?
C30 C31 H31A 119.6 . . ?
C31 C32 C33 119.6(3) . . ?
C31 C32 H32A 120.2 . . ?
C33 C32 H32A 120.2 . . ?
C32 C33 C34 120.6(3) . . ?
C32 C33 H33A 119.7 . . ?
C34 C33 H33A 119.7 . . ?
C33 C34 C29 120.1(3) . . ?
C33 C34 H34A 119.9 . . ?
C29 C34 H34A 119.9 . . ?
O15 C35 N2 125.9(4) . . ?
O15 C35 H35A 117.0 . . ?
N2 C35 H35A 117.0 . . ?
N2 C36 H36A 109.5 . . ?
N2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N2 C37 H37A 109.5 . . ?
N2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C9 N1 C1A 108.0(3) . . ?
C9 N1 C1B 108.0(3) . . ?
C9 N1 C5A 110.7(3) . . ?
C9 N1 C5B 110.7(3) . . ?
C9 N1 C13 110.1(3) . . ?
C1A N1 C13 111.0(3) . . ?
C1B N1 C13 111.0(3) . . ?
C5A N1 C13 108.0(3) . . ?
C5B N1 C13 108.0(3) . . ?
C35 N2 C37 122.4(4) . . ?
C35 N2 C36 119.6(3) . . ?
C37 N2 C36 116.9(4) . . ?
Mo1 O1 Ag1 133.00(11) . . ?
Mo4 O3 Mo1 118.01(10) . . ?
Mo2 O4 Mo1 117.13(10) . . ?
Mo2 O5 Ag1 130.26(10) . . ?
Mo3 O7 Mo2 107.85(9) . . ?
Mo3 O7 Mo4 109.69(8) . 3_666 ?
Mo2 O7 Mo4 103.95(8) . 3_666 ?
Mo3 O8 Mo2 92.52(7) . . ?
Mo3 O8 Mo4 92.62(7) . . ?
Mo2 O8 Mo4 162.19(9) . . ?
Mo3 O8 Mo3 105.00(8) . 3_666 ?
Mo2 O8 Mo3 97.71(7) . 3_666 ?
Mo4 O8 Mo3 97.41(7) . 3_666 ?
Mo3 O8 Mo1 165.10(9) . . ?
Mo2 O8 Mo1 85.31(6) . . ?
Mo4 O8 Mo1 85.35(6) . . ?
Mo3 O8 Mo1 89.89(6) 3_666 . ?
Mo3 O12 Mo4 107.89(9) . . ?
Mo3 O12 Mo2 110.07(8) . 3_666 ?
Mo4 O12 Mo2 104.65(8) . 3_666 ?
Mo3 O14 Mo1 120.22(9) . 3_666 ?
O2 Mo1 O1 105.49(11) . . ?
O2 Mo1 O3 105.42(10) . . ?
O1 Mo1 O3 97.19(10) . . ?
O2 Mo1 O4 103.28(10) . . ?
O1 Mo1 O4 96.54(9) . . ?
O3 Mo1 O4 143.40(8) . . ?
O2 Mo1 O14 94.66(9) . 3_666 ?
O1 Mo1 O14 159.84(9) . 3_666 ?
O3 Mo1 O14 77.68(8) . 3_666 ?
O4 Mo1 O14 77.81(8) . 3_666 ?
O2 Mo1 O8 163.96(9) . . ?
O1 Mo1 O8 90.51(8) . . ?
O3 Mo1 O8 73.00(7) . . ?
O4 Mo1 O8 73.12(7) . . ?
O14 Mo1 O8 69.34(6) 3_666 . ?
O6 Mo2 O5 105.78(10) . . ?
O6 Mo2 O4 101.50(9) . . ?
O5 Mo2 O4 100.87(9) . . ?
O6 Mo2 O7 98.86(9) . . ?
O5 Mo2 O7 97.34(9) . . ?
O4 Mo2 O7 147.72(8) . . ?
O6 Mo2 O8 161.93(8) . . ?
O5 Mo2 O8 91.67(8) . . ?
O4 Mo2 O8 79.24(8) . . ?
O7 Mo2 O8 73.77(7) . . ?
O6 Mo2 O12 89.96(8) . 3_666 ?
O5 Mo2 O12 162.47(8) . 3_666 ?
O4 Mo2 O12 83.04(8) . 3_666 ?
O7 Mo2 O12 72.14(7) . 3_666 ?
O8 Mo2 O12 72.13(7) . 3_666 ?
O6 Mo2 Mo3 134.28(7) . . ?
O5 Mo2 Mo3 83.97(7) . . ?
O4 Mo2 Mo3 120.76(6) . . ?
O7 Mo2 Mo3 35.53(5) . . ?
O8 Mo2 Mo3 41.52(5) . . ?
O12 Mo2 Mo3 79.43(5) 3_666 . ?
O13 Mo3 O14 104.93(9) . . ?
O13 Mo3 O7 101.75(9) . . ?
O14 Mo3 O7 96.24(9) . . ?
O13 Mo3 O12 101.34(9) . . ?
O14 Mo3 O12 95.75(8) . . ?
O7 Mo3 O12 150.19(8) . . ?
O13 Mo3 O8 99.52(8) . . ?
O14 Mo3 O8 155.55(8) . . ?
O7 Mo3 O8 79.01(7) . . ?
O12 Mo3 O8 78.80(7) . . ?
O13 Mo3 O8 174.48(8) . 3_666 ?
O14 Mo3 O8 80.55(8) . 3_666 ?
O7 Mo3 O8 78.03(7) . 3_666 ?
O12 Mo3 O8 77.18(7) . 3_666 ?
O8 Mo3 O8 75.00(8) . 3_666 ?
O13 Mo3 Mo2 90.91(7) . . ?
O14 Mo3 Mo2 132.83(7) . . ?
O7 Mo3 Mo2 36.62(6) . . ?
O12 Mo3 Mo2 124.74(5) . . ?
O8 Mo3 Mo2 45.96(5) . . ?
O8 Mo3 Mo2 85.69(5) 3_666 . ?
O13 Mo3 Mo4 90.19(7) . . ?
O14 Mo3 Mo4 132.27(6) . . ?
O7 Mo3 Mo4 125.09(6) . . ?
O12 Mo3 Mo4 36.53(5) . . ?
O8 Mo3 Mo4 46.09(5) . . ?
O8 Mo3 Mo4 85.53(5) 3_666 . ?
Mo2 Mo3 Mo4 90.742(10) . . ?
O11 Mo4 O9 105.62(10) . . ?
O11 Mo4 O3 101.67(9) . . ?
O9 Mo4 O3 101.29(9) . . ?
O11 Mo4 O12 99.82(9) . . ?
O9 Mo4 O12 97.41(9) . . ?
O3 Mo4 O12 146.39(8) . . ?
O11 Mo4 O8 162.34(9) . . ?
O9 Mo4 O8 91.57(9) . . ?
O3 Mo4 O8 78.38(8) . . ?
O12 Mo4 O8 73.39(7) . . ?
O11 Mo4 O7 90.43(9) . 3_666 ?
O9 Mo4 O7 162.10(9) . 3_666 ?
O3 Mo4 O7 82.72(7) . 3_666 ?
O12 Mo4 O7 71.55(7) . 3_666 ?
O8 Mo4 O7 72.00(6) . 3_666 ?
O11 Mo4 Mo3 135.24(7) . . ?
O9 Mo4 Mo3 83.58(7) . . ?
O3 Mo4 Mo3 119.68(6) . . ?
O12 Mo4 Mo3 35.58(5) . . ?
O8 Mo4 Mo3 41.30(5) . . ?
O7 Mo4 Mo3 79.36(5) 3_666 . ?
O1 Ag1 O5 80.10(7) . . ?
O1 Ag1 Sb1 137.99(5) . . ?
O5 Ag1 Sb1 134.66(5) . . ?
C17 Sb1 C29 99.61(12) . . ?
C17 Sb1 C23 98.08(12) . . ?
C29 Sb1 C23 99.45(12) . . ?
C17 Sb1 Ag1 120.83(8) . . ?
C29 Sb1 Ag1 120.76(8) . . ?
C23 Sb1 Ag1 113.85(8) . . ?

_refine_diff_density_max         1.197
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.098

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2




####################################################################### 
# 
# 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_7
_database_code_depnum_ccdc_archive 'CCDC 1959369'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H94 Ag2 I2 Mo8 N6 O28'
_chemical_formula_weight         2440.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   13.8249(8)
_cell_length_b                   19.4381(7)
_cell_length_c                   15.3544(9)
_cell_angle_alpha                90
_cell_angle_beta                 116.353(7)
_cell_angle_gamma                90
_cell_volume                     3697.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    8922
_cell_measurement_theta_min      2.6300
_cell_measurement_theta_max      29.2940

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.192
_exptl_crystal_F_000             2368
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.738
_shelx_estimated_absorpt_T_min   0.548
_shelx_estimated_absorpt_T_max   0.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73665
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            22107
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.949
_diffrn_reflns_theta_max         29.479
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measured_fraction_theta_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_point_group_measured_fraction_full 0.969
_reflns_number_total             8581
_reflns_number_gt                7258
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0453P)²+9.2040P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8581
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0357
_refine_ls_wR_factor_ref         0.0967
_refine_ls_wR_factor_gt          0.0912
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.7241(4) 0.6694(2) 0.8751(4) 0.0284(11) Uani 1 1 d . . . . .
H1A H 0.660950 0.666235 0.815002 0.034 Uiso 1 1 calc R U . . .
C2 C 0.7195(4) 0.7075(3) 0.9494(4) 0.0310(12) Uani 1 1 d . . . . .
H2A H 0.654916 0.730362 0.940031 0.037 Uiso 1 1 calc R U . . .
C3 C 0.8102(4) 0.7115(3) 1.0370(4) 0.0289(11) Uani 1 1 d . . . . .
H3A H 0.809751 0.738109 1.088731 0.035 Uiso 1 1 calc R U . . .
C4 C 0.9007(4) 0.6766(2) 1.0486(3) 0.0204(9) Uani 1 1 d . . . . .
C5 C 0.9001(4) 0.6405(2) 0.9698(3) 0.0219(10) Uani 1 1 d . . . . .
H5A H 0.964027 0.617514 0.977307 0.026 Uiso 1 1 calc R U . . .
C6 C 1.0581(4) 0.6069(3) 0.7809(5) 0.0397(14) Uani 1 1 d . . . . .
H6A H 1.071997 0.653838 0.773626 0.048 Uiso 1 1 calc R U . . .
C7 C 1.0487(5) 0.4904(3) 0.7248(5) 0.0493(17) Uani 1 1 d . . . . .
H7A H 1.065897 0.465930 0.677557 0.074 Uiso 1 1 calc R U . . .
H7B H 1.091742 0.471351 0.789775 0.074 Uiso 1 1 calc R U . . .
H7C H 0.971808 0.484986 0.707172 0.074 Uiso 1 1 calc R U . . .
C8 C 1.0976(5) 0.5850(4) 0.6464(5) 0.0466(15) Uani 1 1 d . . . . .
H8A H 1.106497 0.544722 0.612136 0.070 Uiso 1 1 calc R U . . .
H8B H 1.038230 0.613469 0.600823 0.070 Uiso 1 1 calc R U . . .
H8C H 1.164481 0.611904 0.673272 0.070 Uiso 1 1 calc R U . . .
C9 C 0.6522(4) 0.2550(2) 0.2753(3) 0.0225(10) Uani 1 1 d . . . . .
H9A H 0.727137 0.254222 0.282860 0.027 Uiso 1 1 calc R U . . .
H9B H 0.607249 0.227914 0.216523 0.027 Uiso 1 1 calc R U . . .
C10 C 0.6127(4) 0.3286(2) 0.2585(4) 0.0243(10) Uani 1 1 d . . . . .
H10A H 0.657376 0.356618 0.316395 0.029 Uiso 1 1 calc R U . . .
H10B H 0.537149 0.330232 0.249352 0.029 Uiso 1 1 calc R U . . .
C11 C 0.6184(4) 0.3591(3) 0.1692(4) 0.0275(11) Uani 1 1 d . . . . .
H11A H 0.694352 0.358973 0.179503 0.033 Uiso 1 1 calc R U . . .
H11B H 0.576002 0.330018 0.111916 0.033 Uiso 1 1 calc R U . . .
C12 C 0.5751(5) 0.4322(3) 0.1491(5) 0.0396(14) Uani 1 1 d . . . . .
H12A H 0.580157 0.449932 0.091473 0.059 Uiso 1 1 calc R U . . .
H12B H 0.499526 0.432440 0.137608 0.059 Uiso 1 1 calc R U . . .
H12C H 0.617823 0.461382 0.205166 0.059 Uiso 1 1 calc R U . . .
C13 C 0.7213(4) 0.2577(3) 0.4559(3) 0.0295(12) Uani 1 1 d . . . . .
H13A H 0.708180 0.238747 0.509521 0.035 Uiso 1 1 calc R U . . .
H13B H 0.699603 0.306751 0.448009 0.035 Uiso 1 1 calc R U . . .
C14 C 0.8450(5) 0.2534(3) 0.4853(4) 0.0400(14) Uani 1 1 d . . . . .
H14A H 0.870857 0.206210 0.508162 0.048 Uiso 1 1 calc R U . . .
H14B H 0.856961 0.262461 0.427313 0.048 Uiso 1 1 calc R U . . .
C15 C 0.9088(5) 0.3033(4) 0.5629(5) 0.0466(16) Uani 1 1 d . . . . .
H15A H 0.886317 0.350511 0.537816 0.056 Uiso 1 1 calc R U . . .
H15B H 0.891696 0.296603 0.618446 0.056 Uiso 1 1 calc R U . . .
C16 C 1.0269(5) 0.2972(3) 0.5981(5) 0.0459(16) Uani 1 1 d . . . . .
H16A H 1.063538 0.331556 0.648907 0.069 Uiso 1 1 calc R U . . .
H16B H 1.050339 0.251034 0.624698 0.069 Uiso 1 1 calc R U . . .
H16C H 1.044954 0.305011 0.543965 0.069 Uiso 1 1 calc R U . . .
C17 C 0.6922(4) 0.1469(2) 0.3647(3) 0.0209(9) Uani 1 1 d . . . . .
H17A H 0.767524 0.149688 0.373620 0.025 Uiso 1 1 calc R U . . .
H17B H 0.648549 0.125218 0.300707 0.025 Uiso 1 1 calc R U . . .
C18 C 0.6895(4) 0.1006(2) 0.4433(4) 0.0234(10) Uani 1 1 d . . . . .
H18A H 0.723924 0.124576 0.506735 0.028 Uiso 1 1 calc R U . . .
H18B H 0.613587 0.090841 0.428845 0.028 Uiso 1 1 calc R U . . .
C19 C 0.7482(4) 0.0336(2) 0.4494(4) 0.0282(11) Uani 1 1 d . . . . .
H19A H 0.825389 0.043043 0.468763 0.034 Uiso 1 1 calc R U . . .
H19B H 0.717287 0.011245 0.384697 0.034 Uiso 1 1 calc R U . . .
C20 C 0.7379(5) -0.0145(3) 0.5228(4) 0.0321(12) Uani 1 1 d . . . . .
H20A H 0.776239 -0.057497 0.525814 0.048 Uiso 1 1 calc R U . . .
H20B H 0.769448 0.007416 0.586973 0.048 Uiso 1 1 calc R U . . .
H20C H 0.661514 -0.024332 0.503037 0.048 Uiso 1 1 calc R U . . .
C21 C 0.5365(4) 0.2178(2) 0.3540(3) 0.0214(10) Uani 1 1 d . . . . .
H21A H 0.538798 0.195103 0.412682 0.026 Uiso 1 1 calc R U . . .
H21B H 0.511965 0.265688 0.353409 0.026 Uiso 1 1 calc R U . . .
C22 C 0.4536(4) 0.1810(3) 0.2652(4) 0.0291(11) Uani 1 1 d . . . . .
H22A H 0.479118 0.133747 0.263138 0.035 Uiso 1 1 calc R U . . .
H22B H 0.446501 0.205412 0.206010 0.035 Uiso 1 1 calc R U . . .
C23 C 0.3439(4) 0.1776(3) 0.2651(4) 0.0312(12) Uani 1 1 d . . . . .
H23A H 0.322943 0.224502 0.275142 0.037 Uiso 1 1 calc R U . . .
H23B H 0.290092 0.161631 0.200414 0.037 Uiso 1 1 calc R U . . .
C24 C 0.3398(6) 0.1310(3) 0.3410(5) 0.0512(17) Uani 1 1 d . . . . .
H24A H 0.266821 0.131444 0.336492 0.077 Uiso 1 1 calc R U . . .
H24B H 0.358490 0.084071 0.330749 0.077 Uiso 1 1 calc R U . . .
H24C H 0.391389 0.147032 0.405586 0.077 Uiso 1 1 calc R U . . .
N1 N 0.8126(3) 0.6373(2) 0.8840(3) 0.0210(8) Uani 1 1 d . . . . .
N2 N 0.6506(3) 0.21953(19) 0.3627(3) 0.0189(8) Uani 1 1 d . . . . .
N3 N 1.0735(3) 0.5625(2) 0.7244(3) 0.0318(10) Uani 1 1 d . . . . .
O1 O 0.7293(2) 0.34154(15) 0.6329(2) 0.0196(7) Uani 1 1 d . . . . .
O2 O 0.7649(2) 0.45413(15) 0.5375(2) 0.0176(6) Uani 1 1 d . . . . .
O3 O 0.8331(3) 0.55696(18) 0.4430(3) 0.0264(7) Uani 1 1 d . . . . .
O4 O 0.5555(2) 0.42256(14) 0.6238(2) 0.0137(6) Uani 1 1 d . . . . .
O5 O 0.3831(2) 0.49502(15) 0.6258(2) 0.0157(6) Uani 1 1 d . . . . .
O6 O 0.4446(2) 0.60026(14) 0.5391(2) 0.0140(6) Uani 1 1 d . . . . .
O7 O 0.5862(2) 0.54880(15) 0.7233(2) 0.0165(6) Uani 1 1 d . . . . .
O8 O 0.4994(2) 0.71465(15) 0.4556(2) 0.0187(6) Uani 1 1 d . . . . .
O9 O 0.6025(2) 0.52622(14) 0.5432(2) 0.0123(6) Uani 1 1 d . . . . .
O10 O 0.6469(2) 0.66358(15) 0.6270(2) 0.0189(6) Uani 1 1 d . . . . .
O11 O 0.6582(2) 0.62725(15) 0.4562(2) 0.0163(6) Uani 1 1 d . . . . .
O12 O 0.7705(2) 0.46557(15) 0.7200(2) 0.0190(6) Uani 1 1 d . . . . .
O13 O 0.8343(2) 0.58214(16) 0.6167(2) 0.0221(7) Uani 1 1 d . . . . .
O14 O 1.0267(3) 0.5931(2) 0.8436(3) 0.0496(11) Uani 1 1 d . . . . .
Mo1 Mo 0.69385(3) 0.42571(2) 0.61125(3) 0.01309(9) Uani 1 1 d . . . . .
Mo2 Mo 0.50058(3) 0.51613(2) 0.61422(2) 0.01168(8) Uani 1 1 d . . . . .
Mo3 Mo 0.56141(3) 0.64030(2) 0.51064(3) 0.01331(9) Uani 1 1 d . . . . .
Mo4 Mo 0.75535(3) 0.55025(2) 0.50182(3) 0.01616(9) Uani 1 1 d . . . . .
Ag1 Ag 0.81255(3) 0.58458(2) 0.75691(3) 0.02948(10) Uani 1 1 d . . . . .
I1 I 1.03987(3) 0.67385(2) 1.18085(2) 0.03139(10) Uani 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
C1 N1 1.326(6) . ?
C1 C2 1.384(7) . ?
C1 H1A 0.9500 . ?
C2 C3 1.375(7) . ?
C2 H2A 0.9500 . ?
C3 C4 1.364(7) . ?
C3 H3A 0.9500 . ?
C4 C5 1.396(6) . ?
C4 I1 2.087(5) . ?
C5 N1 1.337(6) . ?
C5 H5A 0.9500 . ?
C6 O14 1.247(8) . ?
C6 N3 1.306(8) . ?
C6 H6A 0.9500 . ?
C7 N3 1.443(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 N3 1.447(8) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.513(7) . ?
C9 N2 1.518(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.528(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.519(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N2 1.521(6) . ?
C13 C14 1.565(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.486(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.479(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 N2 1.520(6) . ?
C17 C18 1.519(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.516(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.518(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.515(7) . ?
C21 N2 1.523(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.517(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.497(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
N1 Ag1 2.204(4) . ?
O1 Mo1 1.698(3) . ?
O2 Mo1 1.882(3) . ?
O2 Mo4 1.935(3) . ?
O3 Mo4 1.689(3) . ?
O4 Mo2 1.951(3) . ?
O4 Mo1 2.007(3) . ?
O4 Mo3 2.325(3) 3_666 ?
O5 Mo2 1.759(3) . ?
O5 Mo4 2.224(3) 3_666 ?
O6 Mo2 1.952(3) . ?
O6 Mo3 2.008(3) . ?
O6 Mo1 2.307(3) 3_666 ?
O7 Mo2 1.688(3) . ?
O8 Mo3 1.702(3) . ?
O9 Mo2 2.139(3) . ?
O9 Mo3 2.289(3) . ?
O9 Mo1 2.309(3) . ?
O9 Mo2 2.343(3) 3_666 ?
O9 Mo4 2.506(3) . ?
O10 Mo3 1.708(3) . ?
O11 Mo3 1.884(3) . ?
O11 Mo4 1.923(3) . ?
O12 Mo1 1.715(3) . ?
O12 Ag1 2.391(3) . ?
O13 Mo4 1.726(3) . ?
O13 Ag1 2.302(3) . ?
Mo1 Mo2 3.2154(5) . ?
Mo2 Mo3 3.2015(5) . ?

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
N1 C1 C2 123.0(5) . . ?
N1 C1 H1A 118.5 . . ?
C2 C1 H1A 118.5 . . ?
C3 C2 C1 118.8(5) . . ?
C3 C2 H2A 120.6 . . ?
C1 C2 H2A 120.6 . . ?
C4 C3 C2 119.0(5) . . ?
C4 C3 H3A 120.5 . . ?
C2 C3 H3A 120.5 . . ?
C3 C4 C5 119.0(4) . . ?
C3 C4 I1 122.4(4) . . ?
C5 C4 I1 118.6(3) . . ?
N1 C5 C4 122.1(4) . . ?
N1 C5 H5A 118.9 . . ?
C4 C5 H5A 118.9 . . ?
O14 C6 N3 125.9(6) . . ?
O14 C6 H6A 117.0 . . ?
N3 C6 H6A 117.0 . . ?
N3 C7 H7A 109.5 . . ?
N3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 H8A 109.5 . . ?
N3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N2 115.7(4) . . ?
C10 C9 H9A 108.3 . . ?
N2 C9 H9A 108.3 . . ?
C10 C9 H9B 108.3 . . ?
N2 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
C9 C10 C11 111.2(4) . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C10 111.9(4) . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C10 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 114.1(4) . . ?
N2 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
N2 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C15 C14 C13 112.3(5) . . ?
C15 C14 H14A 109.2 . . ?
C13 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 C14 114.0(5) . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
C14 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 C18 115.0(4) . . ?
N2 C17 H17A 108.5 . . ?
C18 C17 H17A 108.5 . . ?
N2 C17 H17B 108.5 . . ?
C18 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C17 110.9(4) . . ?
C19 C18 H18A 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 108.0 . . ?
C18 C19 C20 110.5(4) . . ?
C18 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 N2 115.4(4) . . ?
C22 C21 H21A 108.4 . . ?
N2 C21 H21A 108.4 . . ?
C22 C21 H21B 108.4 . . ?
N2 C21 H21B 108.4 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 C23 112.2(4) . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
C23 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 114.2(5) . . ?
C24 C23 H23A 108.7 . . ?
C22 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
C22 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C1 N1 C5 118.0(4) . . ?
C1 N1 Ag1 119.3(3) . . ?
C5 N1 Ag1 122.6(3) . . ?
C9 N2 C17 106.6(3) . . ?
C9 N2 C13 110.7(4) . . ?
C17 N2 C13 110.8(4) . . ?
C9 N2 C21 110.7(3) . . ?
C17 N2 C21 110.4(3) . . ?
C13 N2 C21 107.6(4) . . ?
C6 N3 C7 122.0(6) . . ?
C6 N3 C8 121.1(5) . . ?
C7 N3 C8 116.0(5) . . ?
Mo1 O2 Mo4 117.76(15) . . ?
Mo2 O4 Mo1 108.66(13) . . ?
Mo2 O4 Mo3 109.20(12) . 3_666 ?
Mo1 O4 Mo3 104.31(12) . 3_666 ?
Mo2 O5 Mo4 118.39(15) . 3_666 ?
Mo2 O6 Mo3 107.86(13) . . ?
Mo2 O6 Mo1 110.07(13) . 3_666 ?
Mo3 O6 Mo1 104.89(12) . 3_666 ?
Mo2 O9 Mo3 92.55(10) . . ?
Mo2 O9 Mo1 92.49(10) . . ?
Mo3 O9 Mo1 162.06(14) . . ?
Mo2 O9 Mo2 104.90(11) . 3_666 ?
Mo3 O9 Mo2 97.87(10) . 3_666 ?
Mo1 O9 Mo2 97.44(10) . 3_666 ?
Mo2 O9 Mo4 165.15(14) . . ?
Mo3 O9 Mo4 85.38(9) . . ?
Mo1 O9 Mo4 85.35(9) . . ?
Mo2 O9 Mo4 89.95(9) 3_666 . ?
Mo3 O11 Mo4 117.49(15) . . ?
Mo1 O12 Ag1 130.38(16) . . ?
Mo4 O13 Ag1 132.62(17) . . ?
O1 Mo1 O12 104.15(15) . . ?
O1 Mo1 O2 102.65(14) . . ?
O12 Mo1 O2 101.04(14) . . ?
O1 Mo1 O4 98.97(13) . . ?
O12 Mo1 O4 97.10(13) . . ?
O2 Mo1 O4 147.27(12) . . ?
O1 Mo1 O6 91.40(13) . 3_666 ?
O12 Mo1 O6 162.31(12) . 3_666 ?
O2 Mo1 O6 83.36(12) . 3_666 ?
O4 Mo1 O6 71.77(11) . 3_666 ?
O1 Mo1 O9 162.99(13) . . ?
O12 Mo1 O9 92.07(12) . . ?
O2 Mo1 O9 78.81(12) . . ?
O4 Mo1 O9 73.51(11) . . ?
O6 Mo1 O9 71.83(10) 3_666 . ?
O1 Mo1 Mo2 133.88(11) . . ?
O12 Mo1 Mo2 84.13(10) . . ?
O2 Mo1 Mo2 120.47(9) . . ?
O4 Mo1 Mo2 35.10(8) . . ?
O6 Mo1 Mo2 78.96(7) 3_666 . ?
O9 Mo1 Mo2 41.66(7) . . ?
O7 Mo2 O5 105.07(14) . . ?
O7 Mo2 O4 101.39(13) . . ?
O5 Mo2 O4 96.94(13) . . ?
O7 Mo2 O6 101.00(13) . . ?
O5 Mo2 O6 96.50(13) . . ?
O4 Mo2 O6 149.82(12) . . ?
O7 Mo2 O9 98.10(13) . . ?
O5 Mo2 O9 156.83(12) . . ?
O4 Mo2 O9 78.56(11) . . ?
O6 Mo2 O9 78.48(11) . . ?
O7 Mo2 O9 173.18(13) . 3_666 ?
O5 Mo2 O9 81.74(12) . 3_666 ?
O4 Mo2 O9 77.80(11) . 3_666 ?
O6 Mo2 O9 77.57(11) . 3_666 ?
O9 Mo2 O9 75.10(11) . 3_666 ?
O7 Mo2 Mo3 89.20(10) . . ?
O5 Mo2 Mo3 133.16(9) . . ?
O4 Mo2 Mo3 124.13(9) . . ?
O6 Mo2 Mo3 36.66(9) . . ?
O9 Mo2 Mo3 45.57(7) . . ?
O9 Mo2 Mo3 85.75(7) 3_666 . ?
O7 Mo2 Mo1 89.91(10) . . ?
O5 Mo2 Mo1 133.18(9) . . ?
O4 Mo2 Mo1 36.25(9) . . ?
O6 Mo2 Mo1 124.31(9) . . ?
O9 Mo2 Mo1 45.85(7) . . ?
O9 Mo2 Mo1 85.52(7) 3_666 . ?
Mo3 Mo2 Mo1 90.108(13) . . ?
O8 Mo3 O10 104.88(15) . . ?
O8 Mo3 O11 101.21(14) . . ?
O10 Mo3 O11 101.65(14) . . ?
O8 Mo3 O6 99.25(13) . . ?
O10 Mo3 O6 97.17(13) . . ?
O11 Mo3 O6 147.46(12) . . ?
O8 Mo3 O9 162.35(13) . . ?
O10 Mo3 O9 92.23(12) . . ?
O11 Mo3 O9 79.06(11) . . ?
O6 Mo3 O9 73.89(11) . . ?
O8 Mo3 O4 90.38(12) . 3_666 ?
O10 Mo3 O4 162.42(12) . 3_666 ?
O11 Mo3 O4 83.45(12) . 3_666 ?
O6 Mo3 O4 71.35(11) . 3_666 ?
O9 Mo3 O4 72.06(10) . 3_666 ?
O8 Mo3 Mo2 134.56(11) . . ?
O10 Mo3 Mo2 83.82(10) . . ?
O11 Mo3 Mo2 120.94(9) . . ?
O6 Mo3 Mo2 35.48(8) . . ?
O9 Mo3 Mo2 41.88(7) . . ?
O4 Mo3 Mo2 79.20(7) 3_666 . ?
O3 Mo4 O13 104.78(16) . . ?
O3 Mo4 O11 104.61(15) . . ?
O13 Mo4 O11 96.64(14) . . ?
O3 Mo4 O2 104.27(15) . . ?
O13 Mo4 O2 97.18(14) . . ?
O11 Mo4 O2 143.46(12) . . ?
O3 Mo4 O5 93.58(14) . 3_666 ?
O13 Mo4 O5 161.64(14) . 3_666 ?
O11 Mo4 O5 78.37(12) . 3_666 ?
O2 Mo4 O5 77.93(12) . 3_666 ?
O3 Mo4 O9 163.51(14) . . ?
O13 Mo4 O9 91.71(13) . . ?
O11 Mo4 O9 72.94(11) . . ?
O2 Mo4 O9 72.98(11) . . ?
O5 Mo4 O9 69.92(10) 3_666 . ?
N1 Ag1 O13 152.72(13) . . ?
N1 Ag1 O12 124.32(13) . . ?
O13 Ag1 O12 82.96(11) . . ?

_refine_diff_density_max         2.943
_refine_diff_density_min         -2.192
_refine_diff_density_rms         0.156

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
####################################################################### 
# 
# 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_12
_database_code_depnum_ccdc_archive 'CCDC 1959373'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H70 Ag2 Mo6 N8 O25 P2'
_chemical_formula_weight         2060.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3665(4)
_cell_length_b                   12.0432(4)
_cell_length_c                   12.7074(4)
_cell_angle_alpha                94.658(3)
_cell_angle_beta                 90.989(3)
_cell_angle_gamma                95.871(3)
_cell_volume                     1724.09(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    7726
_cell_measurement_theta_min      3.6700
_cell_measurement_theta_max      29.4100

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_F_000             1014
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.737
_shelx_estimated_absorpt_T_min   0.701
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.92163
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            13177
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.515
_diffrn_reflns_theta_max         29.429
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.828
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7909
_reflns_number_gt                7078
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0215P)²+0.4633P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7909
_refine_ls_number_parameters     431
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0237
_refine_ls_wR_factor_ref         0.0562
_refine_ls_wR_factor_gt          0.0541
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.6748(2) 0.0125(2) 0.78495(16) 0.0144(5) Uani 1 1 d . . . . .
C2 C 0.7142(2) 0.0858(2) 0.87125(17) 0.0187(5) Uani 1 1 d . . . . .
H2 H 0.701205 0.162577 0.872767 0.022 Uiso 1 1 calc R U . . .
C3 C 0.7728(2) 0.0466(2) 0.95551(18) 0.0239(6) Uani 1 1 d . . . . .
H3 H 0.801122 0.096916 1.013992 0.029 Uiso 1 1 calc R U . . .
C4 C 0.7897(2) -0.0647(2) 0.95437(19) 0.0256(6) Uani 1 1 d . . . . .
H4 H 0.829119 -0.091074 1.012472 0.031 Uiso 1 1 calc R U . . .
C5 C 0.7496(2) -0.1391(2) 0.8690(2) 0.0271(6) Uani 1 1 d . . . . .
H5 H 0.761271 -0.216173 0.868692 0.033 Uiso 1 1 calc R U . . .
C6 C 0.6924(2) -0.1000(2) 0.78415(18) 0.0210(5) Uani 1 1 d . . . . .
H6 H 0.665210 -0.150378 0.725319 0.025 Uiso 1 1 calc R U . . .
C7 C 0.7159(2) 0.1424(2) 0.60438(17) 0.0147(5) Uani 1 1 d . . . . .
C8 C 0.8237(2) 0.1844(2) 0.65053(19) 0.0230(6) Uani 1 1 d . . . . .
H8 H 0.845773 0.163868 0.718161 0.028 Uiso 1 1 calc R U . . .
C9 C 0.8996(2) 0.2568(2) 0.59748(19) 0.0261(6) Uani 1 1 d . . . . .
H9 H 0.973991 0.286932 0.628221 0.031 Uiso 1 1 calc R U . . .
C10 C 0.8649(2) 0.2842(2) 0.49908(19) 0.0227(6) Uani 1 1 d . . . . .
H10 H 0.914113 0.335175 0.461601 0.027 Uiso 1 1 calc R U . . .
C11 C 0.7573(2) 0.2362(2) 0.45606(18) 0.0199(5) Uani 1 1 d . . . . .
H11 H 0.734942 0.253278 0.387285 0.024 Uiso 1 1 calc R U . . .
C12 C 0.5066(2) 0.1627(2) 0.72018(16) 0.0149(5) Uani 1 1 d . . . . .
C13 C 0.5464(2) 0.2760(2) 0.73634(18) 0.0200(5) Uani 1 1 d . . . . .
H13 H 0.625873 0.301257 0.721483 0.024 Uiso 1 1 calc R U . . .
C14 C 0.4707(2) 0.3519(2) 0.77397(19) 0.0240(6) Uani 1 1 d . . . . .
H14 H 0.498208 0.429306 0.784122 0.029 Uiso 1 1 calc R U . . .
C15 C 0.3551(2) 0.3160(2) 0.79698(19) 0.0235(6) Uani 1 1 d . . . . .
H15 H 0.303467 0.368402 0.823277 0.028 Uiso 1 1 calc R U . . .
C16 C 0.3152(2) 0.2036(2) 0.7815(2) 0.0253(6) Uani 1 1 d . . . . .
H16 H 0.236132 0.178455 0.797557 0.030 Uiso 1 1 calc R U . . .
C17 C 0.3907(2) 0.1270(2) 0.74236(18) 0.0206(5) Uani 1 1 d . . . . .
H17 H 0.362585 0.049871 0.730814 0.025 Uiso 1 1 calc R U . . .
C18 C 0.2143(3) 0.4216(3) 0.5655(2) 0.0390(8) Uani 1 1 d . . . . .
H18A H 0.193141 0.358421 0.607859 0.059 Uiso 1 1 calc R U . . .
H18B H 0.146242 0.433360 0.520857 0.059 Uiso 1 1 calc R U . . .
H18C H 0.236982 0.489341 0.612421 0.059 Uiso 1 1 calc R U . . .
C19 C 0.3530(4) 0.4802(3) 0.4279(3) 0.0622(12) Uani 1 1 d . . . . .
H19A H 0.427209 0.460995 0.396578 0.093 Uiso 1 1 calc R U . . .
H19B H 0.366047 0.554235 0.466907 0.093 Uiso 1 1 calc R U . . .
H19C H 0.292982 0.481528 0.371823 0.093 Uiso 1 1 calc R U . . .
C20 C 0.3584(2) 0.3012(2) 0.49936(19) 0.0225(6) Uani 1 1 d . . . . .
H20 H 0.325983 0.248869 0.545854 0.027 Uiso 1 1 calc R U . . .
C21 C 0.5855(2) 0.1562(2) 0.1588(2) 0.0241(6) Uani 1 1 d . . . . .
H21 H 0.581927 0.095291 0.106034 0.029 Uiso 1 1 calc R U . . .
C22 C 0.5517(3) 0.3479(2) 0.2065(2) 0.0285(6) Uani 1 1 d . . . . .
H22A H 0.580316 0.329064 0.275311 0.043 Uiso 1 1 calc R U . . .
H22B H 0.470978 0.369180 0.212748 0.043 Uiso 1 1 calc R U . . .
H22C H 0.603547 0.410615 0.182813 0.043 Uiso 1 1 calc R U . . .
C23 C 0.5121(3) 0.2667(3) 0.0235(2) 0.0412(8) Uani 1 1 d . . . . .
H23A H 0.509206 0.195301 -0.019805 0.062 Uiso 1 1 calc R U . . .
H23B H 0.567320 0.322580 -0.006992 0.062 Uiso 1 1 calc R U . . .
H23C H 0.433055 0.292441 0.025249 0.062 Uiso 1 1 calc R U . . .
C24 C 0.0696(3) 0.1696(3) 0.3548(2) 0.0404(8) Uani 1 1 d . . . . .
H24 H 0.100726 0.226914 0.312824 0.048 Uiso 1 1 calc R U . . .
C25 C -0.0744(3) 0.0101(3) 0.3719(3) 0.0517(10) Uani 1 1 d . . . . .
H25A H -0.042385 -0.060609 0.350639 0.078 Uiso 1 1 calc R U . . .
H25B H -0.159940 0.002026 0.357093 0.078 Uiso 1 1 calc R U . . .
H25C H -0.059095 0.029325 0.447613 0.078 Uiso 1 1 calc DR U . . .
C26 C -0.0627(3) 0.1011(3) 0.2068(2) 0.0418(8) Uani 1 1 d . . . . .
H26A H -0.018411 0.162400 0.173329 0.063 Uiso 1 1 calc R U . . .
H26B H -0.146670 0.113125 0.208140 0.063 Uiso 1 1 calc R U . . .
H26C H -0.053436 0.029834 0.166399 0.063 Uiso 1 1 calc R U . . .
N1 N 0.55188(19) 0.25169(19) 0.13045(15) 0.0231(5) Uani 1 1 d . . . . .
N2 N 0.68301(17) 0.16670(17) 0.50707(14) 0.0153(4) Uani 1 1 d . . . . .
N3 N -0.0181(2) 0.0983(2) 0.31299(17) 0.0309(6) Uani 1 1 d . . . . .
N4 N 0.3127(2) 0.39748(19) 0.49939(17) 0.0269(5) Uani 1 1 d . . . . .
O1 O 1.07158(15) 0.41890(14) 0.81451(12) 0.0183(4) Uani 1 1 d . . . . .
O2 O 1.15595(18) 0.63191(16) 0.75297(13) 0.0294(4) Uani 1 1 d . . . . .
O3 O 1.22161(15) 0.54741(15) 0.94514(13) 0.0206(4) Uani 1 1 d . . . . .
O4 O 0.92494(15) 0.57721(15) 0.82456(12) 0.0211(4) Uani 1 1 d . . . . .
O5 O 1.000000 0.500000 1.000000 0.0122(5) Uani 1 2 d S . P . .
O6 O 1.07547(15) 0.70475(14) 0.95460(12) 0.0193(4) Uani 1 1 d . . . . .
O7 O 0.99209(16) 0.80715(15) 1.14390(13) 0.0218(4) Uani 1 1 d . . . . .
O8 O 0.85032(15) 0.65593(14) 1.00706(12) 0.0188(4) Uani 1 1 d . . . . .
O9 O 0.85206(15) 0.36748(15) 0.86915(12) 0.0202(4) Uani 1 1 d . . . . .
O10 O 0.68420(16) 0.52270(17) 0.86574(14) 0.0309(5) Uani 1 1 d . . . . .
O11 O 0.44003(18) 0.27408(16) 0.44345(14) 0.0295(4) Uani 1 1 d . . . . .
O12 O 0.62078(16) 0.13967(15) 0.24694(13) 0.0249(4) Uani 1 1 d . . . . .
O13 O 0.1145(2) 0.1683(2) 0.44335(18) 0.0602(7) Uani 1 1 d . . . . .
Mo1 Mo 1.09099(2) 0.57585(2) 0.85701(2) 0.01957(6) Uani 1 1 d . . . . .
Mo2 Mo 0.99247(2) 0.67863(2) 1.08117(2) 0.01510(5) Uani 1 1 d . . . . .
Mo3 Mo 0.81697(2) 0.50804(2) 0.92027(2) 0.01841(6) Uani 1 1 d . . . . .
Ag1 Ag 0.51078(2) 0.09444(2) 0.42835(2) 0.01622(5) Uani 1 1 d . . . . .
P1 P 0.60090(5) 0.05718(5) 0.66994(4) 0.01287(12) Uani 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
C1 C2 1.388(3) . ?
C1 C6 1.389(3) . ?
C1 P1 1.819(2) . ?
C2 C3 1.391(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.372(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 N2 1.349(3) . ?
C7 C8 1.379(3) . ?
C7 P1 1.833(2) . ?
C8 C9 1.386(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.380(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(4) . ?
C10 H10 0.9500 . ?
C11 N2 1.340(3) . ?
C11 H11 0.9500 . ?
C12 C17 1.384(3) . ?
C12 C13 1.391(3) . ?
C12 P1 1.828(2) . ?
C13 C14 1.382(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.391(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 N4 1.449(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 N4 1.448(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 O11 1.233(3) . ?
C20 N4 1.318(3) . ?
C20 H20 0.9500 . ?
C21 O12 1.222(3) . ?
C21 N1 1.323(3) . ?
C21 H21 0.9500 . ?
C22 N1 1.447(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 N1 1.456(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 O13 1.229(4) . ?
C24 N3 1.322(4) . ?
C24 H24 0.9500 . ?
C25 N3 1.451(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 N3 1.438(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
N2 Ag1 2.243(2) . ?
O1 Mo1 1.9126(17) . ?
O1 Mo2 1.9438(16) 2_767 ?
O2 Mo1 1.6809(17) . ?
O3 Mo1 1.9195(17) . ?
O3 Mo3 1.9274(16) 2_767 ?
O4 Mo3 1.9199(17) . ?
O4 Mo1 1.9270(17) . ?
O5 Mo1 2.3123(2) 2_767 ?
O5 Mo1 2.3124(2) . ?
O5 Mo3 2.3126(2) 2_767 ?
O5 Mo3 2.3126(2) . ?
O5 Mo2 2.3193(2) . ?
O5 Mo2 2.3193(2) 2_767 ?
O6 Mo2 1.9105(16) . ?
O6 Mo1 1.9313(16) . ?
O7 Mo2 1.6830(17) . ?
O8 Mo2 1.8405(16) . ?
O8 Mo3 2.0151(17) . ?
O9 Mo3 1.8479(17) . ?
O9 Mo2 2.0122(16) 2_767 ?
O10 Mo3 1.6814(17) . ?
O11 Ag1 2.3786(18) . ?
Ag1 P1 2.3678(6) 2_656 ?
Ag1 Ag1 3.0207(4) 2_656 ?

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
C2 C1 C6 119.7(2) . . ?
C2 C1 P1 122.84(18) . . ?
C6 C1 P1 117.45(17) . . ?
C1 C2 C3 119.9(2) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.6(2) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 119.4(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 120.3(2) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
N2 C7 C8 122.0(2) . . ?
N2 C7 P1 113.54(17) . . ?
C8 C7 P1 124.34(18) . . ?
C7 C8 C9 119.5(2) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 118.7(2) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
C9 C10 C11 118.8(2) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 H10 120.6 . . ?
N2 C11 C10 122.9(2) . . ?
N2 C11 H11 118.5 . . ?
C10 C11 H11 118.5 . . ?
C17 C12 C13 119.3(2) . . ?
C17 C12 P1 117.87(19) . . ?
C13 C12 P1 122.83(19) . . ?
C14 C13 C12 120.2(2) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 120.5(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.6(2) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.1(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 120.3(2) . . ?
C12 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
N4 C18 H18A 109.5 . . ?
N4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 H19A 109.5 . . ?
N4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O11 C20 N4 124.8(2) . . ?
O11 C20 H20 117.6 . . ?
N4 C20 H20 117.6 . . ?
O12 C21 N1 125.6(2) . . ?
O12 C21 H21 117.2 . . ?
N1 C21 H21 117.2 . . ?
N1 C22 H22A 109.5 . . ?
N1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O13 C24 N3 125.7(3) . . ?
O13 C24 H24 117.2 . . ?
N3 C24 H24 117.2 . . ?
N3 C25 H25A 109.5 . . ?
N3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 N1 C22 120.8(2) . . ?
C21 N1 C23 123.1(2) . . ?
C22 N1 C23 116.1(2) . . ?
C11 N2 C7 118.1(2) . . ?
C11 N2 Ag1 119.38(15) . . ?
C7 N2 Ag1 122.54(16) . . ?
C24 N3 C26 122.9(3) . . ?
C24 N3 C25 121.5(3) . . ?
C26 N3 C25 115.6(3) . . ?
C20 N4 C19 121.4(2) . . ?
C20 N4 C18 121.4(2) . . ?
C19 N4 C18 117.1(2) . . ?
Mo1 O1 Mo2 116.31(7) . 2_767 ?
Mo1 O3 Mo3 116.52(8) . 2_767 ?
Mo3 O4 Mo1 116.38(8) . . ?
Mo1 O5 Mo1 180.0 2_767 . ?
Mo1 O5 Mo3 89.954(8) 2_767 2_767 ?
Mo1 O5 Mo3 90.045(9) . 2_767 ?
Mo1 O5 Mo3 90.046(8) 2_767 . ?
Mo1 O5 Mo3 89.954(9) . . ?
Mo3 O5 Mo3 180.0 2_767 . ?
Mo1 O5 Mo2 90.029(8) 2_767 . ?
Mo1 O5 Mo2 89.972(8) . . ?
Mo3 O5 Mo2 90.045(8) 2_767 . ?
Mo3 O5 Mo2 89.954(8) . . ?
Mo1 O5 Mo2 89.971(8) 2_767 2_767 ?
Mo1 O5 Mo2 90.028(8) . 2_767 ?
Mo3 O5 Mo2 89.955(8) 2_767 2_767 ?
Mo3 O5 Mo2 90.046(8) . 2_767 ?
Mo2 O5 Mo2 179.999(12) . 2_767 ?
Mo2 O6 Mo1 116.92(9) . . ?
Mo2 O8 Mo3 116.16(8) . . ?
Mo3 O9 Mo2 116.11(8) . 2_767 ?
C20 O11 Ag1 125.55(18) . . ?
O2 Mo1 O1 103.28(8) . . ?
O2 Mo1 O3 103.82(9) . . ?
O1 Mo1 O3 87.36(7) . . ?
O2 Mo1 O4 102.88(8) . . ?
O1 Mo1 O4 87.48(7) . . ?
O3 Mo1 O4 153.28(7) . . ?
O2 Mo1 O6 103.32(8) . . ?
O1 Mo1 O6 153.40(7) . . ?
O3 Mo1 O6 86.62(7) . . ?
O4 Mo1 O6 86.36(7) . . ?
O2 Mo1 O5 179.37(7) . . ?
O1 Mo1 O5 77.08(5) . . ?
O3 Mo1 O5 76.69(5) . . ?
O4 Mo1 O5 76.61(5) . . ?
O6 Mo1 O5 76.32(5) . . ?
O7 Mo2 O8 104.07(8) . . ?
O7 Mo2 O6 104.03(8) . . ?
O8 Mo2 O6 90.95(7) . . ?
O7 Mo2 O1 102.78(8) . 2_767 ?
O8 Mo2 O1 90.01(7) . 2_767 ?
O6 Mo2 O1 152.07(7) . 2_767 ?
O7 Mo2 O9 102.13(8) . 2_767 ?
O8 Mo2 O9 153.78(7) . 2_767 ?
O6 Mo2 O9 83.67(7) . 2_767 ?
O1 Mo2 O9 83.23(7) 2_767 2_767 ?
O7 Mo2 O5 177.35(6) . . ?
O8 Mo2 O5 78.47(5) . . ?
O6 Mo2 O5 76.53(5) . . ?
O1 Mo2 O5 76.33(5) 2_767 . ?
O9 Mo2 O5 75.32(5) 2_767 . ?
O10 Mo3 O9 105.25(8) . . ?
O10 Mo3 O4 102.68(9) . . ?
O9 Mo3 O4 90.86(8) . . ?
O10 Mo3 O3 103.55(9) . 2_767 ?
O9 Mo3 O3 90.34(7) . 2_767 ?
O4 Mo3 O3 152.43(7) . 2_767 ?
O10 Mo3 O8 100.82(8) . . ?
O9 Mo3 O8 153.93(7) . . ?
O4 Mo3 O8 83.51(7) . . ?
O3 Mo3 O8 83.40(7) 2_767 . ?
O10 Mo3 O5 176.21(7) . . ?
O9 Mo3 O5 78.53(5) . . ?
O4 Mo3 O5 76.73(5) . . ?
O3 Mo3 O5 76.54(5) 2_767 . ?
O8 Mo3 O5 75.41(5) . . ?
N2 Ag1 P1 148.81(5) . 2_656 ?
N2 Ag1 O11 90.46(7) . . ?
P1 Ag1 O11 119.86(5) 2_656 . ?
N2 Ag1 Ag1 91.37(5) . 2_656 ?
P1 Ag1 Ag1 74.401(16) 2_656 2_656 ?
O11 Ag1 Ag1 131.56(4) . 2_656 ?
C1 P1 C12 106.13(10) . . ?
C1 P1 C7 105.08(11) . . ?
C12 P1 C7 101.74(11) . . ?
C1 P1 Ag1 111.96(8) . 2_656 ?
C12 P1 Ag1 111.39(8) . 2_656 ?
C7 P1 Ag1 119.33(8) . 2_656 ?

_refine_diff_density_max         0.822
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.088

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
####################################################################### 
# 
# 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_10
_database_code_depnum_ccdc_archive 'CCDC 1959371'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H108 Ag2 Mo8 N6 O28'
_chemical_formula_weight         2272.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1580(4)
_cell_length_b                   14.8963(5)
_cell_length_c                   19.5225(6)
_cell_angle_alpha                88.701(2)
_cell_angle_beta                 71.414(3)
_cell_angle_gamma                82.710(2)
_cell_volume                     3870.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    11340
_cell_measurement_theta_min      2.1610
_cell_measurement_theta_max      29.1920

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_F_000             2256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    1.821
_shelx_estimated_absorpt_T_min   0.639
_shelx_estimated_absorpt_T_max   0.947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.72804
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            34496
_diffrn_reflns_av_unetI/netI     0.0593
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.976
_diffrn_reflns_theta_max         29.528
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18050
_reflns_number_gt                13890
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0251P)²+0.9570P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18050
_refine_ls_number_parameters     883
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.0771
_refine_ls_wR_factor_gt          0.0694
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.0221(3) 0.7666(4) 0.0034(3) 0.0477(14) Uani 1 1 d . . . . .
H1A H -0.050021 0.787668 0.018078 0.072 Uiso 1 1 calc R U . . .
H1B H 0.035081 0.706241 -0.019081 0.072 Uiso 1 1 calc R U . . .
H1C H 0.044726 0.763824 0.046051 0.072 Uiso 1 1 calc R U . . .
C2 C 0.0781(3) 0.8309(3) -0.0496(2) 0.0352(11) Uani 1 1 d . . . . .
C3 C 0.0309(4) 0.9063(4) -0.0732(3) 0.0493(14) Uani 1 1 d . . . . .
H3A H -0.040058 0.919755 -0.054105 0.059 Uiso 1 1 calc R U . . .
C4 C 0.0851(4) 0.9632(4) -0.1244(3) 0.0453(13) Uani 1 1 d . . . . .
C5 C 0.0353(5) 1.0460(4) -0.1511(3) 0.074(2) Uani 1 1 d . . . . .
H5A H -0.037426 1.051699 -0.126890 0.112 Uiso 1 1 calc R U . . .
H5B H 0.061550 1.099923 -0.140336 0.112 Uiso 1 1 calc R U . . .
H5C H 0.049439 1.040192 -0.203424 0.112 Uiso 1 1 calc R U . . .
C6 C 0.1882(3) 0.9398(3) -0.1503(2) 0.0356(11) Uani 1 1 d . . . . .
H6A H 0.228371 0.975449 -0.186226 0.043 Uiso 1 1 calc R U . . .
C7 C 0.2330(3) 0.8649(3) -0.1241(2) 0.0269(10) Uani 1 1 d . . . . .
C8 C 0.3442(3) 0.8422(3) -0.1479(2) 0.0375(12) Uani 1 1 d . . . . .
H8A H 0.375014 0.886110 -0.183608 0.056 Uiso 1 1 calc R U . . .
H8B H 0.368089 0.844382 -0.106148 0.056 Uiso 1 1 calc R U . . .
H8C H 0.362835 0.781275 -0.169761 0.056 Uiso 1 1 calc R U . . .
C9 C 0.6654(3) -0.3166(3) 0.2781(2) 0.0295(10) Uani 1 1 d . . . . .
H9A H 0.631875 -0.356167 0.256537 0.044 Uiso 1 1 calc R U . . .
H9B H 0.647555 -0.327008 0.330178 0.044 Uiso 1 1 calc R U . . .
H9C H 0.643799 -0.253210 0.269932 0.044 Uiso 1 1 calc R U . . .
C10 C 0.7771(3) -0.3369(3) 0.2439(2) 0.0217(9) Uani 1 1 d . . . . .
C11 C 0.8184(3) -0.4042(3) 0.1913(2) 0.0240(9) Uani 1 1 d . . . . .
H11A H 0.775650 -0.437911 0.176275 0.029 Uiso 1 1 calc R U . . .
C12 C 0.9215(3) -0.4226(3) 0.1603(2) 0.0258(10) Uani 1 1 d . . . . .
C13 C 0.9671(3) -0.4959(4) 0.1037(2) 0.0411(13) Uani 1 1 d . . . . .
H13A H 0.913549 -0.524425 0.094469 0.062 Uiso 1 1 calc R U . . .
H13B H 1.007123 -0.469751 0.059036 0.062 Uiso 1 1 calc R U . . .
H13C H 1.010357 -0.541495 0.120769 0.062 Uiso 1 1 calc R U . . .
C14 C 0.9793(3) -0.3710(3) 0.1841(2) 0.0255(9) Uani 1 1 d . . . . .
H14A H 1.050360 -0.380551 0.163303 0.031 Uiso 1 1 calc R U . . .
C15 C 0.9359(3) -0.3056(3) 0.2377(2) 0.0224(9) Uani 1 1 d . . . . .
C16 C 0.9984(3) -0.2522(3) 0.2664(2) 0.0367(11) Uani 1 1 d . . . . .
H16A H 1.069715 -0.270825 0.240768 0.055 Uiso 1 1 calc R U . . .
H16B H 0.981741 -0.187582 0.259131 0.055 Uiso 1 1 calc R U . . .
H16C H 0.984568 -0.263303 0.318163 0.055 Uiso 1 1 calc R U . . .
C17 C 0.7204(3) 0.1005(3) 0.70040(19) 0.0206(9) Uani 1 1 d . . . . .
H17A H 0.718032 0.040475 0.723258 0.025 Uiso 1 1 calc R U . . .
H17B H 0.696243 0.097270 0.658293 0.025 Uiso 1 1 calc R U . . .
C18 C 0.8291(3) 0.1202(3) 0.6736(2) 0.0259(9) Uani 1 1 d . . . . .
H18A H 0.857827 0.113739 0.713831 0.031 Uiso 1 1 calc R U . . .
H18B H 0.831738 0.183164 0.656534 0.031 Uiso 1 1 calc R U . . .
C19 C 0.8908(3) 0.0546(3) 0.6120(2) 0.0313(11) Uani 1 1 d . . . . .
H19A H 0.876069 -0.007711 0.625779 0.038 Uiso 1 1 calc R U . . .
H19B H 0.870974 0.069882 0.568497 0.038 Uiso 1 1 calc R U . . .
C20 C 1.0029(3) 0.0581(4) 0.5942(2) 0.0417(13) Uani 1 1 d . . . . .
H20A H 1.039920 0.015296 0.554514 0.063 Uiso 1 1 calc R U . . .
H20B H 1.018018 0.119491 0.579630 0.063 Uiso 1 1 calc R U . . .
H20C H 1.023111 0.041933 0.636885 0.063 Uiso 1 1 calc R U . . .
C21 C 0.6856(3) 0.1840(3) 0.8182(2) 0.0220(9) Uani 1 1 d . . . . .
H21A H 0.638200 0.231062 0.851034 0.026 Uiso 1 1 calc R U . . .
H21B H 0.751701 0.206683 0.800126 0.026 Uiso 1 1 calc R U . . .
C22 C 0.6960(3) 0.0986(3) 0.8615(2) 0.0257(9) Uani 1 1 d . . . . .
H22A H 0.629122 0.078244 0.883557 0.031 Uiso 1 1 calc R U . . .
H22B H 0.739859 0.049682 0.828683 0.031 Uiso 1 1 calc R U . . .
C23 C 0.7403(3) 0.1163(3) 0.9205(2) 0.0294(10) Uani 1 1 d . . . . .
H23A H 0.695891 0.164615 0.953745 0.035 Uiso 1 1 calc R U . . .
H23B H 0.806715 0.137512 0.898519 0.035 Uiso 1 1 calc R U . . .
C24 C 0.7520(3) 0.0305(3) 0.9630(2) 0.0350(11) Uani 1 1 d . . . . .
H24A H 0.780646 0.043424 1.000725 0.053 Uiso 1 1 calc R U . . .
H24B H 0.686073 0.010083 0.985357 0.053 Uiso 1 1 calc R U . . .
H24C H 0.796749 -0.016984 0.930205 0.053 Uiso 1 1 calc R U . . .
C25 C 0.5481(3) 0.1343(3) 0.7797(2) 0.0224(9) Uani 1 1 d . . . . .
H25A H 0.523028 0.133733 0.737781 0.027 Uiso 1 1 calc R U . . .
H25B H 0.559517 0.070664 0.793901 0.027 Uiso 1 1 calc R U . . .
C26 C 0.4658(3) 0.1842(3) 0.8417(2) 0.0254(9) Uani 1 1 d . . . . .
H26A H 0.446000 0.245641 0.826556 0.030 Uiso 1 1 calc R U . . .
H26B H 0.490598 0.190145 0.883178 0.030 Uiso 1 1 calc R U . . .
C27 C 0.3756(3) 0.1315(3) 0.8638(2) 0.0300(10) Uani 1 1 d . . . . .
H27A H 0.356945 0.119596 0.820425 0.036 Uiso 1 1 calc R U . . .
H27B H 0.395064 0.072310 0.882835 0.036 Uiso 1 1 calc R U . . .
C28 C 0.2854(3) 0.1795(4) 0.9199(2) 0.0395(12) Uani 1 1 d . . . . .
H28A H 0.230398 0.142137 0.931658 0.059 Uiso 1 1 calc R U . . .
H28B H 0.302582 0.190259 0.963640 0.059 Uiso 1 1 calc R U . . .
H28C H 0.264423 0.237595 0.901164 0.059 Uiso 1 1 calc R U . . .
C29 C 0.6405(3) 0.2623(3) 0.7197(2) 0.0214(9) Uani 1 1 d . . . . .
H29A H 0.588820 0.303852 0.755249 0.026 Uiso 1 1 calc R U . . .
H29B H 0.705345 0.286779 0.709872 0.026 Uiso 1 1 calc R U . . .
C30 C 0.6143(3) 0.2644(3) 0.6501(2) 0.0227(9) Uani 1 1 d . . . . .
H30A H 0.548865 0.241559 0.658835 0.027 Uiso 1 1 calc R U . . .
H30B H 0.666038 0.224487 0.613204 0.027 Uiso 1 1 calc R U . . .
C31 C 0.6088(3) 0.3608(3) 0.6225(2) 0.0262(9) Uani 1 1 d . . . . .
H31A H 0.558354 0.400443 0.660329 0.031 Uiso 1 1 calc R U . . .
H31B H 0.674710 0.382751 0.613514 0.031 Uiso 1 1 calc R U . . .
C32 C 0.5808(3) 0.3681(3) 0.5534(2) 0.0308(10) Uani 1 1 d . . . . .
H32A H 0.578217 0.431220 0.538089 0.046 Uiso 1 1 calc R U . . .
H32B H 0.631195 0.330059 0.515420 0.046 Uiso 1 1 calc R U . . .
H32C H 0.514805 0.347756 0.562249 0.046 Uiso 1 1 calc R U . . .
C33 C 1.0257(5) 0.1963(5) 0.4271(4) 0.091(2) Uani 1 1 d . . . . .
H33A H 0.990151 0.178469 0.394902 0.137 Uiso 1 1 calc R U . . .
H33B H 1.086212 0.221957 0.398513 0.137 Uiso 1 1 calc R U . . .
H33C H 1.044684 0.143073 0.452487 0.137 Uiso 1 1 calc R U . . .
C34 C 0.8621(4) 0.2815(5) 0.4760(3) 0.0699(19) Uani 1 1 d . . . . .
H34A H 0.856588 0.248544 0.434843 0.105 Uiso 1 1 calc R U . . .
H34B H 0.814879 0.262047 0.520842 0.105 Uiso 1 1 calc R U . . .
H34C H 0.846070 0.346606 0.470338 0.105 Uiso 1 1 calc R U . . .
C35 C 0.3045(3) 0.3145(3) 0.4007(2) 0.0279(10) Uani 1 1 d . . . . .
H35A H 0.347255 0.263070 0.413108 0.033 Uiso 1 1 calc R U . . .
H35B H 0.235650 0.297738 0.413340 0.033 Uiso 1 1 calc R U . . .
C36 C 0.3022(4) 0.3969(3) 0.4467(2) 0.0354(11) Uani 1 1 d . . . . .
H36A H 0.371443 0.411280 0.437688 0.042 Uiso 1 1 calc R U . . .
H36B H 0.262816 0.449858 0.432909 0.042 Uiso 1 1 calc R U . . .
C37 C 0.2554(3) 0.3786(3) 0.5263(2) 0.0343(11) Uani 1 1 d . . . . .
H37A H 0.183549 0.372105 0.536329 0.041 Uiso 1 1 calc R U . . .
H37B H 0.289104 0.320917 0.538456 0.041 Uiso 1 1 calc R U . . .
C38 C 0.2648(4) 0.4545(3) 0.5734(2) 0.0410(12) Uani 1 1 d . . . . .
H38A H 0.233934 0.440762 0.624455 0.061 Uiso 1 1 calc R U . . .
H38B H 0.335904 0.460317 0.564215 0.061 Uiso 1 1 calc R U . . .
H38C H 0.230440 0.511462 0.562089 0.061 Uiso 1 1 calc R U . . .
C39 C 0.2783(3) 0.4041(3) 0.2966(2) 0.0301(10) Uani 1 1 d . . . . .
H39A H 0.301485 0.406393 0.243155 0.036 Uiso 1 1 calc R U . . .
H39B H 0.288097 0.462317 0.315200 0.036 Uiso 1 1 calc R U . . .
C40 C 0.1665(3) 0.3952(4) 0.3224(3) 0.0419(12) Uani 1 1 d . . . . .
H40A H 0.156094 0.336699 0.304681 0.050 Uiso 1 1 calc R U . . .
H40B H 0.142168 0.394915 0.375910 0.050 Uiso 1 1 calc R U . . .
C41 C 0.1056(3) 0.4711(4) 0.2965(3) 0.0430(13) Uani 1 1 d . . . . .
H41A H 0.122680 0.466127 0.243352 0.052 Uiso 1 1 calc R U . . .
H41B H 0.123139 0.529946 0.308151 0.052 Uiso 1 1 calc R U . . .
C42 C -0.0057(4) 0.4684(4) 0.3313(3) 0.0649(18) Uani 1 1 d . . . . .
H42A H -0.043044 0.518338 0.313499 0.097 Uiso 1 1 calc R U . . .
H42B H -0.023312 0.410659 0.319159 0.097 Uiso 1 1 calc R U . . .
H42C H -0.022853 0.474423 0.383903 0.097 Uiso 1 1 calc R U . . .
C43 C 0.3429(3) 0.2388(3) 0.2837(2) 0.0269(9) Uani 1 1 d . . . . .
H43A H 0.387477 0.191864 0.299179 0.032 Uiso 1 1 calc R U . . .
H43B H 0.273961 0.221850 0.302251 0.032 Uiso 1 1 calc R U . . .
C44 C 0.3751(3) 0.2366(3) 0.2017(2) 0.0279(10) Uani 1 1 d . . . . .
H44A H 0.443245 0.254964 0.181900 0.034 Uiso 1 1 calc R U . . .
H44B H 0.328377 0.279882 0.185044 0.034 Uiso 1 1 calc R U . . .
C45 C 0.3753(3) 0.1414(3) 0.1743(2) 0.0318(10) Uani 1 1 d . . . . .
H45A H 0.420857 0.098361 0.192323 0.038 Uiso 1 1 calc R U . . .
H45B H 0.306838 0.123748 0.194187 0.038 Uiso 1 1 calc R U . . .
C46 C 0.4086(4) 0.1337(3) 0.0923(2) 0.0363(11) Uani 1 1 d . . . . .
H46A H 0.407262 0.071438 0.077794 0.054 Uiso 1 1 calc R U . . .
H46B H 0.362886 0.175068 0.074055 0.054 Uiso 1 1 calc R U . . .
H46C H 0.476963 0.149668 0.072190 0.054 Uiso 1 1 calc R U . . .
C47 C 0.4496(3) 0.3552(3) 0.2975(2) 0.0283(10) Uani 1 1 d . . . . .
H47A H 0.474826 0.358811 0.244200 0.034 Uiso 1 1 calc R U . . .
H47B H 0.445854 0.416441 0.317564 0.034 Uiso 1 1 calc R U . . .
C48 C 0.5253(3) 0.2918(4) 0.3218(2) 0.0380(12) Uani 1 1 d . . . . .
H48A H 0.502424 0.290086 0.375230 0.046 Uiso 1 1 calc R U . . .
H48B H 0.528088 0.229893 0.303237 0.046 Uiso 1 1 calc R U . . .
C49 C 0.6297(3) 0.3204(4) 0.2956(3) 0.0412(12) Uani 1 1 d . . . . .
H49A H 0.677026 0.272808 0.307682 0.049 Uiso 1 1 calc R U . . .
H49B H 0.650885 0.325008 0.242293 0.049 Uiso 1 1 calc R U . . .
C50 C 0.6374(5) 0.4081(5) 0.3270(3) 0.0702(19) Uani 1 1 d . . . . .
H50A H 0.706650 0.422221 0.307684 0.105 Uiso 1 1 calc R U . . .
H50B H 0.592202 0.456158 0.314194 0.105 Uiso 1 1 calc R U . . .
H50C H 0.618377 0.403890 0.379669 0.105 Uiso 1 1 calc R U . . .
C51 C 0.1179(4) 0.2459(5) 0.1555(3) 0.080(2) Uani 1 1 d . . . . .
H51A H 0.097089 0.305229 0.138624 0.120 Uiso 1 1 calc R U . . .
H51B H 0.168167 0.251708 0.179419 0.120 Uiso 1 1 calc R U . . .
H51C H 0.147014 0.203697 0.114199 0.120 Uiso 1 1 calc R U . . .
C52 C -0.0670(4) 0.2630(5) 0.2176(3) 0.0665(18) Uani 1 1 d . . . . .
H52A H -0.058656 0.319617 0.191079 0.100 Uiso 1 1 calc R U . . .
H52B H -0.108501 0.227667 0.199868 0.100 Uiso 1 1 calc R U . . .
H52C H -0.099712 0.276723 0.269276 0.100 Uiso 1 1 calc R U . . .
C53 C 0.0407(4) 0.1309(5) 0.2373(3) 0.0644(18) Uani 1 1 d . . . . .
H53A H -0.018726 0.110132 0.268271 0.077 Uiso 1 1 calc R U . . .
C54 C 0.9956(7) 0.2967(6) 0.5285(5) 0.114(3) Uani 1 1 d . U . . .
H54A H 1.062489 0.280203 0.528917 0.136 Uiso 1 1 calc R U . . .
N1 N 0.1789(2) 0.8111(2) -0.07501(17) 0.0229(7) Uani 1 1 d . . . . .
N2 N 0.8352(2) -0.2883(2) 0.26737(16) 0.0212(7) Uani 1 1 d . . . . .
N3 N 0.6490(2) 0.1708(2) 0.75462(16) 0.0198(7) Uani 1 1 d . . . . .
N4 N 0.3436(2) 0.3284(2) 0.31954(17) 0.0252(8) Uani 1 1 d . . . . .
N6 N 0.0304(3) 0.2114(4) 0.2069(2) 0.0548(13) Uani 1 1 d . . . . .
N7 N 0.9609(3) 0.2631(3) 0.4790(2) 0.0520(12) Uani 1 1 d . . . . .
O1 O 0.72023(18) -0.07122(18) 0.60340(13) 0.0206(6) Uani 1 1 d . . . . .
O2 O 0.55379(17) -0.11177(17) 0.56512(12) 0.0152(5) Uani 1 1 d . . . . .
O3 O 0.75086(18) -0.14726(19) 0.47211(13) 0.0218(6) Uani 1 1 d . . . . .
O4 O 0.38950(18) -0.16472(18) 0.53560(12) 0.0178(6) Uani 1 1 d . . . . .
O5 O 0.57651(18) -0.20329(18) 0.43562(13) 0.0198(6) Uani 1 1 d . . . . .
O6 O 0.74985(18) 0.03945(18) 0.48227(13) 0.0197(6) Uani 1 1 d . . . . .
O7 O 0.59419(17) -0.01262(17) 0.45020(12) 0.0134(5) Uani 1 1 d . . . . .
O8 O 0.80567(19) -0.0242(2) 0.34144(13) 0.0245(6) Uani 1 1 d . . . . .
O9 O 0.44201(17) -0.05533(17) 0.41568(12) 0.0155(5) Uani 1 1 d . . . . .
O10 O 0.62727(18) -0.08551(18) 0.30660(13) 0.0209(6) Uani 1 1 d . . . . .
O11 O 0.48977(19) 0.04864(19) 0.28857(13) 0.0226(6) Uani 1 1 d . . . . .
O12 O 0.64357(18) 0.09333(18) 0.33576(12) 0.0196(6) Uani 1 1 d . . . . .
O13 O 0.8112(2) 0.1541(2) 0.36216(14) 0.0273(7) Uani 1 1 d . . . . .
O14 O 0.1194(3) 0.0819(3) 0.2287(2) 0.0827(14) Uani 1 1 d . . . . .
O15 O 0.9349(6) 0.3503(6) 0.5732(4) 0.167(3) Uani 1 1 d . U . . .
O16 O 0.28766(19) 0.57916(19) 0.20415(13) 0.0222(6) Uani 1 1 d . . . . .
O17 O 0.24627(17) 0.47334(18) 0.10253(13) 0.0191(6) Uani 1 1 d . . . . .
O18 O 0.17294(19) 0.3669(2) 0.01543(14) 0.0260(6) Uani 1 1 d . . . . .
O19 O 0.34708(18) 0.41537(18) -0.09163(13) 0.0197(6) Uani 1 1 d . . . . .
O20 O 0.19500(19) 0.54278(19) -0.01366(14) 0.0240(6) Uani 1 1 d . . . . .
O21 O 0.40630(17) 0.51738(17) -0.00507(12) 0.0155(5) Uani 1 1 d . . . . .
O22 O 0.25761(18) 0.65803(18) 0.08573(13) 0.0209(6) Uani 1 1 d . . . . .
O23 O 0.45511(17) 0.61271(17) 0.08553(12) 0.0151(5) Uani 1 1 d . . . . .
O24 O 0.62212(18) 0.65648(17) -0.02451(13) 0.0178(6) Uani 1 1 d . . . . .
O25 O 0.43461(18) 0.70524(18) -0.03687(13) 0.0198(6) Uani 1 1 d . . . . .
O26 O 0.55908(17) 0.55312(17) -0.11387(12) 0.0160(5) Uani 1 1 d . . . . .
O27 O 0.37524(19) 0.59198(19) -0.13622(13) 0.0224(6) Uani 1 1 d . . . . .
O28 O 0.50201(19) 0.45275(19) -0.21376(13) 0.0237(6) Uani 1 1 d . . . . .
Mo1 Mo 0.68361(2) -0.05815(2) 0.52879(2) 0.01518(7) Uani 1 1 d . . . . .
Mo2 Mo 0.73713(2) 0.07107(2) 0.38900(2) 0.01813(8) Uani 1 1 d . . . . .
Mo3 Mo 0.49706(2) -0.11703(2) 0.48652(2) 0.01341(7) Uani 1 1 d . . . . .
Mo4 Mo 0.55031(2) 0.00946(2) 0.34768(2) 0.01561(7) Uani 1 1 d . . . . .
Mo5 Mo 0.32070(2) 0.56564(2) 0.11321(2) 0.01564(7) Uani 1 1 d . . . . .
Mo6 Mo 0.25582(2) 0.44227(2) 0.00470(2) 0.01834(8) Uani 1 1 d . . . . .
Mo7 Mo 0.44624(2) 0.49295(2) -0.12805(2) 0.01595(7) Uani 1 1 d . . . . .
Mo8 Mo 0.50998(2) 0.61534(2) -0.01991(2) 0.01385(7) Uani 1 1 d . . . . .
Ag1 Ag 0.25155(2) 0.68859(2) -0.03637(2) 0.02890(8) Uani 1 1 d . . . . .
Ag2 Ag 0.76530(2) -0.17846(2) 0.34936(2) 0.03255(9) Uani 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
C1 C2 1.497(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 N1 1.349(5) . ?
C2 C3 1.379(6) . ?
C3 C4 1.394(7) . ?
C3 H3A 0.9500 . ?
C4 C6 1.384(6) . ?
C4 C5 1.509(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.382(6) . ?
C6 H6A 0.9500 . ?
C7 N1 1.341(5) . ?
C7 C8 1.489(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.501(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 N2 1.348(5) . ?
C10 C11 1.385(5) . ?
C11 C12 1.384(5) . ?
C11 H11A 0.9500 . ?
C12 C14 1.376(5) . ?
C12 C13 1.501(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.380(5) . ?
C14 H14A 0.9500 . ?
C15 N2 1.350(5) . ?
C15 C16 1.498(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.524(5) . ?
C17 N3 1.529(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.527(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.520(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 N3 1.514(4) . ?
C21 C22 1.529(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.518(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.529(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.515(5) . ?
C25 N3 1.522(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.524(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.501(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.518(5) . ?
C29 N3 1.519(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.524(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.520(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 N7 1.442(7) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 N7 1.410(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 N4 1.521(5) . ?
C35 C36 1.528(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.516(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.519(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 N4 1.518(5) . ?
C39 C40 1.523(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.511(6) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.510(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.517(5) . ?
C43 N4 1.523(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.527(6) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.520(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.520(6) . ?
C47 N4 1.526(5) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.516(6) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.486(7) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 N6 1.467(6) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 N6 1.445(6) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 O14 1.218(6) . ?
C53 N6 1.337(7) . ?
C53 H53A 0.9500 . ?
C54 O15 1.231(10) . ?
C54 N7 1.347(9) . ?
C54 H54A 0.9500 . ?
N1 Ag1 2.217(3) . ?
N2 Ag2 2.217(3) . ?
O1 Mo1 1.694(2) . ?
O2 Mo3 1.953(2) . ?
O2 Mo1 2.009(2) . ?
O2 Mo4 2.311(2) 2_656 ?
O3 Mo1 1.723(3) . ?
O3 Ag2 2.390(2) . ?
O4 Mo3 1.748(2) . ?
O4 Mo2 2.259(2) 2_656 ?
O5 Mo3 1.698(3) . ?
O6 Mo1 1.887(3) . ?
O6 Mo2 1.928(2) . ?
O7 Mo3 2.164(2) . ?
O7 Mo4 2.283(2) . ?
O7 Mo3 2.320(2) 2_656 ?
O7 Mo1 2.322(2) . ?
O7 Mo2 2.472(2) . ?
O8 Mo2 1.719(3) . ?
O8 Ag2 2.427(3) . ?
O9 Mo3 1.952(2) . ?
O9 Mo4 2.016(2) . ?
O9 Mo1 2.299(2) 2_656 ?
O10 Mo4 1.713(3) . ?
O10 Ag2 2.595(2) . ?
O11 Mo4 1.697(2) . ?
O12 Mo4 1.889(3) . ?
O12 Mo2 1.922(2) . ?
O13 Mo2 1.689(3) . ?
O16 Mo5 1.695(2) . ?
O17 Mo5 1.888(3) . ?
O17 Mo6 1.934(2) . ?
O18 Mo6 1.688(3) . ?
O19 Mo7 1.884(3) . ?
O19 Mo6 1.929(2) . ?
O20 Mo6 1.720(3) . ?
O20 Ag1 2.393(3) . ?
O21 Mo8 2.150(2) . ?
O21 Mo8 2.298(2) 2_665 ?
O21 Mo7 2.311(2) . ?
O21 Mo5 2.321(2) . ?
O21 Mo6 2.483(2) . ?
O22 Mo5 1.715(3) . ?
O22 Ag1 2.443(2) . ?
O23 Mo8 1.956(2) . ?
O23 Mo5 2.018(2) . ?
O23 Mo7 2.289(2) 2_665 ?
O24 Mo8 1.749(2) . ?
O24 Mo6 2.248(2) 2_665 ?
O25 Mo8 1.698(3) . ?
O26 Mo8 1.951(2) . ?
O26 Mo7 2.022(2) . ?
O26 Mo5 2.297(2) 2_665 ?
O27 Mo7 1.711(3) . ?
O27 Ag1 2.500(3) . ?
O28 Mo7 1.693(2) . ?
Mo3 Mo4 3.2081(5) . ?

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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 120.4(4) . . ?
N1 C2 C1 116.6(4) . . ?
C3 C2 C1 122.9(4) . . ?
C2 C3 C4 121.4(4) . . ?
C2 C3 H3A 119.3 . . ?
C4 C3 H3A 119.3 . . ?
C6 C4 C3 116.6(4) . . ?
C6 C4 C5 121.0(5) . . ?
C3 C4 C5 122.5(5) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C4 120.3(4) . . ?
C7 C6 H6A 119.9 . . ?
C4 C6 H6A 119.9 . . ?
N1 C7 C6 121.9(4) . . ?
N1 C7 C8 117.2(4) . . ?
C6 C7 C8 120.9(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 121.5(3) . . ?
N2 C10 C9 117.4(3) . . ?
C11 C10 C9 121.0(4) . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 H11A 119.7 . . ?
C10 C11 H11A 119.7 . . ?
C14 C12 C11 116.9(4) . . ?
C14 C12 C13 122.1(4) . . ?
C11 C12 C13 120.9(4) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 C15 121.1(4) . . ?
C12 C14 H14A 119.4 . . ?
C15 C14 H14A 119.4 . . ?
N2 C15 C14 121.3(3) . . ?
N2 C15 C16 117.2(3) . . ?
C14 C15 C16 121.5(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 N3 114.1(3) . . ?
C18 C17 H17A 108.7 . . ?
N3 C17 H17A 108.7 . . ?
C18 C17 H17B 108.7 . . ?
N3 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
C17 C18 C19 110.0(3) . . ?
C17 C18 H18A 109.7 . . ?
C19 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
C19 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C20 C19 C18 111.9(3) . . ?
C20 C19 H19A 109.2 . . ?
C18 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 C22 114.6(3) . . ?
N3 C21 H21A 108.6 . . ?
C22 C21 H21A 108.6 . . ?
N3 C21 H21B 108.6 . . ?
C22 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C23 C22 C21 110.9(3) . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 110.8(4) . . ?
C22 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N3 117.3(3) . . ?
C26 C25 H25A 108.0 . . ?
N3 C25 H25A 108.0 . . ?
C26 C25 H25B 108.0 . . ?
N3 C25 H25B 108.0 . . ?
H25A C25 H25B 107.2 . . ?
C25 C26 C27 109.1(3) . . ?
C25 C26 H26A 109.9 . . ?
C27 C26 H26A 109.9 . . ?
C25 C26 H26B 109.9 . . ?
C27 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
C28 C27 C26 113.7(4) . . ?
C28 C27 H27A 108.8 . . ?
C26 C27 H27A 108.8 . . ?
C28 C27 H27B 108.8 . . ?
C26 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 N3 116.7(3) . . ?
C30 C29 H29A 108.1 . . ?
N3 C29 H29A 108.1 . . ?
C30 C29 H29B 108.1 . . ?
N3 C29 H29B 108.1 . . ?
H29A C29 H29B 107.3 . . ?
C29 C30 C31 110.0(3) . . ?
C29 C30 H30A 109.7 . . ?
C31 C30 H30A 109.7 . . ?
C29 C30 H30B 109.7 . . ?
C31 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
C32 C31 C30 112.8(3) . . ?
C32 C31 H31A 109.0 . . ?
C30 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C30 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N7 C33 H33A 109.5 . . ?
N7 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N7 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N7 C34 H34A 109.5 . . ?
N7 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N7 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N4 C35 C36 114.6(3) . . ?
N4 C35 H35A 108.6 . . ?
C36 C35 H35A 108.6 . . ?
N4 C35 H35B 108.6 . . ?
C36 C35 H35B 108.6 . . ?
H35A C35 H35B 107.6 . . ?
C37 C36 C35 110.6(4) . . ?
C37 C36 H36A 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C38 C37 C36 111.4(4) . . ?
C38 C37 H37A 109.4 . . ?
C36 C37 H37A 109.4 . . ?
C38 C37 H37B 109.4 . . ?
C36 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N4 C39 C40 114.8(4) . . ?
N4 C39 H39A 108.6 . . ?
C40 C39 H39A 108.6 . . ?
N4 C39 H39B 108.6 . . ?
C40 C39 H39B 108.6 . . ?
H39A C39 H39B 107.5 . . ?
C41 C40 C39 112.4(4) . . ?
C41 C40 H40A 109.1 . . ?
C39 C40 H40A 109.1 . . ?
C41 C40 H40B 109.1 . . ?
C39 C40 H40B 109.1 . . ?
H40A C40 H40B 107.9 . . ?
C40 C41 C42 111.4(4) . . ?
C40 C41 H41A 109.4 . . ?
C42 C41 H41A 109.4 . . ?
C40 C41 H41B 109.4 . . ?
C42 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 N4 116.6(3) . . ?
C44 C43 H43A 108.1 . . ?
N4 C43 H43A 108.1 . . ?
C44 C43 H43B 108.1 . . ?
N4 C43 H43B 108.1 . . ?
H43A C43 H43B 107.3 . . ?
C43 C44 C45 110.2(3) . . ?
C43 C44 H44A 109.6 . . ?
C45 C44 H44A 109.6 . . ?
C43 C44 H44B 109.6 . . ?
C45 C44 H44B 109.6 . . ?
H44A C44 H44B 108.1 . . ?
C46 C45 C44 113.0(4) . . ?
C46 C45 H45A 109.0 . . ?
C44 C45 H45A 109.0 . . ?
C46 C45 H45B 109.0 . . ?
C44 C45 H45B 109.0 . . ?
H45A C45 H45B 107.8 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 N4 115.5(3) . . ?
C48 C47 H47A 108.4 . . ?
N4 C47 H47A 108.4 . . ?
C48 C47 H47B 108.4 . . ?
N4 C47 H47B 108.4 . . ?
H47A C47 H47B 107.5 . . ?
C49 C48 C47 112.6(4) . . ?
C49 C48 H48A 109.1 . . ?
C47 C48 H48A 109.1 . . ?
C49 C48 H48B 109.1 . . ?
C47 C48 H48B 109.1 . . ?
H48A C48 H48B 107.8 . . ?
C50 C49 C48 114.0(5) . . ?
C50 C49 H49A 108.7 . . ?
C48 C49 H49A 108.7 . . ?
C50 C49 H49B 108.7 . . ?
C48 C49 H49B 108.7 . . ?
H49A C49 H49B 107.6 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N6 C51 H51A 109.5 . . ?
N6 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
N6 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N6 C52 H52A 109.5 . . ?
N6 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
N6 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O14 C53 N6 125.8(6) . . ?
O14 C53 H53A 117.1 . . ?
N6 C53 H53A 117.1 . . ?
O15 C54 N7 115.5(9) . . ?
O15 C54 H54A 122.2 . . ?
N7 C54 H54A 122.2 . . ?
C7 N1 C2 119.4(4) . . ?
C7 N1 Ag1 121.4(3) . . ?
C2 N1 Ag1 119.2(3) . . ?
C10 N2 C15 118.5(3) . . ?
C10 N2 Ag2 120.1(2) . . ?
C15 N2 Ag2 121.2(3) . . ?
C21 N3 C29 107.2(3) . . ?
C21 N3 C17 111.5(3) . . ?
C29 N3 C17 111.0(3) . . ?
C21 N3 C25 110.5(3) . . ?
C29 N3 C25 110.9(3) . . ?
C17 N3 C25 105.7(3) . . ?
C39 N4 C43 110.8(3) . . ?
C39 N4 C35 111.1(3) . . ?
C43 N4 C35 106.6(3) . . ?
C39 N4 C47 107.1(3) . . ?
C43 N4 C47 110.9(3) . . ?
C35 N4 C47 110.4(3) . . ?
C53 N6 C52 121.8(5) . . ?
C53 N6 C51 120.2(5) . . ?
C52 N6 C51 117.7(5) . . ?
C54 N7 C34 125.9(6) . . ?
C54 N7 C33 119.0(6) . . ?
C34 N7 C33 115.0(5) . . ?
Mo3 O2 Mo1 109.26(11) . . ?
Mo3 O2 Mo4 108.87(10) . 2_656 ?
Mo1 O2 Mo4 104.42(10) . 2_656 ?
Mo1 O3 Ag2 130.19(13) . . ?
Mo3 O4 Mo2 116.89(13) . 2_656 ?
Mo1 O6 Mo2 116.62(12) . . ?
Mo3 O7 Mo4 92.30(8) . . ?
Mo3 O7 Mo3 104.76(9) . 2_656 ?
Mo4 O7 Mo3 98.03(9) . 2_656 ?
Mo3 O7 Mo1 92.07(9) . . ?
Mo4 O7 Mo1 162.11(11) . . ?
Mo3 O7 Mo1 97.61(8) 2_656 . ?
Mo3 O7 Mo2 164.03(12) . . ?
Mo4 O7 Mo2 85.83(8) . . ?
Mo3 O7 Mo2 91.20(8) 2_656 . ?
Mo1 O7 Mo2 85.22(7) . . ?
Mo2 O8 Ag2 129.33(14) . . ?
Mo3 O9 Mo4 107.86(10) . . ?
Mo3 O9 Mo1 110.21(10) . 2_656 ?
Mo4 O9 Mo1 104.60(11) . 2_656 ?
Mo4 O10 Ag2 126.84(12) . . ?
Mo4 O12 Mo2 116.46(13) . . ?
Mo5 O17 Mo6 116.41(13) . . ?
Mo7 O19 Mo6 116.62(13) . . ?
Mo6 O20 Ag1 129.80(13) . . ?
Mo8 O21 Mo8 105.10(9) . 2_665 ?
Mo8 O21 Mo7 92.55(9) . . ?
Mo8 O21 Mo7 97.50(9) 2_665 . ?
Mo8 O21 Mo5 92.59(9) . . ?
Mo8 O21 Mo5 97.88(8) 2_665 . ?
Mo7 O21 Mo5 161.91(11) . . ?
Mo8 O21 Mo6 163.55(12) . . ?
Mo8 O21 Mo6 91.35(9) 2_665 . ?
Mo7 O21 Mo6 85.14(7) . . ?
Mo5 O21 Mo6 85.03(8) . . ?
Mo5 O22 Ag1 127.14(13) . . ?
Mo8 O23 Mo5 108.93(10) . . ?
Mo8 O23 Mo7 109.17(10) . 2_665 ?
Mo5 O23 Mo7 104.36(11) . 2_665 ?
Mo8 O24 Mo6 117.25(13) . 2_665 ?
Mo8 O26 Mo7 108.51(11) . . ?
Mo8 O26 Mo5 109.87(10) . 2_665 ?
Mo7 O26 Mo5 103.93(11) . 2_665 ?
Mo7 O27 Ag1 127.20(12) . . ?
O1 Mo1 O3 104.90(12) . . ?
O1 Mo1 O6 102.83(11) . . ?
O3 Mo1 O6 101.17(12) . . ?
O1 Mo1 O2 99.08(11) . . ?
O3 Mo1 O2 96.62(11) . . ?
O6 Mo1 O2 147.01(10) . . ?
O1 Mo1 O9 91.66(10) . 2_656 ?
O3 Mo1 O9 161.30(10) . 2_656 ?
O6 Mo1 O9 83.15(10) . 2_656 ?
O2 Mo1 O9 71.78(9) . 2_656 ?
O1 Mo1 O7 162.87(11) . . ?
O3 Mo1 O7 91.47(10) . . ?
O6 Mo1 O7 78.38(9) . . ?
O2 Mo1 O7 73.58(9) . . ?
O9 Mo1 O7 71.42(8) 2_656 . ?
O13 Mo2 O8 105.37(13) . . ?
O13 Mo2 O12 103.50(12) . . ?
O8 Mo2 O12 97.21(11) . . ?
O13 Mo2 O6 103.25(11) . . ?
O8 Mo2 O6 98.26(12) . . ?
O12 Mo2 O6 144.14(10) . . ?
O13 Mo2 O4 93.10(12) . 2_656 ?
O8 Mo2 O4 161.52(11) . 2_656 ?
O12 Mo2 O4 77.39(9) . 2_656 ?
O6 Mo2 O4 77.74(10) . 2_656 ?
O13 Mo2 O7 162.79(11) . . ?
O8 Mo2 O7 91.84(11) . . ?
O12 Mo2 O7 73.44(9) . . ?
O6 Mo2 O7 73.91(9) . . ?
O4 Mo2 O7 69.70(9) 2_656 . ?
O5 Mo3 O4 105.47(12) . . ?
O5 Mo3 O2 100.29(11) . . ?
O4 Mo3 O2 97.04(10) . . ?
O5 Mo3 O9 101.39(11) . . ?
O4 Mo3 O9 97.12(10) . . ?
O2 Mo3 O9 149.82(11) . . ?
O5 Mo3 O7 97.09(11) . . ?
O4 Mo3 O7 157.45(11) . . ?
O2 Mo3 O7 78.34(9) . . ?
O9 Mo3 O7 78.38(9) . . ?
O5 Mo3 O7 172.31(11) . 2_656 ?
O4 Mo3 O7 82.20(10) . 2_656 ?
O2 Mo3 O7 77.93(9) . 2_656 ?
O9 Mo3 O7 77.77(9) . 2_656 ?
O7 Mo3 O7 75.24(9) . 2_656 ?
O5 Mo3 Mo4 89.03(9) . . ?
O4 Mo3 Mo4 133.86(8) . . ?
O2 Mo3 Mo4 123.65(7) . . ?
O9 Mo3 Mo4 36.74(7) . . ?
O7 Mo3 Mo4 45.32(6) . . ?
O7 Mo3 Mo4 85.85(6) 2_656 . ?
O11 Mo4 O10 105.06(12) . . ?
O11 Mo4 O12 101.34(12) . . ?
O10 Mo4 O12 101.40(12) . . ?
O11 Mo4 O9 99.17(11) . . ?
O10 Mo4 O9 96.66(11) . . ?
O12 Mo4 O9 147.97(10) . . ?
O11 Mo4 O7 162.39(11) . . ?
O10 Mo4 O7 92.07(10) . . ?
O12 Mo4 O7 78.74(9) . . ?
O9 Mo4 O7 74.36(8) . . ?
O11 Mo4 O2 90.39(10) . 2_656 ?
O10 Mo4 O2 162.03(10) . 2_656 ?
O12 Mo4 O2 84.09(10) . 2_656 ?
O9 Mo4 O2 71.40(9) . 2_656 ?
O7 Mo4 O2 72.05(8) . 2_656 ?
O11 Mo4 Mo3 134.41(9) . . ?
O10 Mo4 Mo3 83.45(8) . . ?
O12 Mo4 Mo3 121.12(7) . . ?
O9 Mo4 Mo3 35.40(6) . . ?
O7 Mo4 Mo3 42.39(6) . . ?
O2 Mo4 Mo3 79.12(6) 2_656 . ?
O16 Mo5 O22 104.63(12) . . ?
O16 Mo5 O17 103.02(12) . . ?
O22 Mo5 O17 101.00(11) . . ?
O16 Mo5 O23 98.71(11) . . ?
O22 Mo5 O23 96.46(11) . . ?
O17 Mo5 O23 147.53(10) . . ?
O16 Mo5 O26 91.33(10) . 2_665 ?
O22 Mo5 O26 161.61(10) . 2_665 ?
O17 Mo5 O26 83.83(10) . 2_665 ?
O23 Mo5 O26 71.73(9) . 2_665 ?
O16 Mo5 O21 162.21(10) . . ?
O22 Mo5 O21 92.21(10) . . ?
O17 Mo5 O21 78.85(9) . . ?
O23 Mo5 O21 73.29(9) . . ?
O26 Mo5 O21 71.16(8) 2_665 . ?
O18 Mo6 O20 105.05(13) . . ?
O18 Mo6 O19 103.29(12) . . ?
O20 Mo6 O19 97.64(12) . . ?
O18 Mo6 O17 103.83(12) . . ?
O20 Mo6 O17 96.90(12) . . ?
O19 Mo6 O17 144.56(10) . . ?
O18 Mo6 O24 95.56(11) . 2_665 ?
O20 Mo6 O24 159.38(11) . 2_665 ?
O19 Mo6 O24 77.37(10) . 2_665 ?
O17 Mo6 O24 77.70(10) . 2_665 ?
O18 Mo6 O21 164.74(11) . . ?
O20 Mo6 O21 90.20(10) . . ?
O19 Mo6 O21 73.79(9) . . ?
O17 Mo6 O21 74.01(9) . . ?
O24 Mo6 O21 69.19(9) 2_665 . ?
O28 Mo7 O27 104.89(12) . . ?
O28 Mo7 O19 101.82(12) . . ?
O27 Mo7 O19 101.65(12) . . ?
O28 Mo7 O26 99.93(11) . . ?
O27 Mo7 O26 95.09(11) . . ?
O19 Mo7 O26 147.98(10) . . ?
O28 Mo7 O23 91.40(10) . 2_665 ?
O27 Mo7 O23 160.85(10) . 2_665 ?
O19 Mo7 O23 84.38(10) . 2_665 ?
O26 Mo7 O23 71.83(9) . 2_665 ?
O28 Mo7 O21 163.14(11) . . ?
O27 Mo7 O21 91.32(10) . . ?
O19 Mo7 O21 78.89(9) . . ?
O26 Mo7 O21 73.58(9) . . ?
O23 Mo7 O21 71.84(8) 2_665 . ?
O25 Mo8 O24 105.65(12) . . ?
O25 Mo8 O26 100.96(11) . . ?
O24 Mo8 O26 96.80(10) . . ?
O25 Mo8 O23 100.18(11) . . ?
O24 Mo8 O23 97.02(10) . . ?
O26 Mo8 O23 150.52(10) . . ?
O25 Mo8 O21 97.23(11) . . ?
O24 Mo8 O21 157.12(11) . . ?
O26 Mo8 O21 78.70(9) . . ?
O23 Mo8 O21 78.46(9) . . ?
O25 Mo8 O21 172.13(10) . 2_665 ?
O24 Mo8 O21 82.22(10) . 2_665 ?
O26 Mo8 O21 77.97(9) . 2_665 ?
O23 Mo8 O21 78.28(9) . 2_665 ?
O21 Mo8 O21 74.90(9) . 2_665 ?
N1 Ag1 O20 128.14(10) . . ?
N1 Ag1 O22 128.00(10) . . ?
O20 Ag1 O22 77.34(9) . . ?
N1 Ag1 O27 113.41(10) . . ?
O20 Ag1 O27 76.96(9) . . ?
O22 Ag1 O27 116.64(8) . . ?
N2 Ag2 O3 138.07(10) . . ?
N2 Ag2 O8 126.41(11) . . ?
O3 Ag2 O8 78.83(9) . . ?
N2 Ag2 O10 105.82(9) . . ?
O3 Ag2 O10 113.57(8) . . ?
O8 Ag2 O10 75.10(8) . . ?

_refine_diff_density_max         1.328
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.137

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2



####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 1959372'
loop_
_audit_author_name
_audit_author_address
'Pavel Abramov'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H93 Ag2 Mo8 N9 O27'
_chemical_formula_weight         2175.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.0475(5)
_cell_length_b                   16.5992(6)
_cell_length_c                   17.9506(7)
_cell_angle_alpha                88.636(3)
_cell_angle_beta                 74.794(4)
_cell_angle_gamma                68.719(4)
_cell_volume                     3484.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    6853
_cell_measurement_theta_min      3.4760
_cell_measurement_theta_max      27.1640

_exptl_crystal_description       block
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.073
_exptl_crystal_F_000             2144
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    2.017
_shelx_estimated_absorpt_T_min   0.752
_shelx_estimated_absorpt_T_max   0.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.95383
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_reflns_number            31154
_diffrn_reflns_av_unetI/netI     0.1062
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.292
_diffrn_reflns_theta_max         29.560
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.824
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.824
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.824
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             16091
_reflns_number_gt                9159
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16091
_refine_ls_number_parameters     793
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0576
_refine_ls_wR_factor_ref         0.1303
_refine_ls_wR_factor_gt          0.1122
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.9094(7) 0.0230(5) 0.6745(4) 0.040(2) Uani 1 1 d . . . . .
C2 C 0.9850(8) 0.0277(7) 0.6051(5) 0.060(3) Uani 1 1 d . . . . .
H2A H 0.971712 0.080494 0.580624 0.072 Uiso 1 1 calc R U . . .
C44 C 0.2095(7) 0.8857(5) 0.8694(5) 0.047(2) Uani 1 1 d . . . . .
H44A H 0.180709 0.890895 0.926556 0.056 Uiso 1 1 calc R U . A 3
H44B H 0.265550 0.914592 0.855735 0.056 Uiso 1 1 calc R U . A 3
C3 C 1.0789(8) -0.0447(9) 0.5724(5) 0.069(3) Uani 1 1 d . . . . .
H3A H 1.130528 -0.042296 0.524748 0.082 Uiso 1 1 calc R U . . .
C4 C 1.0986(7) -0.1201(7) 0.6077(6) 0.061(3) Uani 1 1 d . . . . .
H4A H 1.163713 -0.170414 0.585431 0.073 Uiso 1 1 calc R U . . .
C5 C 1.0219(7) -0.1220(6) 0.6768(5) 0.049(2) Uani 1 1 d . . . . .
C6 C 0.9153(6) 0.6564(5) 0.4992(4) 0.0341(18) Uani 1 1 d . . . . .
C7 C 0.9401(6) 0.7305(5) 0.5002(5) 0.043(2) Uani 1 1 d . . . . .
H7A H 0.984133 0.745933 0.455132 0.052 Uiso 1 1 calc R U . . .
C8 C 0.8981(7) 0.7812(6) 0.5691(5) 0.052(2) Uani 1 1 d . . . . .
H8A H 0.914774 0.832013 0.572122 0.062 Uiso 1 1 calc R U . . .
C9 C 0.8331(8) 0.7596(7) 0.6331(5) 0.070(3) Uani 1 1 d . . . . .
H9A H 0.802579 0.795505 0.680195 0.084 Uiso 1 1 calc R U . . .
C10 C 0.8126(7) 0.6836(7) 0.6278(5) 0.062(3) Uani 1 1 d . . . . .
C11 C 0.3260(7) 0.7774(6) 0.7553(4) 0.049(2) Uani 1 1 d . . . . .
H11A H 0.264695 0.797226 0.728606 0.059 Uiso 1 1 calc R U . . .
H11B H 0.367596 0.714405 0.741119 0.059 Uiso 1 1 calc R U . . .
C12 C 0.4090(7) 0.8236(5) 0.7245(4) 0.0391(19) Uani 1 1 d . . . . .
H12A H 0.366928 0.887133 0.731982 0.047 Uiso 1 1 calc R U . . .
H12B H 0.467313 0.808573 0.753646 0.047 Uiso 1 1 calc R U . . .
C13 C 0.4671(9) 0.7970(6) 0.6393(4) 0.063(3) Uani 1 1 d . . . . .
H13A H 0.512248 0.733865 0.632787 0.076 Uiso 1 1 calc R U . . .
H13B H 0.407800 0.808028 0.611306 0.076 Uiso 1 1 calc R U . . .
C14 C 0.5442(9) 0.8438(6) 0.6035(5) 0.068(3) Uani 1 1 d . . . . .
H14A H 0.579028 0.823760 0.548542 0.101 Uiso 1 1 calc R U . . .
H14B H 0.499850 0.906296 0.608463 0.101 Uiso 1 1 calc R U . . .
H14C H 0.604389 0.832068 0.629963 0.101 Uiso 1 1 calc R U . . .
C15 C 0.3607(6) 0.7560(5) 0.8860(4) 0.0403(19) Uani 1 1 d . . . . .
H15A H 0.321496 0.762125 0.942009 0.048 Uiso 1 1 calc R U . B 1
H15B H 0.407309 0.792730 0.877811 0.048 Uiso 1 1 calc R U . B 1
C19 C 0.1906(6) 0.7412(5) 0.8570(4) 0.0424(19) Uani 1 1 d . . . . .
H19A H 0.132009 0.767603 0.828952 0.051 Uiso 1 1 calc R U . . .
H19B H 0.235368 0.681044 0.833796 0.051 Uiso 1 1 calc R U . . .
C20 C 0.1302(9) 0.7367(7) 0.9393(6) 0.088(2) Uani 1 1 d . U . . .
H20A H 0.084751 0.796123 0.964106 0.105 Uiso 1 1 calc R U . . .
H20B H 0.186933 0.707419 0.968153 0.105 Uiso 1 1 calc R U . . .
C21 C 0.0520(9) 0.6871(7) 0.9424(6) 0.089(2) Uani 1 1 d . U . . .
H21A H -0.011098 0.721293 0.920224 0.107 Uiso 1 1 calc R U . . .
H21B H 0.095626 0.631713 0.909884 0.107 Uiso 1 1 calc R U . . .
C22 C 0.0024(9) 0.6680(7) 1.0230(6) 0.094(2) Uani 1 1 d . U . . .
H22A H -0.047197 0.636012 1.021632 0.141 Uiso 1 1 calc R U . . .
H22B H 0.064368 0.633002 1.044902 0.141 Uiso 1 1 calc R U . . .
H22C H -0.042398 0.722617 1.055246 0.141 Uiso 1 1 calc R U . . .
C26 C 0.5778(6) 0.7540(5) 0.3378(4) 0.041(2) Uani 1 1 d . . . . .
H26A H 0.541235 0.711796 0.334691 0.049 Uiso 1 1 calc R U . . .
H26B H 0.597250 0.748942 0.387906 0.049 Uiso 1 1 calc R U . . .
C27 C 0.4916(6) 0.8443(6) 0.3378(4) 0.058(3) Uani 1 1 d . . . . .
H27A H 0.533645 0.882291 0.315831 0.070 Uiso 1 1 calc R U . . .
H27B H 0.445109 0.841911 0.302905 0.070 Uiso 1 1 calc R U . . .
C28 C 0.4145(8) 0.8841(5) 0.4131(5) 0.054(2) Uani 1 1 d . . . . .
H28A H 0.460941 0.882800 0.449078 0.065 Uiso 1 1 calc R U . . .
H28B H 0.368463 0.848333 0.433457 0.065 Uiso 1 1 calc R U . . .
C29 C 0.3336(6) 0.9767(5) 0.4137(4) 0.044(2) Uani 1 1 d . . . . .
H29A H 0.285534 0.997679 0.466614 0.066 Uiso 1 1 calc R U . . .
H29B H 0.377851 1.013459 0.395338 0.066 Uiso 1 1 calc R U . . .
H29C H 0.285138 0.978904 0.379677 0.066 Uiso 1 1 calc R U . . .
C30 C 0.7468(6) 0.7924(5) 0.2730(4) 0.0337(17) Uani 1 1 d . . . . .
H30A H 0.699977 0.848644 0.257849 0.040 Uiso 1 1 calc R U . . .
H30B H 0.821338 0.770617 0.233134 0.040 Uiso 1 1 calc R U . . .
C31 C 0.7676(7) 0.8079(6) 0.3506(5) 0.050(2) Uani 1 1 d . . . . .
H31A H 0.693851 0.826876 0.391278 0.060 Uiso 1 1 calc R U . . .
H31B H 0.818448 0.752506 0.364505 0.060 Uiso 1 1 calc R U . . .
C32 C 0.8207(8) 0.8750(6) 0.3490(5) 0.055(2) Uani 1 1 d . . . . .
H32A H 0.849643 0.871691 0.395187 0.066 Uiso 1 1 calc R U . . .
H32B H 0.886676 0.861632 0.302552 0.066 Uiso 1 1 calc R U . . .
C33 C 0.7410(10) 0.9624(8) 0.3479(7) 0.094(4) Uani 1 1 d . U . . .
H33A H 0.779721 1.003346 0.346876 0.142 Uiso 1 1 calc R U . . .
H33B H 0.713322 0.966452 0.301686 0.142 Uiso 1 1 calc R U . . .
H33C H 0.676278 0.976514 0.394347 0.142 Uiso 1 1 calc R U . . .
C34 C 0.6629(6) 0.7293(5) 0.1946(4) 0.0381(19) Uani 1 1 d . . . . .
H34A H 0.615405 0.789102 0.187048 0.046 Uiso 1 1 calc R U . . .
H34B H 0.736056 0.712017 0.153461 0.046 Uiso 1 1 calc R U . . .
C35 C 0.6024(8) 0.6695(7) 0.1856(5) 0.071(3) Uani 1 1 d . . . . .
H35A H 0.521205 0.695476 0.215863 0.085 Uiso 1 1 calc R U . . .
H35B H 0.637767 0.613431 0.206337 0.085 Uiso 1 1 calc R U . . .
C36 C 0.6095(7) 0.6539(7) 0.0995(4) 0.059(3) Uani 1 1 d . . . . .
H36A H 0.551199 0.630008 0.096572 0.071 Uiso 1 1 calc R U . . .
H36B H 0.590712 0.710341 0.076181 0.071 Uiso 1 1 calc R U . . .
C37 C 0.7224(9) 0.5943(7) 0.0533(6) 0.077(3) Uani 1 1 d . . . . .
H37A H 0.720668 0.587494 -0.000383 0.116 Uiso 1 1 calc R U . . .
H37B H 0.780586 0.618138 0.054593 0.116 Uiso 1 1 calc R U . . .
H37C H 0.741023 0.537705 0.075010 0.116 Uiso 1 1 calc R U . . .
C38 C 0.7641(6) 0.6389(5) 0.2859(4) 0.0369(18) Uani 1 1 d . . . . .
H38A H 0.782835 0.642059 0.335499 0.044 Uiso 1 1 calc R U . . .
H38B H 0.720342 0.600238 0.291446 0.044 Uiso 1 1 calc R U . . .
C39 C 0.8749(6) 0.5978(5) 0.2229(4) 0.0390(19) Uani 1 1 d . . . . .
H39A H 0.857358 0.595726 0.172726 0.047 Uiso 1 1 calc R U . . .
H39B H 0.921269 0.634372 0.218690 0.047 Uiso 1 1 calc R U . . .
C40 C 0.9426(7) 0.5083(6) 0.2386(5) 0.057(2) Uani 1 1 d . . . . .
H40A H 0.892396 0.474431 0.249747 0.068 Uiso 1 1 calc R U . . .
H40B H 0.967775 0.511759 0.285447 0.068 Uiso 1 1 calc R U . . .
C41 C 1.0464(7) 0.4606(7) 0.1729(5) 0.084(4) Uani 1 1 d . . . . .
H41A H 1.086361 0.402567 0.187332 0.125 Uiso 1 1 calc R U . . .
H41B H 1.022373 0.455344 0.126449 0.125 Uiso 1 1 calc R U . . .
H41C H 1.097860 0.492725 0.162199 0.125 Uiso 1 1 calc R U . . .
N1 N 0.8165(6) 0.0929(4) 0.7095(4) 0.0470(17) Uani 1 1 d . . . . .
H1A H 0.772045 0.089421 0.754705 0.056 Uiso 1 1 calc R U . . .
H1B H 0.800409 0.141975 0.686994 0.056 Uiso 1 1 calc R U . . .
N2 N 0.9318(5) -0.0509(4) 0.7100(3) 0.0365(15) Uani 1 1 d . . . . .
N3 N 1.0339(5) -0.1949(4) 0.7163(4) 0.054(2) Uani 1 1 d . . . . .
H3B H 0.983960 -0.193010 0.760675 0.065 Uiso 1 1 calc R U . . .
H3C H 1.091612 -0.243677 0.697336 0.065 Uiso 1 1 calc R U . . .
N4 N 0.9595(5) 0.5995(4) 0.4335(3) 0.0383(15) Uani 1 1 d . . . . .
H4B H 0.946832 0.550867 0.434519 0.046 Uiso 1 1 calc R U . . .
H4C H 1.000246 0.612036 0.390709 0.046 Uiso 1 1 calc R U . . .
N5 N 0.8546(5) 0.6322(4) 0.5614(3) 0.0393(16) Uani 1 1 d . . . . .
N6 N 0.7482(7) 0.6570(6) 0.6891(4) 0.073(2) Uani 1 1 d . U . . .
H6A H 0.736347 0.608788 0.683714 0.088 Uiso 1 1 calc R U . . .
H6B H 0.718557 0.688106 0.733878 0.088 Uiso 1 1 calc R U . . .
N7 N 0.2706(5) 0.7908(4) 0.8422(3) 0.0341(15) Uani 1 1 d . . . . .
N8 N 0.6876(5) 0.7288(4) 0.2732(3) 0.0336(15) Uani 1 1 d . . . . .
O1 O 0.4844(4) 0.1831(3) 1.0227(3) 0.0335(12) Uani 1 1 d . . . . .
O2 O 0.6234(4) 0.0255(3) 1.0567(3) 0.0340(12) Uani 1 1 d . . . . .
O3 O 0.7707(4) -0.1310(3) 1.1006(3) 0.0385(13) Uani 1 1 d . . . . .
O4 O 0.8272(4) -0.0824(3) 0.9552(3) 0.0335(12) Uani 1 1 d . . . . .
O5 O 0.7237(4) -0.2052(3) 0.9822(3) 0.0363(12) Uani 1 1 d . . . . .
O6 O 0.5946(4) -0.0528(3) 0.9447(2) 0.0290(11) Uani 1 1 d . . . . .
O7 O 0.6778(4) 0.0875(3) 0.9093(2) 0.0313(11) Uani 1 1 d . . . . .
O8 O 0.4595(4) 0.0912(3) 0.9067(2) 0.0303(11) Uani 1 1 d . . . . .
O9 O 0.4288(4) 0.0067(3) 0.7834(3) 0.0371(12) Uani 1 1 d . . . . .
O10 O 0.6407(4) -0.0045(3) 0.7839(3) 0.0352(12) Uani 1 1 d . . . . .
O11 O 0.7990(4) -0.1906(3) 0.8270(3) 0.0432(14) Uani 1 1 d . . . . .
O12 O 0.6993(4) -0.3085(3) 0.8676(3) 0.0474(14) Uani 1 1 d . . . . .
O13 O 0.5703(4) -0.1423(3) 0.8325(3) 0.0366(12) Uani 1 1 d . . . . .
O14 O 0.5856(4) 0.3889(3) 0.6587(3) 0.0409(13) Uani 1 1 d . . . . .
O15 O 0.4070(5) 0.5323(4) 0.7452(3) 0.0507(16) Uani 1 1 d . . . . .
O16 O 0.6045(5) 0.5508(4) 0.6696(3) 0.0571(17) Uani 1 1 d . . . . .
O17 O 0.4276(4) 0.6056(3) 0.5996(3) 0.0340(12) Uani 1 1 d . . . . .
O18 O 0.5963(3) 0.4692(3) 0.5257(2) 0.0251(10) Uani 1 1 d . . . . .
O19 O 0.7985(5) 0.3857(4) 0.5857(3) 0.0591(16) Uani 1 1 d . . . . .
O20 O 0.7687(5) 0.2320(4) 0.5953(4) 0.0706(19) Uani 1 1 d . . . . .
O21 O 0.7664(4) 0.3230(3) 0.4584(3) 0.0506(15) Uani 1 1 d . . . . .
O22 O 0.7940(4) 0.3824(3) 0.3133(3) 0.0484(15) Uani 1 1 d . . . . .
O23 O 0.8190(4) 0.4715(3) 0.4271(3) 0.0391(13) Uani 1 1 d . . . . .
O24 O 0.6094(4) 0.5343(3) 0.3933(2) 0.0288(11) Uani 1 1 d . . . . .
O25 O 0.6245(4) 0.6359(3) 0.5087(2) 0.0358(12) Uani 1 1 d . . . . .
O26 O 0.4295(4) 0.6836(3) 0.4628(3) 0.0382(12) Uani 1 1 d . . . . .
Mo1 Mo 0.71787(5) -0.10019(4) 1.02376(3) 0.03053(16) Uani 1 1 d . . . . .
Mo2 Mo 0.56013(5) 0.08001(4) 0.97328(3) 0.02892(16) Uani 1 1 d . . . . .
Mo3 Mo 0.52150(5) -0.02032(4) 0.83824(3) 0.03197(16) Uani 1 1 d . . . . .
Mo5 Mo 0.68120(6) -0.20465(4) 0.88754(4) 0.03633(18) Uani 1 1 d . . . . .
Mo6 Mo 0.71238(6) 0.33500(5) 0.56943(5) 0.0488(2) Uani 1 1 d . . . . .
Mo7 Mo 0.50586(6) 0.51035(5) 0.65841(4) 0.03823(18) Uani 1 1 d . . . . .
Mo9 Mo 0.52753(5) 0.59686(4) 0.49569(3) 0.02661(15) Uani 1 1 d . . . . .
Mo10 Mo 0.73104(5) 0.42489(4) 0.40615(4) 0.03466(17) Uani 1 1 d . . . . .
Ag1 Ag 0.82830(5) -0.04912(4) 0.82955(3) 0.04250(17) Uani 1 1 d . . . . .
Ag2 Ag 0.83576(6) 0.50650(5) 0.55995(4) 0.05069(19) Uani 1 1 d . . . . .
C17A C 0.5093(12) 0.6190(9) 0.9180(8) 0.028(3) Uiso 0.5 1 d . . P C 1
H17A H 0.457819 0.608685 0.965350 0.034 Uiso 0.5 1 calc R U P C 1
H17B H 0.542820 0.658634 0.933213 0.034 Uiso 0.5 1 calc R U P C 1
C18A C 0.6076(15) 0.5307(12) 0.8824(10) 0.057(5) Uiso 0.5 1 d . . P C 1
H18A H 0.649632 0.505568 0.920520 0.085 Uiso 0.5 1 calc R U P C 1
H18B H 0.574895 0.490596 0.868224 0.085 Uiso 0.5 1 calc R U P C 1
H18C H 0.659926 0.540562 0.836076 0.085 Uiso 0.5 1 calc R U P C 1
C16A C 0.4412(7) 0.6614(6) 0.8636(5) 0.056(2) Uiso 0.5 1 d . . P C 1
H16A H 0.395105 0.627204 0.857664 0.067 Uiso 0.5 1 calc R U P C 1
H16B H 0.494951 0.658472 0.812294 0.067 Uiso 0.5 1 calc R U P C 1
C17B C 0.4558(16) 0.6277(12) 0.9546(10) 0.053(5) Uiso 0.5 1 d . . P C 2
H17C H 0.477266 0.667796 0.981649 0.063 Uiso 0.5 1 calc R U P C 2
H17D H 0.384232 0.623486 0.987379 0.063 Uiso 0.5 1 calc R U P C 2
C18B C 0.5515(17) 0.5389(14) 0.9343(12) 0.074(6) Uiso 0.5 1 d . . P C 2
H18D H 0.567043 0.513501 0.981861 0.111 Uiso 0.5 1 calc R U P C 2
H18E H 0.528414 0.500962 0.906753 0.111 Uiso 0.5 1 calc R U P C 2
H18F H 0.620678 0.544905 0.901070 0.111 Uiso 0.5 1 calc R U P C 2
C16B C 0.4412(7) 0.6614(6) 0.8636(5) 0.056(2) Uiso 0.5 1 d . . P C 2
H16C H 0.515435 0.656757 0.827632 0.067 Uiso 0.5 1 calc R U P C 2
H16D H 0.406507 0.628120 0.840150 0.067 Uiso 0.5 1 calc R U P C 2
C23A C 0.1117(9) 0.9328(7) 0.8366(6) 0.083(3) Uiso 0.5 1 d . . P D 3
H23A H 0.053903 0.905416 0.847436 0.099 Uiso 0.5 1 calc R U P D 3
H23B H 0.137550 0.936909 0.780148 0.099 Uiso 0.5 1 calc R U P D 3
C24 C 0.0596(14) 1.0348(10) 0.8888(10) 0.035(4) Uiso 0.5 1 d . . P D 3
H24A H 0.044149 1.027702 0.945102 0.042 Uiso 0.5 1 calc R U P D 3
H24B H 0.117118 1.062298 0.874300 0.042 Uiso 0.5 1 calc R U P D 3
C25A C -0.0488(14) 1.0906(11) 0.8697(9) 0.050(4) Uiso 0.5 1 d . . P D 3
H25A H -0.079083 1.147669 0.898220 0.075 Uiso 0.5 1 calc R U P D 3
H25B H -0.032578 1.097499 0.813962 0.075 Uiso 0.5 1 calc R U P D 3
H25C H -0.105295 1.063022 0.884519 0.075 Uiso 0.5 1 calc R U P D 3
C23B C 0.1117(9) 0.9328(7) 0.8366(6) 0.083(3) Uiso 0.5 1 d . . P D 4
H23C H 0.130552 0.908346 0.782799 0.099 Uiso 0.5 1 calc R U P D 4
H23D H 0.043764 0.921403 0.866882 0.099 Uiso 0.5 1 calc R U P D 4
C42 C 0.0812(14) 1.0268(11) 0.8359(10) 0.050(4) Uiso 0.5 1 d . . P D 4
H42A H 0.149998 1.042085 0.824745 0.060 Uiso 0.5 1 calc R U P D 4
H42B H 0.038573 1.050637 0.797184 0.060 Uiso 0.5 1 calc R U P D 4
C25B C 0.0096(15) 1.0580(12) 0.9141(9) 0.045(4) Uiso 0.5 1 d . . P D 4
H25D H -0.015878 1.121388 0.919939 0.068 Uiso 0.5 1 calc R U P D 4
H25E H -0.057046 1.041177 0.923849 0.068 Uiso 0.5 1 calc R U P D 4
H25F H 0.053485 1.032694 0.951189 0.068 Uiso 0.5 1 calc R U P D 4
C46A C 1.3028(9) 0.6942(7) 0.1865(6) 0.072(3) Uiso 0.5 1 d . . P E 5
H46A H 1.314990 0.729182 0.142728 0.108 Uiso 0.5 1 calc R U P E 5
H46B H 1.318582 0.716179 0.230759 0.108 Uiso 0.5 1 calc R U P E 5
H46C H 1.354232 0.633645 0.171815 0.108 Uiso 0.5 1 calc R U P E 5
O27A O 1.0431(6) 0.6724(5) 0.2899(4) 0.087(2) Uiso 0.5 1 d . . P E 5
C45A C 1.1604(14) 0.6581(11) 0.2618(9) 0.030(3) Uiso 0.5 1 d . . P E 5
H45A H 1.212399 0.617163 0.285356 0.036 Uiso 0.5 1 calc R U P E 5
N9A N 1.2013(11) 0.6988(9) 0.2048(7) 0.032(3) Uiso 0.5 1 d . . P E 5
C43 C 1.1348(17) 0.7526(14) 0.1616(11) 0.074(6) Uiso 0.5 1 d . . P E 5
H43A H 1.056966 0.752829 0.179142 0.112 Uiso 0.5 1 calc R U P E 5
H43B H 1.132820 0.811629 0.168277 0.112 Uiso 0.5 1 calc R U P E 5
H43C H 1.167497 0.731556 0.106785 0.112 Uiso 0.5 1 calc R U P E 5
C46B C 1.3028(9) 0.6942(7) 0.1865(6) 0.072(3) Uiso 0.5 1 d . . P F 6
H46D H 1.365248 0.647960 0.150753 0.108 Uiso 0.5 1 calc R U P F 6
H46E H 1.278268 0.746499 0.159035 0.108 Uiso 0.5 1 calc R U P F 6
H46F H 1.329280 0.706887 0.229528 0.108 Uiso 0.5 1 calc R U P F 6
O27B O 1.0431(6) 0.6724(5) 0.2899(4) 0.087(2) Uiso 0.5 1 d . . P F 6
C45B C 1.1018(16) 0.7127(14) 0.2690(10) 0.058(5) Uiso 0.5 1 d . . P F 6
H45B H 1.083733 0.771490 0.285058 0.070 Uiso 0.5 1 calc R U P F 6
N9B N 1.1954(16) 0.6629(13) 0.2203(11) 0.062(5) Uiso 0.5 1 d . . P F 6
C47 C 1.219(2) 0.5713(17) 0.2171(14) 0.109(8) Uiso 0.5 1 d . . P F 6
H47A H 1.291288 0.540987 0.178298 0.164 Uiso 0.5 1 calc R U P F 6
H47B H 1.223426 0.549958 0.267886 0.164 Uiso 0.5 1 calc R U P F 6
H47C H 1.156955 0.560462 0.202772 0.164 Uiso 0.5 1 calc R U P F 6


_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
C1 N2 1.340(10) . ?
C1 N1 1.351(9) . ?
C1 C2 1.392(11) . ?
C2 C3 1.370(13) . ?
C2 H2A 0.9500 . ?
C44 C23B 1.495(13) . ?
C44 C23A 1.495(13) . ?
C44 N7 1.508(9) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C3 C4 1.359(14) . ?
C3 H3A 0.9500 . ?
C4 C5 1.382(13) . ?
C4 H4A 0.9500 . ?
C5 N2 1.338(9) . ?
C5 N3 1.368(11) . ?
C6 N5 1.335(9) . ?
C6 N4 1.384(9) . ?
C6 C7 1.383(10) . ?
C7 C8 1.378(11) . ?
C7 H7A 0.9500 . ?
C8 C9 1.363(12) . ?
C8 H8A 0.9500 . ?
C9 C10 1.392(13) . ?
C9 H9A 0.9500 . ?
C10 N5 1.346(9) . ?
C10 N6 1.369(11) . ?
C11 N7 1.522(9) . ?
C11 C12 1.528(10) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.513(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.495(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 N7 1.518(9) . ?
C15 C16B 1.531(11) . ?
C15 C16A 1.531(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C19 C20 1.495(12) . ?
C19 N7 1.519(9) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.517(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.500(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C26 C27 1.512(11) . ?
C26 N8 1.513(8) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.457(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.514(11) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 N8 1.517(9) . ?
C30 C31 1.531(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.506(11) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.449(13) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.508(11) . ?
C34 N8 1.526(9) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.548(11) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.475(12) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.516(9) . ?
C38 N8 1.517(9) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.491(11) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.510(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
N1 H1A 0.8800 . ?
N1 H1B 0.8800 . ?
N2 Ag1 2.209(6) . ?
N3 H3B 0.8800 . ?
N3 H3C 0.8800 . ?
N4 H4B 0.8800 . ?
N4 H4C 0.8800 . ?
N5 Ag2 2.189(6) . ?
N6 H6A 0.8800 . ?
N6 H6B 0.8800 . ?
O1 Mo2 1.754(4) . ?
O1 Mo5 2.243(5) 2_657 ?
O2 Mo2 1.945(5) . ?
O2 Mo1 2.008(4) . ?
O2 Mo3 2.319(5) 2_657 ?
O3 Mo1 1.688(4) . ?
O4 Mo1 1.733(5) . ?
O4 Ag1 2.307(5) . ?
O5 Mo1 1.881(4) . ?
O5 Mo5 1.919(4) . ?
O6 Mo2 2.131(4) . ?
O6 Mo3 2.321(4) . ?
O6 Mo1 2.333(4) . ?
O6 Mo2 2.349(5) 2_657 ?
O6 Mo5 2.476(4) . ?
O7 Mo2 1.702(5) . ?
O7 Ag1 2.549(4) . ?
O8 Mo2 1.956(4) . ?
O8 Mo3 2.022(4) . ?
O8 Mo1 2.276(5) 2_657 ?
O9 Mo3 1.686(4) . ?
O10 Mo3 1.711(5) . ?
O11 Mo5 1.723(5) . ?
O11 Ag1 2.516(5) . ?
O12 Mo5 1.687(5) . ?
O13 Mo3 1.885(5) . ?
O13 Mo5 1.937(5) . ?
O14 Mo7 1.904(5) . ?
O14 Mo6 1.925(5) . ?
O15 Mo7 1.690(5) . ?
O16 Mo7 1.708(5) . ?
O17 Mo9 1.949(4) . ?
O17 Mo7 1.993(5) . ?
O17 Mo10 2.330(4) 2_666 ?
O18 Mo9 2.099(5) . ?
O18 Mo10 2.323(4) . ?
O18 Mo7 2.356(4) . ?
O18 Mo9 2.365(4) 2_666 ?
O18 Mo6 2.442(5) . ?
O19 Mo6 1.711(5) . ?
O19 Ag2 2.240(6) . ?
O20 Mo6 1.705(6) . ?
O21 Mo10 1.881(5) . ?
O21 Mo6 1.920(5) . ?
O22 Mo10 1.693(5) . ?
O23 Mo10 1.714(5) . ?
O23 Ag2 2.550(5) . ?
O24 Mo9 1.963(4) . ?
O24 Mo10 1.988(5) . ?
O24 Mo7 2.291(4) 2_666 ?
O25 Mo9 1.683(5) . ?
O26 Mo9 1.755(5) . ?
O26 Mo6 2.200(5) 2_666 ?
Mo2 Mo3 3.2165(7) . ?
Mo7 Mo9 3.2151(9) . ?
Mo9 Mo10 3.2032(8) . ?
C17A C16A 1.485(16) . ?
C17A C18A 1.57(2) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C16A H16A 0.9900 . ?
C16A H16B 0.9900 . ?
C17B C18B 1.52(3) . ?
C17B C16B 1.749(19) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C16B H16C 0.9900 . ?
C16B H16D 0.9900 . ?
C23A C24 1.764(19) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
C24 C25A 1.50(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C23B C42 1.463(19) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C42 C25B 1.45(2) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C46A N9A 1.252(15) . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
O27A C45A 1.411(17) . ?
C45A N9A 1.32(2) . ?
C45A H45A 0.9500 . ?
N9A C43 1.38(2) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C46B N9B 1.63(2) . ?
C46B H46D 0.9800 . ?
C46B H46E 0.9800 . ?
C46B H46F 0.9800 . ?
O27B C45B 1.177(19) . ?
C45B N9B 1.30(2) . ?
C45B H45B 0.9500 . ?
N9B C47 1.44(3) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?

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
N2 C1 N1 118.7(7) . . ?
N2 C1 C2 119.8(8) . . ?
N1 C1 C2 121.4(8) . . ?
C3 C2 C1 119.2(10) . . ?
C3 C2 H2A 120.4 . . ?
C1 C2 H2A 120.4 . . ?
C23B C44 N7 115.0(7) . . ?
C23A C44 N7 115.0(7) . . ?
C23A C44 H44A 108.5 . . ?
N7 C44 H44A 108.5 . . ?
C23A C44 H44B 108.5 . . ?
N7 C44 H44B 108.5 . . ?
H44A C44 H44B 107.5 . . ?
C4 C3 C2 120.4(9) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 118.7(9) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
N2 C5 N3 115.8(8) . . ?
N2 C5 C4 121.3(9) . . ?
N3 C5 C4 122.9(9) . . ?
N5 C6 N4 115.9(7) . . ?
N5 C6 C7 123.1(7) . . ?
N4 C6 C7 120.8(7) . . ?
C8 C7 C6 117.2(8) . . ?
C8 C7 H7A 121.4 . . ?
C6 C7 H7A 121.4 . . ?
C9 C8 C7 121.1(8) . . ?
C9 C8 H8A 119.5 . . ?
C7 C8 H8A 119.5 . . ?
C8 C9 C10 118.3(8) . . ?
C8 C9 H9A 120.9 . . ?
C10 C9 H9A 120.9 . . ?
N5 C10 N6 116.1(8) . . ?
N5 C10 C9 121.7(8) . . ?
N6 C10 C9 122.2(8) . . ?
N7 C11 C12 115.9(5) . . ?
N7 C11 H11A 108.3 . . ?
C12 C11 H11A 108.3 . . ?
N7 C11 H11B 108.3 . . ?
C12 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C13 C12 C11 110.2(6) . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C12 113.5(6) . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C12 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N7 C15 C16B 115.6(6) . . ?
N7 C15 C16A 115.6(6) . . ?
N7 C15 H15A 108.4 . . ?
C16A C15 H15A 108.4 . . ?
N7 C15 H15B 108.4 . . ?
C16A C15 H15B 108.4 . . ?
H15A C15 H15B 107.4 . . ?
C20 C19 N7 117.6(7) . . ?
C20 C19 H19A 107.9 . . ?
N7 C19 H19A 107.9 . . ?
C20 C19 H19B 107.9 . . ?
N7 C19 H19B 107.9 . . ?
H19A C19 H19B 107.2 . . ?
C19 C20 C21 110.0(10) . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20B 109.7 . . ?
C21 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 C20 112.9(11) . . ?
C22 C21 H21A 109.0 . . ?
C20 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
C20 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C27 C26 N8 115.5(7) . . ?
C27 C26 H26A 108.4 . . ?
N8 C26 H26A 108.4 . . ?
C27 C26 H26B 108.4 . . ?
N8 C26 H26B 108.4 . . ?
H26A C26 H26B 107.5 . . ?
C28 C27 C26 115.7(7) . . ?
C28 C27 H27A 108.4 . . ?
C26 C27 H27A 108.4 . . ?
C28 C27 H27B 108.4 . . ?
C26 C27 H27B 108.4 . . ?
H27A C27 H27B 107.4 . . ?
C27 C28 C29 115.5(7) . . ?
C27 C28 H28A 108.4 . . ?
C29 C28 H28A 108.4 . . ?
C27 C28 H28B 108.4 . . ?
C29 C28 H28B 108.4 . . ?
H28A C28 H28B 107.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N8 C30 C31 114.6(6) . . ?
N8 C30 H30A 108.6 . . ?
C31 C30 H30A 108.6 . . ?
N8 C30 H30B 108.6 . . ?
C31 C30 H30B 108.6 . . ?
H30A C30 H30B 107.6 . . ?
C32 C31 C30 112.8(7) . . ?
C32 C31 H31A 109.0 . . ?
C30 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C30 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
C33 C32 C31 112.8(8) . . ?
C33 C32 H32A 109.0 . . ?
C31 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 N8 113.7(6) . . ?
C35 C34 H34A 108.8 . . ?
N8 C34 H34A 108.8 . . ?
C35 C34 H34B 108.8 . . ?
N8 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
C34 C35 C36 110.8(7) . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C37 C36 C35 114.0(8) . . ?
C37 C36 H36A 108.8 . . ?
C35 C36 H36A 108.8 . . ?
C37 C36 H36B 108.8 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 N8 115.7(6) . . ?
C39 C38 H38A 108.3 . . ?
N8 C38 H38A 108.3 . . ?
C39 C38 H38B 108.3 . . ?
N8 C38 H38B 108.3 . . ?
H38A C38 H38B 107.4 . . ?
C40 C39 C38 112.2(7) . . ?
C40 C39 H39A 109.2 . . ?
C38 C39 H39A 109.2 . . ?
C40 C39 H39B 109.2 . . ?
C38 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C39 C40 C41 114.2(8) . . ?
C39 C40 H40A 108.7 . . ?
C41 C40 H40A 108.7 . . ?
C39 C40 H40B 108.7 . . ?
C41 C40 H40B 108.7 . . ?
H40A C40 H40B 107.6 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C1 N1 H1A 120.0 . . ?
C1 N1 H1B 120.0 . . ?
H1A N1 H1B 120.0 . . ?
C5 N2 C1 120.5(7) . . ?
C5 N2 Ag1 120.5(6) . . ?
C1 N2 Ag1 118.7(5) . . ?
C5 N3 H3B 120.0 . . ?
C5 N3 H3C 120.0 . . ?
H3B N3 H3C 120.0 . . ?
C6 N4 H4B 120.0 . . ?
C6 N4 H4C 120.0 . . ?
H4B N4 H4C 120.0 . . ?
C6 N5 C10 118.5(7) . . ?
C6 N5 Ag2 121.3(5) . . ?
C10 N5 Ag2 120.0(6) . . ?
C10 N6 H6A 120.0 . . ?
C10 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
C44 N7 C15 105.6(5) . . ?
C44 N7 C19 112.7(6) . . ?
C15 N7 C19 111.0(6) . . ?
C44 N7 C11 111.8(6) . . ?
C15 N7 C11 110.5(6) . . ?
C19 N7 C11 105.3(5) . . ?
C26 N8 C38 107.3(6) . . ?
C26 N8 C30 111.4(5) . . ?
C38 N8 C30 110.1(5) . . ?
C26 N8 C34 110.5(5) . . ?
C38 N8 C34 110.6(6) . . ?
C30 N8 C34 107.1(5) . . ?
Mo2 O1 Mo5 118.2(2) . 2_657 ?
Mo2 O2 Mo1 109.20(19) . . ?
Mo2 O2 Mo3 110.2(2) . 2_657 ?
Mo1 O2 Mo3 103.2(2) . 2_657 ?
Mo1 O4 Ag1 126.3(2) . . ?
Mo1 O5 Mo5 118.2(3) . . ?
Mo2 O6 Mo3 92.42(17) . . ?
Mo2 O6 Mo1 92.32(15) . . ?
Mo3 O6 Mo1 163.4(2) . . ?
Mo2 O6 Mo2 104.42(17) . 2_657 ?
Mo3 O6 Mo2 97.23(16) . 2_657 ?
Mo1 O6 Mo2 96.95(17) . 2_657 ?
Mo2 O6 Mo5 164.7(2) . . ?
Mo3 O6 Mo5 85.91(13) . . ?
Mo1 O6 Mo5 85.33(14) . . ?
Mo2 O6 Mo5 90.88(16) 2_657 . ?
Mo2 O7 Ag1 118.8(2) . . ?
Mo2 O8 Mo3 107.9(2) . . ?
Mo2 O8 Mo1 111.7(2) . 2_657 ?
Mo3 O8 Mo1 104.26(19) . 2_657 ?
Mo5 O11 Ag1 121.7(2) . . ?
Mo3 O13 Mo5 117.7(2) . . ?
Mo7 O14 Mo6 116.1(3) . . ?
Mo9 O17 Mo7 109.3(2) . . ?
Mo9 O17 Mo10 110.2(2) . 2_666 ?
Mo7 O17 Mo10 102.82(19) . 2_666 ?
Mo9 O18 Mo10 92.72(16) . . ?
Mo9 O18 Mo7 92.21(15) . . ?
Mo10 O18 Mo7 163.7(2) . . ?
Mo9 O18 Mo9 104.46(17) . 2_666 ?
Mo10 O18 Mo9 97.14(15) . 2_666 ?
Mo7 O18 Mo9 96.66(15) . 2_666 ?
Mo9 O18 Mo6 164.7(2) . . ?
Mo10 O18 Mo6 85.95(14) . . ?
Mo7 O18 Mo6 85.20(14) . . ?
Mo9 O18 Mo6 90.86(15) 2_666 . ?
Mo6 O19 Ag2 140.8(3) . . ?
Mo10 O21 Mo6 117.5(3) . . ?
Mo10 O23 Ag2 128.0(2) . . ?
Mo9 O24 Mo10 108.4(2) . . ?
Mo9 O24 Mo7 111.76(19) . 2_666 ?
Mo10 O24 Mo7 104.36(19) . 2_666 ?
Mo9 O26 Mo6 119.6(2) . 2_666 ?
O3 Mo1 O4 104.6(2) . . ?
O3 Mo1 O5 102.6(2) . . ?
O4 Mo1 O5 101.3(2) . . ?
O3 Mo1 O2 100.7(2) . . ?
O4 Mo1 O2 95.9(2) . . ?
O5 Mo1 O2 146.31(19) . . ?
O3 Mo1 O8 91.6(2) . 2_657 ?
O4 Mo1 O8 161.74(19) . 2_657 ?
O5 Mo1 O8 82.98(18) . 2_657 ?
O2 Mo1 O8 72.35(18) . 2_657 ?
O3 Mo1 O6 163.1(2) . . ?
O4 Mo1 O6 91.76(19) . . ?
O5 Mo1 O6 77.66(17) . . ?
O2 Mo1 O6 73.06(16) . . ?
O8 Mo1 O6 71.66(16) 2_657 . ?
O7 Mo2 O1 105.6(2) . . ?
O7 Mo2 O2 101.3(2) . . ?
O1 Mo2 O2 95.90(19) . . ?
O7 Mo2 O8 101.6(2) . . ?
O1 Mo2 O8 96.18(19) . . ?
O2 Mo2 O8 150.1(2) . . ?
O7 Mo2 O6 97.7(2) . . ?
O1 Mo2 O6 156.7(2) . . ?
O2 Mo2 O6 79.04(17) . . ?
O8 Mo2 O6 79.07(17) . . ?
O7 Mo2 O6 173.26(18) . 2_657 ?
O1 Mo2 O6 81.1(2) . 2_657 ?
O2 Mo2 O6 77.97(18) . 2_657 ?
O8 Mo2 O6 77.02(17) . 2_657 ?
O6 Mo2 O6 75.58(17) . 2_657 ?
O7 Mo2 Mo3 89.31(14) . . ?
O1 Mo2 Mo3 132.92(14) . . ?
O2 Mo2 Mo3 125.15(13) . . ?
O8 Mo2 Mo3 36.75(13) . . ?
O6 Mo2 Mo3 46.14(11) . . ?
O6 Mo2 Mo3 85.75(9) 2_657 . ?
O9 Mo3 O10 105.5(2) . . ?
O9 Mo3 O13 102.2(2) . . ?
O10 Mo3 O13 102.2(2) . . ?
O9 Mo3 O8 99.35(19) . . ?
O10 Mo3 O8 95.5(2) . . ?
O13 Mo3 O8 147.15(19) . . ?
O9 Mo3 O2 89.5(2) . 2_657 ?
O10 Mo3 O2 161.59(17) . 2_657 ?
O13 Mo3 O2 84.47(18) . 2_657 ?
O8 Mo3 O2 71.18(17) . 2_657 ?
O9 Mo3 O6 161.2(2) . . ?
O10 Mo3 O6 92.56(18) . . ?
O13 Mo3 O6 78.37(17) . . ?
O8 Mo3 O6 73.34(16) . . ?
O2 Mo3 O6 71.77(16) 2_657 . ?
O9 Mo3 Mo2 134.61(16) . . ?
O10 Mo3 Mo2 82.92(14) . . ?
O13 Mo3 Mo2 119.79(13) . . ?
O8 Mo3 Mo2 35.35(12) . . ?
O2 Mo3 Mo2 78.91(10) 2_657 . ?
O6 Mo3 Mo2 41.44(11) . . ?
O12 Mo5 O11 105.2(2) . . ?
O12 Mo5 O5 104.7(2) . . ?
O11 Mo5 O5 97.3(2) . . ?
O12 Mo5 O13 101.9(2) . . ?
O11 Mo5 O13 98.1(2) . . ?
O5 Mo5 O13 144.37(19) . . ?
O12 Mo5 O1 91.3(2) . 2_657 ?
O11 Mo5 O1 163.5(2) . 2_657 ?
O5 Mo5 O1 77.93(18) . 2_657 ?
O13 Mo5 O1 78.24(18) . 2_657 ?
O12 Mo5 O6 161.0(2) . . ?
O11 Mo5 O6 93.7(2) . . ?
O5 Mo5 O6 73.47(17) . . ?
O13 Mo5 O6 73.62(16) . . ?
O1 Mo5 O6 69.78(16) 2_657 . ?
O20 Mo6 O19 105.1(3) . . ?
O20 Mo6 O21 103.7(3) . . ?
O19 Mo6 O21 96.9(3) . . ?
O20 Mo6 O14 102.1(3) . . ?
O19 Mo6 O14 96.9(3) . . ?
O21 Mo6 O14 146.3(2) . . ?
O20 Mo6 O26 95.4(2) . 2_666 ?
O19 Mo6 O26 159.5(2) . 2_666 ?
O21 Mo6 O26 78.5(2) . 2_666 ?
O14 Mo6 O26 77.85(18) . 2_666 ?
O20 Mo6 O18 165.5(2) . . ?
O19 Mo6 O18 89.4(2) . . ?
O21 Mo6 O18 74.19(18) . . ?
O14 Mo6 O18 75.41(18) . . ?
O26 Mo6 O18 70.12(16) 2_666 . ?
O15 Mo7 O16 105.3(2) . . ?
O15 Mo7 O14 101.5(3) . . ?
O16 Mo7 O14 101.6(3) . . ?
O15 Mo7 O17 100.9(2) . . ?
O16 Mo7 O17 96.6(2) . . ?
O14 Mo7 O17 146.08(19) . . ?
O15 Mo7 O24 89.48(19) . 2_666 ?
O16 Mo7 O24 163.1(2) . 2_666 ?
O14 Mo7 O24 82.97(18) . 2_666 ?
O17 Mo7 O24 72.09(17) . 2_666 ?
O15 Mo7 O18 161.0(2) . . ?
O16 Mo7 O18 93.3(2) . . ?
O14 Mo7 O18 77.95(18) . . ?
O17 Mo7 O18 72.64(16) . . ?
O24 Mo7 O18 71.56(14) 2_666 . ?
O15 Mo7 Mo9 135.8(2) . . ?
O16 Mo7 Mo9 85.07(18) . . ?
O14 Mo7 Mo9 118.66(15) . . ?
O17 Mo7 Mo9 34.89(12) . . ?
O24 Mo7 Mo9 78.53(12) 2_666 . ?
O18 Mo7 Mo9 40.71(11) . . ?
O25 Mo9 O26 104.5(2) . . ?
O25 Mo9 O17 104.0(2) . . ?
O26 Mo9 O17 95.6(2) . . ?
O25 Mo9 O24 99.64(19) . . ?
O26 Mo9 O24 95.5(2) . . ?
O17 Mo9 O24 150.37(19) . . ?
O25 Mo9 O18 100.5(2) . . ?
O26 Mo9 O18 155.0(2) . . ?
O17 Mo9 O18 79.58(18) . . ?
O24 Mo9 O18 78.71(18) . . ?
O25 Mo9 O18 175.29(19) . 2_666 ?
O26 Mo9 O18 79.44(19) . 2_666 ?
O17 Mo9 O18 78.02(16) . 2_666 ?
O24 Mo9 O18 77.19(16) . 2_666 ?
O18 Mo9 O18 75.54(17) . 2_666 ?
O25 Mo9 Mo10 89.61(16) . . ?
O26 Mo9 Mo10 131.60(15) . . ?
O17 Mo9 Mo10 125.97(15) . . ?
O24 Mo9 Mo10 36.08(14) . . ?
O18 Mo9 Mo10 46.41(11) . . ?
O18 Mo9 Mo10 85.79(10) 2_666 . ?
O25 Mo9 Mo7 93.64(16) . . ?
O26 Mo9 Mo7 131.39(15) . . ?
O17 Mo9 Mo7 35.81(15) . . ?
O24 Mo9 Mo7 125.73(14) . . ?
O18 Mo9 Mo7 47.08(11) . . ?
O18 Mo9 Mo7 85.53(11) 2_666 . ?
Mo10 Mo9 Mo7 92.38(2) . . ?
O22 Mo10 O23 105.0(2) . . ?
O22 Mo10 O21 100.2(2) . . ?
O23 Mo10 O21 102.0(2) . . ?
O22 Mo10 O24 101.6(2) . . ?
O23 Mo10 O24 96.8(2) . . ?
O21 Mo10 O24 146.3(2) . . ?
O22 Mo10 O18 160.4(2) . . ?
O23 Mo10 O18 94.44(19) . . ?
O21 Mo10 O18 77.87(19) . . ?
O24 Mo10 O18 72.99(16) . . ?
O22 Mo10 O17 88.4(2) . 2_666 ?
O23 Mo10 O17 163.93(19) . 2_666 ?
O21 Mo10 O17 84.0(2) . 2_666 ?
O24 Mo10 O17 71.34(18) . 2_666 ?
O18 Mo10 O17 72.01(14) . 2_666 ?
O22 Mo10 Mo9 137.2(2) . . ?
O23 Mo10 Mo9 84.92(16) . . ?
O21 Mo10 Mo9 118.72(15) . . ?
O24 Mo10 Mo9 35.56(12) . . ?
O18 Mo10 Mo9 40.88(11) . . ?
O17 Mo10 Mo9 79.16(11) 2_666 . ?
N2 Ag1 O4 147.11(19) . . ?
N2 Ag1 O11 102.22(19) . . ?
O4 Ag1 O11 80.70(16) . . ?
N2 Ag1 O7 124.2(2) . . ?
O4 Ag1 O7 77.01(15) . . ?
O11 Ag1 O7 122.91(15) . . ?
N5 Ag2 O19 167.6(2) . . ?
N5 Ag2 O23 109.07(19) . . ?
O19 Ag2 O23 81.78(19) . . ?
C16A C17A C18A 112.9(11) . . ?
C16A C17A H17A 109.0 . . ?
C18A C17A H17A 109.0 . . ?
C16A C17A H17B 109.0 . . ?
C18A C17A H17B 109.0 . . ?
H17A C17A H17B 107.8 . . ?
C17A C18A H18A 109.5 . . ?
C17A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C17A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C17A C16A C15 116.6(8) . . ?
C17A C16A H16A 108.1 . . ?
C15 C16A H16A 108.1 . . ?
C17A C16A H16B 108.1 . . ?
C15 C16A H16B 108.1 . . ?
H16A C16A H16B 107.3 . . ?
C18B C17B C16B 102.5(13) . . ?
C18B C17B H17C 111.3 . . ?
C16B C17B H17C 111.3 . . ?
C18B C17B H17D 111.3 . . ?
C16B C17B H17D 111.3 . . ?
H17C C17B H17D 109.2 . . ?
C17B C18B H18D 109.5 . . ?
C17B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C17B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C15 C16B C17B 100.2(8) . . ?
C15 C16B H16C 111.7 . . ?
C17B C16B H16C 111.7 . . ?
C15 C16B H16D 111.7 . . ?
C17B C16B H16D 111.7 . . ?
H16C C16B H16D 109.5 . . ?
C44 C23A C24 99.8(8) . . ?
C44 C23A H23A 111.8 . . ?
C24 C23A H23A 111.8 . . ?
C44 C23A H23B 111.8 . . ?
C24 C23A H23B 111.8 . . ?
H23A C23A H23B 109.5 . . ?
C25A C24 C23A 108.2(12) . . ?
C25A C24 H24A 110.0 . . ?
C23A C24 H24A 110.0 . . ?
C25A C24 H24B 110.0 . . ?
C23A C24 H24B 110.0 . . ?
H24A C24 H24B 108.4 . . ?
C24 C25A H25A 109.5 . . ?
C24 C25A H25B 109.5 . . ?
H25A C25A H25B 109.5 . . ?
C24 C25A H25C 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C42 C23B C44 115.5(11) . . ?
C42 C23B H23C 108.4 . . ?
C44 C23B H23C 108.4 . . ?
C42 C23B H23D 108.4 . . ?
C44 C23B H23D 108.4 . . ?
H23C C23B H23D 107.5 . . ?
C25B C42 C23B 102.8(14) . . ?
C25B C42 H42A 111.2 . . ?
C23B C42 H42A 111.2 . . ?
C25B C42 H42B 111.2 . . ?
C23B C42 H42B 111.2 . . ?
H42A C42 H42B 109.1 . . ?
C42 C25B H25D 109.5 . . ?
C42 C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C42 C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
N9A C46A H46A 109.5 . . ?
N9A C46A H46B 109.5 . . ?
H46A C46A H46B 109.5 . . ?
N9A C46A H46C 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
N9A C45A O27A 123.2(14) . . ?
N9A C45A H45A 118.4 . . ?
O27A C45A H45A 118.4 . . ?
C46A N9A C45A 122.9(14) . . ?
C46A N9A C43 114.2(15) . . ?
C45A N9A C43 122.8(14) . . ?
N9A C43 H43A 109.5 . . ?
N9A C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N9A C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N9B C46B H46D 109.5 . . ?
N9B C46B H46E 109.5 . . ?
H46D C46B H46E 109.5 . . ?
N9B C46B H46F 109.5 . . ?
H46D C46B H46F 109.5 . . ?
H46E C46B H46F 109.5 . . ?
O27B C45B N9B 108.1(19) . . ?
O27B C45B H45B 125.9 . . ?
N9B C45B H45B 125.9 . . ?
C45B N9B C47 117(2) . . ?
C45B N9B C46B 121.6(17) . . ?
C47 N9B C46B 117.8(17) . . ?
N9B C47 H47A 109.5 . . ?
N9B C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N9B C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?

_refine_diff_density_max         1.511
_refine_diff_density_min         -2.104
_refine_diff_density_rms         0.169

_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2


