# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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 
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data_ems163-2
_database_code_depnum_ccdc_archive 'CCDC 1864891'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-11-06 downloaded from the CCDC.
;

# start Validation Reply Form

_vrf_PLAT214_ems163-2            
;
PROBLEM: Atom O8A       (Anion/Solvent) ADP max/min Ratio        5.7 prolat
RESPONSE: This atom belongs to the disordered tefonate anion.
;
_vrf_PLAT221_ems163-2            
;
PROBLEM: Solv./Anion  Resd 3  C   Ueq(max)/Ueq(min) Range       10.0 Ratio 
RESPONSE: These atoms belong to the severely disordered (even at 10K!) 
teflonate anion.
;
# end Validation Reply Form 

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            
'C101.45 H48.54 Ag2 Al2 Cl2.90 F72 Mo8 N2 O24 P8'
_chemical_formula_weight         4435.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -1.0100 0.9900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0580 0.0460 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1360 0.1430 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0160 0.0090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -2.1330 0.6340 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0100 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0950 0.0860 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_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'

_cell_length_a                   20.930(6)
_cell_length_b                   21.739(2)
_cell_length_c                   30.936(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14076(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    10(2)
_cell_measurement_reflns_used    79257
_cell_measurement_theta_min      1.1
_cell_measurement_theta_max      31.4

_exptl_crystal_description       'elongated thin plate'
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_F_000             8546.2
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    1.048
_shelx_estimated_absorpt_T_min   0.859
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      10(2)
_diffrn_radiation_wavelength     0.6702
_diffrn_ambient_environment      Helium
_diffrn_source                   'DESY PetraIII P11 beamline'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_measurement_device_type  '1-cycle diffractometer'
_diffrn_measurement_method       φ-scans
_diffrn_detector                 'pixel array detector'
_diffrn_detector_area_resol_mean 5.814
_diffrn_detector_type            'DECTIRS PILATUS 6M'
_diffrn_reflns_number            103797
_diffrn_reflns_av_unetI/netI     0.0658
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.080
_diffrn_reflns_theta_max         31.441
_diffrn_reflns_theta_full        23.700
_diffrn_measured_fraction_theta_max 0.754
_diffrn_measured_fraction_theta_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.754
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.757
_diffrn_reflns_point_group_measured_fraction_full 0.969
_reflns_number_total             40700
_reflns_number_gt                37247
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.895
_reflns_Friedel_fraction_max     0.761
_reflns_Friedel_fraction_full    0.975

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0670P)²+20.5125P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.50(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         40700
_refine_ls_number_parameters     2663
_refine_ls_number_restraints     149
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1376
_refine_ls_wR_factor_gt          0.1332
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.010
_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
Ag1 Ag 0.36266(2) 0.48127(2) 0.77175(2) 0.01938(9) Uani 1 1 d . . . . .
Ag2 Ag 0.13779(2) 0.52530(2) 0.72645(2) 0.01956(9) Uani 1 1 d . . . . .
Mo1 Mo 0.30103(3) 0.67526(3) 0.70716(2) 0.02019(11) Uani 1 1 d . . . . .
Mo2 Mo 0.26477(3) 0.66686(2) 0.80205(2) 0.01892(11) Uani 1 1 d . . . . .
Mo3 Mo 0.19764(3) 0.33136(3) 0.79073(2) 0.02036(11) Uani 1 1 d . . . . .
Mo4 Mo 0.23652(3) 0.33812(2) 0.69644(2) 0.01908(11) Uani 1 1 d . . . . .
Mo5 Mo 0.54300(3) 0.40957(3) 0.69686(2) 0.02928(14) Uani 1 1 d . . . . .
Mo6 Mo 0.56761(3) 0.53587(3) 0.73282(2) 0.02668(13) Uani 1 1 d . . . . .
Mo7 Mo -0.04349(3) 0.59126(3) 0.80636(3) 0.03058(15) Uani 1 1 d . . . . .
Mo8 Mo -0.06628(3) 0.47103(3) 0.76161(2) 0.02767(14) Uani 1 1 d . . . . .
P1 P 0.31254(8) 0.58530(8) 0.75828(6) 0.0209(3) Uani 1 1 d . . . . .
P2 P 0.22001(7) 0.60721(8) 0.73848(6) 0.0205(3) Uani 1 1 d . . . . .
P3 P 0.18757(8) 0.42066(7) 0.73895(6) 0.0205(3) Uani 1 1 d . . . . .
P4 P 0.27961(8) 0.39918(8) 0.76003(6) 0.0205(3) Uani 1 1 d . . . . .
P5 P 0.47074(8) 0.46877(9) 0.74164(6) 0.0263(3) Uani 1 1 d . . . . .
P6 P 0.55218(9) 0.44226(12) 0.77614(8) 0.0366(5) Uani 1 1 d . . . . .
P7 P 0.03082(8) 0.53902(9) 0.75857(7) 0.0260(3) Uani 1 1 d . . . . .
P8 P -0.04924(10) 0.57103(12) 0.72527(8) 0.0385(5) Uani 1 1 d . . . . .
C11C C 0.3915(3) 0.6760(3) 0.7263(3) 0.0270(13) Uani 1 1 d . . . . .
C12C C 0.3219(4) 0.6076(3) 0.6660(3) 0.0285(14) Uani 1 1 d . . . . .
O11C O 0.4451(2) 0.6805(3) 0.7358(2) 0.0358(13) Uani 1 1 d . . . . .
O12C O 0.3343(3) 0.5698(3) 0.6415(2) 0.0385(14) Uani 1 1 d . . . . .
C21C C 0.1865(3) 0.7126(3) 0.7843(2) 0.0266(14) Uani 1 1 d . . . . .
C22C C 0.2074(3) 0.6073(3) 0.8308(2) 0.0253(13) Uani 1 1 d . . . . .
O21C O 0.1413(3) 0.7392(2) 0.77560(19) 0.0325(11) Uani 1 1 d . . . . .
O22C O 0.1735(3) 0.5744(3) 0.8493(2) 0.0350(12) Uani 1 1 d . . . . .
C31C C 0.1718(3) 0.3996(3) 0.8306(2) 0.0248(13) Uani 1 1 d . . . . .
C32C C 0.1070(3) 0.3280(3) 0.7698(2) 0.0252(13) Uani 1 1 d . . . . .
O31C O 0.1578(3) 0.4361(3) 0.8545(2) 0.0359(13) Uani 1 1 d . . . . .
O32C O 0.0561(2) 0.3244(3) 0.7588(2) 0.0376(13) Uani 1 1 d . . . . .
C41C C 0.2934(4) 0.3996(3) 0.6686(2) 0.0274(14) Uani 1 1 d . . . . .
C42C C 0.3156(3) 0.2936(3) 0.7153(2) 0.0237(13) Uani 1 1 d . . . . .
O41C O 0.3245(3) 0.4342(3) 0.6512(2) 0.0373(13) Uani 1 1 d . . . . .
O42C O 0.3601(3) 0.2665(3) 0.7242(2) 0.0348(12) Uani 1 1 d . . . . .
C51C C 0.5127(5) 0.3360(6) 0.7345(5) 0.032(3) Uani 0.6667 1 d . . P A 1
O51C O 0.4949(4) 0.2949(4) 0.7517(4) 0.042(2) Uani 0.6667 1 d . . P A 1
C52C C 0.5125(17) 0.3364(16) 0.7154(12) 0.045(9) Uiso 0.3333 1 d . . P A 2
O52C O 0.4958(14) 0.2841(14) 0.7241(10) 0.066(7) Uiso 0.3333 1 d . . P A 2
C53C C 0.6323(4) 0.3915(4) 0.7151(3) 0.0347(17) Uani 1 1 d . . . . .
O53C O 0.6841(3) 0.3806(3) 0.7244(2) 0.0394(13) Uani 1 1 d . . . . .
C61C C 0.5047(3) 0.5656(3) 0.6893(3) 0.0279(14) Uani 1 1 d . . . . .
O61C O 0.4713(3) 0.5853(3) 0.6640(2) 0.0405(14) Uani 1 1 d . . . . .
C62C C 0.5226(9) 0.5822(8) 0.7756(6) 0.015(3) Uani 0.5 1 d . U P B 1
O62C O 0.4998(9) 0.6117(9) 0.8038(7) 0.028(3) Uani 0.5 1 d . . P B 1
C63C C 0.5140(10) 0.5679(12) 0.7844(8) 0.032(5) Uani 0.5 1 d . . P B 2
O63C O 0.4859(10) 0.5928(10) 0.8096(8) 0.041(5) Uani 0.5 1 d . . P B 2
C71C C -0.1310(4) 0.6115(4) 0.7875(3) 0.0332(16) Uani 1 1 d . . . . .
O71C O -0.1828(3) 0.6247(3) 0.7779(2) 0.0385(13) Uani 1 1 d . . . . .
C73C C -0.0132(9) 0.6703(9) 0.7876(6) 0.030(4) Uani 0.62 1 d . . P C 1
O73C O 0.0057(5) 0.7172(5) 0.7758(5) 0.047(3) Uani 0.62 1 d . . P C 1
C72C C -0.0101(17) 0.6684(16) 0.7688(11) 0.039(9) Uani 0.38 1 d . . P C 2
O72C O 0.0079(12) 0.7089(11) 0.7471(10) 0.066(7) Uani 0.38 1 d . . P C 2
C81C C -0.0136(4) 0.4346(4) 0.7150(3) 0.0368(19) Uani 1 1 d . . . . .
C82C C -0.0072(3) 0.4359(3) 0.8050(3) 0.0309(15) Uani 1 1 d . . . . .
O81C O 0.0155(3) 0.4145(3) 0.6866(2) 0.0396(14) Uani 1 1 d . . . . .
O82C O 0.0253(3) 0.4141(3) 0.8306(2) 0.0398(14) Uani 1 1 d . . . . .
C11P C 0.3209(3) 0.7776(3) 0.6893(3) 0.0294(15) Uani 1 1 d . . . . .
H11P H 0.358312 0.802455 0.699154 0.035 Uiso 1 1 calc R U . . .
C12P C 0.3182(4) 0.7417(4) 0.6508(3) 0.0337(17) Uani 1 1 d . . . . .
H12P H 0.353132 0.738125 0.628947 0.040 Uiso 1 1 calc R U . . .
C13P C 0.2543(4) 0.7172(4) 0.6461(3) 0.0321(16) Uani 1 1 d . . . . .
H13P H 0.236898 0.694257 0.620712 0.038 Uiso 1 1 calc R U . . .
C14P C 0.2190(3) 0.7399(4) 0.6825(3) 0.0294(15) Uani 1 1 d . . . . .
H14P H 0.172299 0.733168 0.687569 0.035 Uiso 1 1 calc R U . . .
C15P C 0.2597(3) 0.7771(3) 0.7088(3) 0.0264(13) Uani 1 1 d . . . . .
H15P H 0.246679 0.800482 0.735150 0.032 Uiso 1 1 calc R U . . .
C21P C 0.2929(3) 0.7570(3) 0.8376(2) 0.0259(13) Uani 1 1 d . . . . .
H21P H 0.271402 0.797808 0.834153 0.031 Uiso 1 1 calc R U . . .
C22P C 0.3482(4) 0.7374(4) 0.8152(3) 0.0308(15) Uani 1 1 d . . . . .
H22P H 0.371857 0.761447 0.792758 0.037 Uiso 1 1 calc R U . . .
C23P C 0.3671(3) 0.6797(3) 0.8326(3) 0.0300(15) Uani 1 1 d . . . . .
H23P H 0.406344 0.656121 0.824392 0.036 Uiso 1 1 calc R U . . .
C24P C 0.3232(4) 0.6632(4) 0.8655(3) 0.0314(15) Uani 1 1 d . . . . .
H24P H 0.326892 0.627213 0.885513 0.038 Uiso 1 1 calc R U . . .
C25P C 0.2769(4) 0.7120(3) 0.8683(3) 0.0277(14) Uani 1 1 d . . . . .
H25P H 0.242950 0.715939 0.890863 0.033 Uiso 1 1 calc R U . . .
C31P C 0.2411(4) 0.2895(4) 0.8517(3) 0.0364(17) Uani 1 1 d . . . . .
H31P H 0.256834 0.313658 0.877029 0.044 Uiso 1 1 calc R U . . .
C32P C 0.2800(4) 0.2688(4) 0.8172(3) 0.0327(16) Uani 1 1 d . . . . .
H32P H 0.326984 0.275790 0.813769 0.039 Uiso 1 1 calc R U . . .
C33P C 0.2409(4) 0.2308(3) 0.7911(3) 0.0279(14) Uani 1 1 d . . . . .
H33P H 0.255138 0.207126 0.765085 0.033 Uiso 1 1 calc R U . . .
C34P C 0.1788(4) 0.2293(3) 0.8098(3) 0.0311(15) Uani 1 1 d . . . . .
H34P H 0.142260 0.203508 0.799597 0.037 Uiso 1 1 calc R U . . .
C35P C 0.1796(4) 0.2656(4) 0.8477(3) 0.0326(16) Uani 1 1 d . . . . .
H35P H 0.144480 0.269012 0.869490 0.039 Uiso 1 1 calc R U . . .
C41P C 0.1536(3) 0.2669(3) 0.6824(2) 0.0254(13) Uani 1 1 d . . . . .
H41P H 0.128826 0.243550 0.704618 0.031 Uiso 1 1 calc R U . . .
C42P C 0.1364(3) 0.3248(3) 0.6643(2) 0.0291(14) Uani 1 1 d . . . . .
H42P H 0.096931 0.348736 0.671381 0.035 Uiso 1 1 calc R U . . .
C43P C 0.1802(4) 0.3397(3) 0.6324(2) 0.0287(14) Uani 1 1 d . . . . .
H43P H 0.177044 0.375578 0.612315 0.034 Uiso 1 1 calc R U . . .
C44P C 0.2264(4) 0.2917(4) 0.6296(2) 0.0289(14) Uani 1 1 d . . . . .
H44P H 0.260658 0.287778 0.607207 0.035 Uiso 1 1 calc R U . . .
C45P C 0.2100(3) 0.2466(3) 0.6616(3) 0.0282(14) Uani 1 1 d . . . . .
H45P H 0.231319 0.205925 0.665827 0.034 Uiso 1 1 calc R U . . .
C51P C 0.5816(5) 0.3993(7) 0.6280(3) 0.057(3) Uani 1 1 d . . . . .
H51P H 0.627792 0.396361 0.620159 0.068 Uiso 1 1 calc R U . . .
C52P C 0.5444(5) 0.4550(6) 0.6277(3) 0.046(2) Uani 1 1 d . . . . .
H52P H 0.559712 0.497261 0.620092 0.055 Uiso 1 1 calc R U . . .
C53P C 0.4797(5) 0.4366(5) 0.6371(3) 0.044(2) Uani 1 1 d . . . . .
H53P H 0.441324 0.464028 0.637550 0.053 Uiso 1 1 calc R U . . .
C54P C 0.4798(6) 0.3731(5) 0.6414(4) 0.066(4) Uani 1 1 d . . . . .
H54P H 0.440723 0.347190 0.645313 0.079 Uiso 1 1 calc R U . . .
C55P C 0.5423(6) 0.3501(6) 0.6362(4) 0.064(4) Uani 1 1 d . . . . .
H55P H 0.554651 0.305686 0.634595 0.077 Uiso 1 1 calc R U . . .
C61P C 0.6446(16) 0.5924(14) 0.6987(12) 0.029(7) Uani 0.44 1 d . . P B 1
H61A H 0.641323 0.613606 0.670048 0.035 Uiso 0.44 1 calc R U P B 1
C62P C 0.670(2) 0.526(2) 0.708(2) 0.053(18) Uani 0.44 1 d . . P B 1
H62A H 0.684003 0.496021 0.685078 0.064 Uiso 0.44 1 calc R U P B 1
C63P C 0.6749(16) 0.5155(12) 0.7519(12) 0.035(7) Uani 0.44 1 d . . P B 1
H63A H 0.691470 0.477551 0.766220 0.042 Uiso 0.44 1 calc R U P B 1
C64P C 0.6514(13) 0.5733(14) 0.7742(10) 0.036(6) Uani 0.44 1 d . U P B 1
H64A H 0.650454 0.580486 0.806107 0.043 Uiso 0.44 1 calc R U P B 1
C65P C 0.6300(14) 0.6175(14) 0.7405(11) 0.034(7) Uani 0.44 1 d . . P B 1
H65A H 0.614796 0.660362 0.746140 0.040 Uiso 0.44 1 calc R U P B 1
C66P C 0.6713(13) 0.5331(18) 0.7000(14) 0.032(6) Uani 0.56 1 d . . P B 2
H66A H 0.685608 0.498866 0.680691 0.038 Uiso 0.56 1 calc R U P B 2
C67P C 0.6774(9) 0.5310(8) 0.7448(7) 0.020(3) Uani 0.56 1 d . U P B 2
H67A H 0.700600 0.499006 0.761893 0.024 Uiso 0.56 1 calc R U P B 2
C68P C 0.6345(12) 0.6217(12) 0.7226(8) 0.037(6) Uani 0.56 1 d . . P B 2
H68A H 0.620410 0.665621 0.722590 0.044 Uiso 0.56 1 calc R U P B 2
C69P C 0.6568(9) 0.5880(11) 0.7597(8) 0.036(4) Uani 0.56 1 d . . P B 2
H69A H 0.662120 0.604544 0.789652 0.043 Uiso 0.56 1 calc R U P B 2
C70P C 0.6437(15) 0.5841(15) 0.6851(11) 0.041(7) Uani 0.56 1 d . . P B 2
C71P C -0.0494(12) 0.6346(10) 0.8766(7) 0.045(5) Uani 0.6 1 d . . P C 1
H71P H -0.062976 0.677460 0.883873 0.054 Uiso 0.6 1 calc R U P C 1
C72P C 0.0161(8) 0.6138(9) 0.8691(6) 0.035(3) Uani 0.6 1 d . . P C 1
H72P H 0.055618 0.639562 0.870657 0.042 Uiso 0.6 1 calc R U P C 1
C73P C 0.0135(12) 0.5491(10) 0.8680(8) 0.033(4) Uani 0.6 1 d . . P C 1
H73P H 0.051220 0.520971 0.866432 0.039 Uiso 0.6 1 calc R U P C 1
C74P C -0.0493(11) 0.5307(9) 0.8735(6) 0.028(4) Uani 0.6 1 d . . P C 1
C75P C -0.0896(12) 0.5794(9) 0.8780(8) 0.044(5) Uani 0.6 1 d . . P C 1
C76P C -0.0407(12) 0.6537(15) 0.8622(12) 0.044(7) Uani 0.4 1 d . . P C 2
H76P H -0.055011 0.697565 0.861861 0.053 Uiso 0.4 1 calc R U P C 2
C77P C -0.0817(12) 0.6002(13) 0.8746(10) 0.031(6) Uani 0.4 1 d . U P C 2
H77P H -0.127182 0.600379 0.884513 0.037 Uiso 0.4 1 calc R U P C 2
C78P C -0.042(2) 0.5507(19) 0.8681(17) 0.060(13) Uani 0.4 1 d . . P C 2
H78P H -0.056645 0.507449 0.873134 0.071 Uiso 0.4 1 calc R U P C 2
C79P C 0.0210(15) 0.5650(14) 0.8611(11) 0.026(6) Uani 0.4 1 d . U P C 2
H79P H 0.057725 0.535636 0.859980 0.031 Uiso 0.4 1 calc R U P C 2
C80P C 0.0237(11) 0.6333(12) 0.8545(10) 0.032(5) Uani 0.4 1 d . . P C 2
H80P H 0.062167 0.659234 0.848561 0.038 Uiso 0.4 1 calc R U P C 2
C82P C -0.1709(3) 0.4736(4) 0.7903(3) 0.0364(18) Uani 1 1 d . . . . .
H82P H -0.187240 0.503710 0.812440 0.040 Uiso 1 1 d . . . . .
C81P C -0.1443(6) 0.4152(7) 0.7927(6) 0.029(3) Uani 0.6 1 d . . P D 1
H81P H -0.138425 0.392586 0.820554 0.035 Uiso 0.6 1 calc R U P D 1
C83P C -0.1749(6) 0.4872(9) 0.7426(6) 0.028(3) Uani 0.6 1 d . U P D 1
H83P H -0.193349 0.524957 0.728929 0.033 Uiso 0.6 1 calc R U P D 1
C84P C -0.1506(5) 0.4337(6) 0.7203(4) 0.023(2) Uani 0.6 1 d . U P D 1
H84P H -0.150181 0.427442 0.688234 0.027 Uiso 0.6 1 calc R U P D 1
C85P C -0.1320(5) 0.3888(6) 0.7523(5) 0.025(2) Uani 0.6 1 d . . P D 1
H85P H -0.118548 0.345405 0.746633 0.030 Uiso 0.6 1 calc R U P D 1
C86P C -0.1489(14) 0.4142(14) 0.7366(11) 0.046(6) Uiso 0.4 1 d . . P D 2
H86P H -0.149916 0.396553 0.706749 0.055 Uiso 0.4 1 calc R U P D 2
C87P C -0.1773(18) 0.4696(15) 0.7471(12) 0.042(9) Uiso 0.4 1 d . . P D 2
H87P H -0.201832 0.497644 0.727616 0.051 Uiso 0.4 1 calc R U P D 2
C88P C -0.1410(18) 0.4142(16) 0.8081(11) 0.047(9) Uiso 0.4 1 d . . P D 2
H88P H -0.135400 0.401491 0.838951 0.056 Uiso 0.4 1 calc R U P D 2
C90P C -0.1298(15) 0.3811(15) 0.7718(11) 0.050(8) Uiso 0.4 1 d . . P D 2
H90P H -0.113458 0.337856 0.771061 0.060 Uiso 0.4 1 calc R U P D 2
N1 N 0.1370(3) 0.5138(3) 0.3470(2) 0.0265(11) Uani 1 1 d . . . . .
N2 N 0.1302(3) 0.5223(3) 0.65122(19) 0.0265(12) Uani 1 1 d . . . . .
C1L C 0.1931(4) 0.5125(3) 0.3669(3) 0.0333(16) Uani 1 1 d . . . . .
H1L H 0.230012 0.514004 0.349055 0.040 Uiso 1 1 calc R U . . .
C2L C 0.2035(4) 0.5093(3) 0.4108(3) 0.0369(18) Uani 1 1 d . . . . .
H2L H 0.245885 0.508749 0.421716 0.044 Uiso 0.5 1 calc R U P E 1
H2LA H 0.243939 0.505326 0.424412 0.044 Uiso 0.5 1 calc R U P F 2
C3L C 0.1552(7) 0.5070(6) 0.4374(4) 0.0213(6) Uiso 0.5 1 d . . P G 1
C4L C 0.0948(7) 0.5029(6) 0.4188(5) 0.0213(6) Uiso 0.5 1 d . . P G 1
H4L H 0.058999 0.494426 0.436730 0.026 Uiso 0.5 1 calc R U P G 1
C6L C 0.1597(6) 0.5077(6) 0.4831(4) 0.0213(6) Uiso 0.5 1 d D . P G 1
C7L C 0.1616(6) 0.5105(6) 0.5180(4) 0.0213(6) Uiso 0.5 1 d D . P G 1
C8L C 0.1423(7) 0.5121(6) 0.5628(4) 0.0213(6) Uiso 0.5 1 d . . P G 1
C9L C 0.1877(7) 0.5114(7) 0.5847(5) 0.0213(6) Uiso 0.5 1 d . . P G 1
H9L H 0.228624 0.509125 0.571557 0.026 Uiso 0.5 1 calc R U P G 1
C3LA C 0.1266(7) 0.5139(6) 0.4385(4) 0.0213(6) Uiso 0.5 1 d . . P G 2
C4LA C 0.0853(7) 0.5135(6) 0.4168(5) 0.0213(6) Uiso 0.5 1 d . . P G 2
H4LA H 0.044566 0.514671 0.430386 0.026 Uiso 0.5 1 calc R U P G 2
C6LA C 0.1148(6) 0.5124(6) 0.4808(4) 0.0213(6) Uiso 0.5 1 d D . P G 2
C7LA C 0.1118(6) 0.5157(6) 0.5132(4) 0.0213(6) Uiso 0.5 1 d D . P G 2
C8LA C 0.1158(7) 0.5183(6) 0.5596(4) 0.0213(6) Uiso 0.5 1 d . . P G 2
C9LA C 0.1732(6) 0.5108(7) 0.5790(5) 0.0213(6) Uiso 0.5 1 d . . P G 2
H9LA H 0.209272 0.503107 0.561208 0.026 Uiso 0.5 1 calc R U P G 2
C5L C 0.0848(4) 0.5114(4) 0.3724(3) 0.0351(17) Uani 1 1 d . . . . .
H5L H 0.043073 0.515124 0.360655 0.042 Uiso 0.5 1 calc R U P G 1
H5LA H 0.044471 0.508056 0.358564 0.042 Uiso 0.5 1 calc R U P G 2
C10L C 0.1835(4) 0.5138(4) 0.6279(3) 0.0338(16) Uani 1 1 d . . . . .
H10L H 0.222223 0.508974 0.643548 0.041 Uiso 0.5 1 calc R U P G 1
H10A H 0.224544 0.509964 0.640727 0.041 Uiso 0.5 1 calc R U P G 2
C11L C 0.0751(4) 0.5272(4) 0.6294(3) 0.0376(18) Uani 1 1 d . U . . .
H11L H 0.037516 0.532297 0.646299 0.045 Uiso 1 1 calc R U . . .
C12L C 0.0669(4) 0.5257(3) 0.5851(3) 0.0326(15) Uani 1 1 d . . . . .
H12L H 0.027943 0.531047 0.569797 0.039 Uiso 0.5 1 calc R U P G 1
H12A H 0.025316 0.530165 0.573192 0.039 Uiso 0.5 1 calc R U P G 2
Al1A Al 0.43639(18) 0.22293(18) 0.50063(19) 0.0159(7) Uani 0.75 1 d . . P H 1
O1A O 0.5138(3) 0.2239(3) 0.4861(2) 0.0252(13) Uani 0.75 1 d . . P H 1
O2A O 0.4006(3) 0.2923(3) 0.5139(3) 0.0240(13) Uani 0.75 1 d . . P H 1
Al1B Al 0.4246(6) 0.2165(6) 0.4994(7) 0.016(3) Uiso 0.25 1 d . . P H 2
O1B O 0.5122(10) 0.2238(9) 0.5166(8) 0.024(4) Uiso 0.25 1 d . . P H 2
O2B O 0.4000(10) 0.2907(9) 0.4858(8) 0.024(4) Uiso 0.25 1 d . . P H 2
C1 C 0.5754(3) 0.2240(3) 0.4993(3) 0.0294(12) Uani 1 1 d . . . . .
C11A C 0.6163(7) 0.2567(5) 0.4642(5) 0.037(3) Uani 0.7 1 d . . P H 1
F11A F 0.6782(3) 0.2457(4) 0.4673(3) 0.0401(17) Uani 0.7 1 d . . P H 1
F11B F 0.6079(4) 0.3188(3) 0.4668(3) 0.0396(17) Uani 0.7 1 d . . P H 1
F11C F 0.5981(3) 0.2415(3) 0.4243(2) 0.0279(13) Uani 0.7 1 d . . P H 1
C13A C 0.5837(6) 0.2581(5) 0.5418(4) 0.032(2) Uani 0.7 1 d . . P H 1
F13A F 0.5481(4) 0.3079(3) 0.5440(3) 0.0430(19) Uani 0.7 1 d . . P H 1
F13B F 0.5659(4) 0.2213(4) 0.5753(2) 0.0388(17) Uani 0.7 1 d . . P H 1
F13C F 0.6451(4) 0.2757(4) 0.5493(3) 0.0403(17) Uani 0.7 1 d . . P H 1
C11B C 0.585(3) 0.259(2) 0.4561(18) 0.069(13) Uiso 0.3 1 d . . P H 2
F11D F 0.5745(13) 0.2266(12) 0.4269(8) 0.054(7) Uiso 0.3 1 d . . P H 2
F11E F 0.6426(14) 0.2772(12) 0.4492(9) 0.065(6) Uiso 0.3 1 d . . P H 2
F11F F 0.5455(10) 0.3084(9) 0.4603(7) 0.047(4) Uiso 0.3 1 d . . P H 2
C13B C 0.613(2) 0.2625(15) 0.5375(11) 0.036(6) Uiso 0.3 1 d . . P H 2
F13D F 0.6758(12) 0.2462(11) 0.5351(8) 0.059(6) Uiso 0.3 1 d . . P H 2
F13E F 0.5945(13) 0.2452(11) 0.5763(9) 0.058(6) Uiso 0.3 1 d . . P H 2
F13F F 0.6080(12) 0.3222(11) 0.5357(8) 0.059(6) Uiso 0.3 1 d . . P H 2
C12 C 0.6005(3) 0.1570(3) 0.5027(3) 0.0322(13) Uani 1 1 d . . . . .
F12A F 0.6541(3) 0.1535(3) 0.5267(2) 0.0314(14) Uani 0.7 1 d . . P I 1
F12B F 0.6118(3) 0.1325(3) 0.4646(2) 0.0290(13) Uani 0.7 1 d . . P I 1
F12C F 0.5566(3) 0.1217(3) 0.5232(2) 0.0289(13) Uani 0.7 1 d . . P I 1
F12D F 0.5598(12) 0.1243(12) 0.4810(8) 0.065(6) Uiso 0.3 1 d . . P I 2
F12E F 0.6535(11) 0.1575(10) 0.4746(7) 0.054(5) Uiso 0.3 1 d . . P I 2
F12F F 0.6134(9) 0.1350(8) 0.5378(6) 0.038(4) Uiso 0.3 1 d . . P I 2
C2 C 0.3779(2) 0.3467(2) 0.5010(3) 0.0214(9) Uani 1 1 d D . . . .
C21 C 0.3321(4) 0.3413(4) 0.4632(3) 0.0242(17) Uani 0.7 1 d . . P H 1
F21A F 0.2910(3) 0.2931(3) 0.4698(2) 0.0269(12) Uani 0.7 1 d . . P H 1
F21B F 0.3648(4) 0.3320(3) 0.4260(2) 0.0329(14) Uani 0.7 1 d . . P H 1
F21C F 0.2960(3) 0.3920(3) 0.4568(2) 0.0329(14) Uani 0.7 1 d . . P H 1
C22 C 0.3416(4) 0.3779(4) 0.5395(3) 0.0255(18) Uani 0.7 1 d . . P H 1
F22A F 0.3353(3) 0.4388(3) 0.5341(2) 0.0302(14) Uani 0.7 1 d . . P H 1
F22B F 0.3739(3) 0.3690(3) 0.57644(19) 0.0253(12) Uani 0.7 1 d . . P H 1
F22C F 0.2843(3) 0.3516(4) 0.5441(3) 0.0401(18) Uani 0.7 1 d . . P H 1
C23 C 0.4355(5) 0.3884(5) 0.4893(5) 0.042(4) Uani 0.7 1 d . . P H 1
F23A F 0.4759(3) 0.3575(3) 0.4627(2) 0.0340(15) Uani 0.7 1 d . . P H 1
F23B F 0.4664(3) 0.4101(3) 0.5237(3) 0.0393(16) Uani 0.7 1 d . . P H 1
F23C F 0.4163(3) 0.4375(3) 0.4643(2) 0.0375(16) Uani 0.7 1 d . . P H 1
C24 C 0.2978(18) 0.3392(13) 0.5024(9) 0.067(9) Uiso 0.3 1 d D . P H 2
F24A F 0.2827(15) 0.3880(14) 0.5331(10) 0.083(8) Uiso 0.3 1 d D . P H 2
F24B F 0.2849(14) 0.3527(14) 0.4596(8) 0.073(7) Uiso 0.3 1 d D . P H 2
F24C F 0.2908(10) 0.2921(9) 0.5311(7) 0.049(5) Uiso 0.3 1 d D . P H 2
C25 C 0.4040(12) 0.3710(13) 0.5453(10) 0.049 Uiso 0.3 1 d D U P H 2
F25B F 0.4193(19) 0.4344(14) 0.5401(12) 0.108(11) Uiso 0.3 1 d D . P H 2
F25C F 0.3696(9) 0.3323(9) 0.5742(6) 0.042(4) Uiso 0.3 1 d D . P H 2
F25A F 0.4702(11) 0.3602(12) 0.5375(9) 0.067(6) Uiso 0.3 1 d D . P H 2
C26 C 0.3899(13) 0.3962(12) 0.4645(8) 0.072(11) Uiso 0.3 1 d D . P H 2
F26A F 0.3741(9) 0.3684(9) 0.4250(6) 0.039(4) Uiso 0.3 1 d D . P H 2
F26B F 0.4561(13) 0.4038(16) 0.4762(11) 0.082(9) Uiso 0.3 1 d D . P H 2
F26C F 0.3387(8) 0.4382(8) 0.4658(6) 0.039(4) Uiso 0.3 1 d D . P H 2
C3 C 0.3926(4) 0.1536(3) 0.5789(3) 0.0290(15) Uani 1 1 d . . . . .
O3A O 0.4283(3) 0.1747(3) 0.5458(2) 0.0290(15) Uani 0.75 1 d . . P H 2
C31 C 0.3232(8) 0.1497(7) 0.5658(5) 0.026(3) Uani 0.6 1 d . . P H 2
F31C F 0.3059(4) 0.2001(4) 0.5463(3) 0.040(2) Uani 0.6 1 d . . P H 2
F31B F 0.3116(6) 0.1035(5) 0.5374(4) 0.044(2) Uani 0.6 1 d . . P H 2
F31A F 0.2844(5) 0.1392(6) 0.5994(3) 0.049(2) Uani 0.6 1 d . . P H 2
C33B C 0.4170(7) 0.0870(6) 0.5889(5) 0.025(2) Uani 0.6 1 d . U P H 2
F33D F 0.4243(8) 0.0521(5) 0.5549(4) 0.050(3) Uani 0.6 1 d . . P H 2
F33E F 0.4773(6) 0.0911(4) 0.6064(3) 0.045(2) Uani 0.6 1 d . . P H 2
F33F F 0.3791(7) 0.0578(4) 0.6166(4) 0.070(4) Uani 0.6 1 d . . P H 2
O3B O 0.3929(12) 0.1895(10) 0.5417(7) 0.029(4) Uiso 0.25 1 d . . P H 1
C31A C 0.3208(13) 0.1284(16) 0.5790(14) 0.050(8) Uani 0.4 1 d . . P H 1
F31D F 0.3064(8) 0.1080(11) 0.6209(6) 0.069(5) Uani 0.4 1 d . . P H 1
F31E F 0.2805(8) 0.1711(14) 0.5696(7) 0.089(8) Uani 0.4 1 d . . P H 1
F31F F 0.3168(13) 0.0795(11) 0.5557(11) 0.090(9) Uani 0.4 1 d . . P H 1
C33A C 0.4382(11) 0.1014(12) 0.5802(11) 0.048(7) Uani 0.4 1 d . . P H 1
F33A F 0.4403(13) 0.0739(9) 0.5397(9) 0.075(7) Uani 0.4 1 d . . P H 1
F33B F 0.4970(9) 0.1198(10) 0.5881(7) 0.064(5) Uani 0.4 1 d . . P H 1
F33C F 0.4216(13) 0.0585(9) 0.6050(8) 0.081(6) Uani 0.4 1 d . U P H 1
C32 C 0.4010(4) 0.1943(4) 0.6181(3) 0.0337(17) Uani 1 1 d . . . . .
F32A F 0.4617(4) 0.2063(4) 0.6278(3) 0.039(2) Uani 0.6 1 d . . P J 1
F32B F 0.3736(5) 0.2492(3) 0.6128(3) 0.0338(18) Uani 0.6 1 d . . P J 1
F32C F 0.3773(5) 0.1688(4) 0.6546(3) 0.0391(19) Uani 0.6 1 d . . P J 1
F32D F 0.4135(10) 0.1629(9) 0.6539(6) 0.060(5) Uiso 0.4 1 d . . P J 2
F32E F 0.4509(10) 0.2291(9) 0.6130(7) 0.060(5) Uiso 0.4 1 d . . P J 2
F32F F 0.3553(9) 0.2329(8) 0.6236(6) 0.050(4) Uiso 0.4 1 d . . P J 2
C4 C 0.3909(4) 0.1543(3) 0.4227(3) 0.0301(15) Uani 1 1 d D . . . .
O4A O 0.3915(4) 0.1921(3) 0.4577(2) 0.0298(15) Uani 0.75 1 d . . P H 1
C41 C 0.4408(6) 0.1023(5) 0.4234(4) 0.034(2) Uani 0.75 1 d . . P H 1
F41A F 0.4983(3) 0.1229(3) 0.4131(2) 0.0341(13) Uani 0.75 1 d . . P H 1
F41B F 0.4445(4) 0.0809(3) 0.4636(2) 0.0380(15) Uani 0.75 1 d . . P H 1
F41C F 0.4259(3) 0.0568(3) 0.3962(2) 0.0347(13) Uani 0.75 1 d . . P H 1
C43 C 0.3215(6) 0.1280(5) 0.4192(4) 0.036(2) Uani 0.75 1 d . . P H 1
F43A F 0.3084(3) 0.1063(3) 0.3788(2) 0.0399(15) Uani 0.75 1 d . . P H 1
F43B F 0.3148(4) 0.0820(4) 0.4465(2) 0.0388(15) Uani 0.75 1 d . . P H 1
F43C F 0.2769(3) 0.1700(3) 0.4272(2) 0.0374(14) Uani 0.75 1 d . . P H 1
O4B O 0.4346(14) 0.1799(12) 0.4548(9) 0.040(5) Uiso 0.25 1 d . . P H 2
C41A C 0.414(3) 0.0877(15) 0.4112(19) 0.060 Uiso 0.25 1 d D U P H 2
F41D F 0.4777(19) 0.0862(17) 0.3973(13) 0.084(10) Uiso 0.25 1 d . . P H 2
F41E F 0.4280(14) 0.0571(13) 0.4490(10) 0.055(6) Uiso 0.25 1 d . . P H 2
F41F F 0.3906(18) 0.0577(16) 0.3799(12) 0.076(9) Uiso 0.25 1 d . . P H 2
C43A C 0.324(5) 0.144(4) 0.438(3) 0.10(3) Uiso 0.25 1 d . . P H 2
F43E F 0.2879(13) 0.1382(13) 0.3970(9) 0.056(6) Uiso 0.25 1 d . . P H 2
F43D F 0.3026(14) 0.2003(13) 0.4491(9) 0.055(6) Uiso 0.25 1 d . . P H 2
F43F F 0.3153(18) 0.1065(18) 0.4617(13) 0.072(10) Uiso 0.25 1 d . . P H 2
C42 C 0.4035(4) 0.1957(4) 0.3809(3) 0.0310(15) Uiso 1 1 d . . . . .
F42A F 0.4155(3) 0.1620(3) 0.34590(19) 0.0349(13) Uani 0.8 1 d . . P K 1
F42B F 0.3534(3) 0.2305(3) 0.3711(2) 0.0377(14) Uani 0.8 1 d . . P K 1
F42C F 0.4527(3) 0.2325(3) 0.3882(2) 0.0342(13) Uani 0.8 1 d . . P K 1
F42D F 0.373(2) 0.168(2) 0.3469(15) 0.086(13) Uiso 0.2 1 d . . P K 2
F42E F 0.4659(17) 0.2100(16) 0.3723(12) 0.050(7) Uiso 0.2 1 d . . P K 2
F42F F 0.3742(13) 0.2478(11) 0.3884(10) 0.034(5) Uiso 0.2 1 d . . P K 2
Al2 Al 0.46589(8) 0.75154(9) 0.50014(10) 0.0284(4) Uani 1 1 d . . . . .
O5 O 0.4058(2) 0.6979(2) 0.5046(3) 0.0402(13) Uani 1 1 d . . . . .
C5 C 0.3898(3) 0.6378(3) 0.5032(4) 0.0348(15) Uani 1 1 d D . . . .
C51 C 0.4390(5) 0.5983(5) 0.5305(4) 0.029(2) Uani 0.7 1 d . . P L 1
F51A F 0.4986(3) 0.6153(4) 0.5201(3) 0.045(2) Uani 0.7 1 d . . P L 1
F51B F 0.4304(5) 0.6097(5) 0.5734(3) 0.045(2) Uani 0.7 1 d . . P L 1
F51C F 0.4331(4) 0.5387(3) 0.5229(3) 0.0457(19) Uani 0.7 1 d . . P L 1
C52 C 0.3232(5) 0.6306(5) 0.5267(4) 0.033(2) Uani 0.7 1 d . . P L 1
F52A F 0.3091(4) 0.5733(3) 0.5361(2) 0.0395(16) Uani 0.7 1 d . . P L 1
F52B F 0.3166(4) 0.6663(4) 0.5612(2) 0.0413(17) Uani 0.7 1 d . . P L 1
F52C F 0.2778(3) 0.6480(3) 0.5010(4) 0.0324(16) Uani 0.7 1 d . . P L 1
C53 C 0.3863(5) 0.6143(4) 0.4581(3) 0.0235(18) Uani 0.7 1 d . . P L 1
F53A F 0.4447(4) 0.6024(4) 0.4423(3) 0.0389(18) Uani 0.7 1 d . . P L 1
F53B F 0.3603(4) 0.6562(3) 0.4322(2) 0.0356(15) Uani 0.7 1 d . . P L 1
F53C F 0.3525(3) 0.5624(3) 0.4542(2) 0.0321(14) Uani 0.7 1 d . . P L 1
C54 C 0.385(2) 0.615(2) 0.5434(15) 0.063(10) Uiso 0.3 1 d . . P L 2
F54A F 0.3500(12) 0.5621(10) 0.5469(8) 0.057(5) Uiso 0.3 1 d . . P L 2
F54B F 0.3567(13) 0.6558(10) 0.5673(7) 0.056(5) Uiso 0.3 1 d . . P L 2
F54C F 0.4455(14) 0.5981(13) 0.5582(11) 0.056(7) Uiso 0.3 1 d . . P L 2
C55 C 0.3232(12) 0.6288(12) 0.4775(9) 0.056 Uiso 0.3 1 d D U P L 2
F55A F 0.3143(13) 0.5675(10) 0.4637(8) 0.056 Uiso 0.3 1 d D U P L 2
F55B F 0.3269(13) 0.6545(11) 0.4368(7) 0.056 Uiso 0.3 1 d D U P L 2
F55C F 0.2741(16) 0.6616(14) 0.4970(14) 0.056 Uiso 0.3 1 d D U P L 2
C56 C 0.4330(14) 0.597(2) 0.4735(11) 0.083(15) Uiso 0.3 1 d D . P L 2
F56A F 0.4334(14) 0.5365(13) 0.4791(9) 0.083 Uiso 0.3 1 d D U P L 2
F56B F 0.4958(11) 0.6132(11) 0.4813(8) 0.066(6) Uiso 0.3 1 d D . P L 2
F56C F 0.4315(16) 0.6014(15) 0.4289(9) 0.066 Uiso 0.3 1 d D U P L 2
F61B F 0.5612(4) 0.7412(4) 0.6540(3) 0.081(2) Uani 1 1 d . . . . .
O6 O 0.5131(4) 0.7541(5) 0.5457(3) 0.048(3) Uani 0.7 1 d . . P M 1
C6 C 0.5298(5) 0.7802(5) 0.5855(4) 0.037(2) Uani 0.7 1 d . . P M 1
C61 C 0.5294(6) 0.7283(8) 0.6199(6) 0.062(5) Uani 0.7 1 d . . P M 1
F61A F 0.5579(4) 0.6761(5) 0.6003(3) 0.052(2) Uani 0.7 1 d . . P M 1
F61C F 0.4732(4) 0.7118(4) 0.6298(3) 0.0445(18) Uani 0.7 1 d . . P M 1
C62 C 0.5940(7) 0.8107(6) 0.5814(5) 0.040(3) Uani 0.7 1 d . . P M 1
F62A F 0.6424(3) 0.7673(4) 0.5787(3) 0.053(2) Uani 0.7 1 d . . P M 1
F62B F 0.6123(4) 0.8406(5) 0.6155(3) 0.048(2) Uani 0.7 1 d . . P M 1
F62C F 0.6009(5) 0.8480(4) 0.5482(3) 0.0477(19) Uani 0.7 1 d . . P M 1
F63A F 0.4845(4) 0.8398(5) 0.6431(3) 0.055(2) Uani 0.7 1 d . . P M 1
F63B F 0.4180(5) 0.8121(4) 0.5912(3) 0.050(2) Uani 0.7 1 d . . P M 1
F63C F 0.4898(3) 0.8831(3) 0.5810(3) 0.0455(17) Uani 0.7 1 d . . P M 1
C63 C 0.4819(5) 0.8271(5) 0.6010(3) 0.0275(18) Uiso 0.7 1 d . . P M 1
O9 O 0.5359(9) 0.7389(9) 0.5304(6) 0.032(4) Uiso 0.3 1 d D . P M 2
C9 C 0.5608(9) 0.7456(8) 0.5698(7) 0.019(4) Uiso 0.3 1 d D . P M 2
C91 C 0.6046(13) 0.6936(12) 0.5814(10) 0.037(6) Uiso 0.3 1 d D . P M 2
F91A F 0.6474(9) 0.7057(8) 0.6104(6) 0.043(4) Uiso 0.3 1 d . . P M 2
F91B F 0.6345(10) 0.6772(10) 0.5479(7) 0.056(5) Uiso 0.3 1 d . . P M 2
F91C F 0.5656(8) 0.6416(8) 0.5996(5) 0.029(3) Uiso 0.3 1 d . . P M 2
C92 C 0.5996(10) 0.8058(10) 0.5637(9) 0.035 Uiso 0.3 1 d D U P M 2
F92A F 0.6288(15) 0.8274(15) 0.5978(10) 0.067(8) Uiso 0.3 1 d D . P M 2
F92B F 0.6548(13) 0.7974(14) 0.5443(9) 0.080 Uiso 0.3 1 d D U P M 2
F92C F 0.5610(10) 0.8474(9) 0.5469(6) 0.042(4) Uiso 0.3 1 d D . P M 2
C93 C 0.5126(13) 0.7549(14) 0.6062(8) 0.061(9) Uiso 0.3 1 d D . P M 2
F93A F 0.511(3) 0.804(2) 0.6324(17) 0.17(2) Uiso 0.3 1 d D . P M 2
F93B F 0.4611(11) 0.7181(11) 0.5983(8) 0.063(5) Uiso 0.3 1 d D . P M 2
O7 O 0.4307(2) 0.8227(2) 0.4980(3) 0.0420(12) Uani 1 1 d . . . . .
C7 C 0.3801(4) 0.8566(4) 0.4829(4) 0.052(3) Uani 1 1 d D . . . .
F72B F 0.4243(3) 0.9043(3) 0.4201(3) 0.0645(17) Uani 1 1 d . . . . .
C71 C 0.3206(17) 0.8358(15) 0.4983(13) 0.18(2) Uiso 0.6 1 d D . P N 1
F71A F 0.3122(9) 0.7903(12) 0.4702(11) 0.164(14) Uani 0.6 1 d D . P N 1
F71C F 0.2656(9) 0.8674(11) 0.4907(6) 0.057(5) Uani 0.6 1 d D . P N 1
F71B F 0.3100(8) 0.7934(14) 0.5289(8) 0.130(11) Uani 0.6 1 d D . P N 1
C72 C 0.3797(5) 0.8626(5) 0.4341(4) 0.060(3) Uani 1 1 d D . . . .
F72A F 0.3967(4) 0.8087(4) 0.4143(3) 0.077(2) Uani 1 1 d . . . . .
F72C F 0.3236(3) 0.8810(5) 0.4164(4) 0.109(4) Uani 1 1 d . . . . .
C73 C 0.3817(4) 0.9235(4) 0.4990(5) 0.0241(18) Uani 0.6 1 d D . P N 1
F73A F 0.3645(4) 0.9216(3) 0.5426(3) 0.0358(17) Uani 0.6 1 d . . P N 1
F73B F 0.3455(4) 0.9632(4) 0.4811(4) 0.0402(18) Uani 0.6 1 d . . P N 1
F73C F 0.4410(4) 0.9448(5) 0.4993(5) 0.0233(15) Uani 0.6 1 d . . P N 1
C74 C 0.3146(5) 0.8250(5) 0.4946(4) 0.0096(19) Uani 0.4 1 d . U P N 2
F74B F 0.2972(6) 0.7805(6) 0.4688(4) 0.023(2) Uani 0.4 1 d . U P N 2
F74E F 0.3223(9) 0.8043(6) 0.5389(6) 0.049(6) Uani 0.4 1 d . . P N 2
F74D F 0.2732(15) 0.8643(16) 0.5116(14) 0.096(13) Uani 0.4 1 d . . P N 2
C76 C 0.3958(11) 0.9118(10) 0.5145(8) 0.062(8) Uani 0.4 1 d D U P N 2
F76A F 0.4568(9) 0.9336(10) 0.5039(11) 0.063(8) Uani 0.4 1 d D . P N 2
F76B F 0.3537(9) 0.9616(7) 0.5091(8) 0.101(10) Uani 0.4 1 d D . P N 2
F76C F 0.3964(14) 0.8994(15) 0.5611(8) 0.132(11) Uani 0.4 1 d D U P N 2
O8A O 0.5055(5) 0.7297(4) 0.4543(4) 0.036(3) Uani 0.56 1 d . . P M 1
C8 C 0.5590(7) 0.7401(6) 0.4302(7) 0.033(4) Uani 0.56 1 d . . P M 1
C81 C 0.5501(7) 0.6979(11) 0.3914(5) 0.050(5) Uani 0.56 1 d . . P M 1
F81A F 0.5615(5) 0.6395(4) 0.3982(4) 0.026(2) Uani 0.56 1 d . . P M 1
F81B F 0.5896(5) 0.7164(6) 0.3584(4) 0.054(3) Uani 0.56 1 d . . P M 1
F81C F 0.4902(10) 0.7064(10) 0.3778(7) 0.058(5) Uani 0.56 1 d . . P M 1
C82 C 0.6209(6) 0.7146(8) 0.4576(6) 0.043(4) Uani 0.56 1 d . . P M 1
F82A F 0.6685(4) 0.7018(5) 0.4273(4) 0.052(3) Uani 0.56 1 d . . P M 1
F82B F 0.6411(4) 0.7559(6) 0.4850(4) 0.059(3) Uani 0.56 1 d . . P M 1
F82C F 0.6083(4) 0.6609(4) 0.4770(4) 0.040(2) Uani 0.56 1 d . U P M 1
C83 C 0.5711(9) 0.8055(8) 0.4202(6) 0.042(4) Uiso 0.56 1 d . . P M 1
F83A F 0.5710(17) 0.8445(11) 0.4524(10) 0.137(13) Uani 0.56 1 d . . P M 1
F83B F 0.6301(5) 0.8196(5) 0.4056(4) 0.037(2) Uani 0.56 1 d . U P M 1
F83C F 0.5274(5) 0.8245(5) 0.3890(3) 0.045(2) Uani 0.56 1 d . . P M 1
O8B O 0.5098(13) 0.7510(12) 0.4534(9) 0.075(8) Uiso 0.44 1 d . . P M 2
C8B C 0.552(3) 0.745(2) 0.419(3) 0.15(3) Uiso 0.44 1 d D . P M 2
C85 C 0.5262(18) 0.7568(17) 0.3672(12) 0.077(9) Uiso 0.44 1 d . . P M 2
F85A F 0.4758(10) 0.7150(14) 0.3655(7) 0.051(5) Uani 0.44 1 d . . P M 2
F85B F 0.4915(13) 0.8127(12) 0.3715(16) 0.18(2) Uani 0.44 1 d . . P M 2
F85C F 0.5645(6) 0.7450(8) 0.3426(5) 0.068(5) Uani 0.44 1 d . . P M 2
C86 C 0.5987(17) 0.8001(15) 0.4287(11) 0.061(7) Uiso 0.44 1 d . . P M 2
F86A F 0.5603(5) 0.8406(7) 0.4551(7) 0.032(4) Uani 0.44 1 d . . P M 2
F86B F 0.6392(14) 0.7871(10) 0.4578(9) 0.107(8) Uani 0.44 1 d . . P M 2
F86D F 0.6159(11) 0.8290(13) 0.3865(8) 0.092(9) Uani 0.44 1 d . . P M 2
C87 C 0.5961(9) 0.6858(9) 0.4191(7) 0.037(4) Uani 0.44 1 d D . P M 2
F87A F 0.6069(8) 0.6623(8) 0.4546(6) 0.059(4) Uiso 0.44 1 d . . P M 2
F87B F 0.6490(7) 0.6937(6) 0.3949(5) 0.052(3) Uani 0.44 1 d . . P M 2
F87C F 0.558(2) 0.641(2) 0.3999(15) 0.132(14) Uani 0.44 1 d . U P M 2
C1S C 0.2602(5) 0.8977(5) 0.6174(4) 0.026(2) Uani 0.65 1 d . . P O 1
H1SA H 0.281227 0.874866 0.593708 0.031 Uiso 0.65 1 calc R U P O 1
H1SB H 0.234930 0.867952 0.634579 0.031 Uiso 0.65 1 calc R U P O 1
Cl11 Cl 0.20903(14) 0.95223(14) 0.59546(10) 0.0326(6) Uani 0.65 1 d . . P O 1
Cl12 Cl 0.31925(14) 0.93070(14) 0.65081(10) 0.0317(6) Uani 0.65 1 d . . P O 1
C2S C 0.1075(14) 1.0199(14) 0.4932(13) 0.017(6) Uiso 0.2 1 d . . P P 2
H2S1 H 0.214670 1.001000 0.513670 0.021 Uiso 0.2 1 d . U P Q 2
H2S2 H 0.168920 0.943700 0.515430 0.021 Uiso 0.2 1 d . U P R 2
Cl21 Cl 0.1220(9) 1.0352(10) 0.5046(6) 0.056(5) Uiso 0.2 1 d . . P P 2
Cl22 Cl 0.1896(9) 0.9778(9) 0.5829(6) 0.067(4) Uiso 0.2 1 d . . P S 2
C3S C 0.2604(18) 0.8900(17) 0.3769(12) 0.051(8) Uiso 0.3 1 d . . P T -1
Cl32 Cl 0.3225(4) 0.9293(4) 0.3495(3) 0.0475(18) Uani 0.3 1 d . . P T -1
Cl31 Cl 0.2049(6) 0.9587(8) 0.4096(4) 0.077(5) Uani 0.3 1 d . . P T -1
C4S C 0.1779(9) 0.9838(9) 0.4762(7) 0.019(3) Uiso 0.3 1 d . . P T 1
H4S1 H 0.160001 0.945305 0.488235 0.023 Uiso 0.3 1 calc R U P T 1
H4S2 H 0.220607 0.990255 0.489277 0.023 Uiso 0.3 1 calc R U P T 1
Cl41 Cl 0.1857(3) 0.9767(4) 0.4215(2) 0.0266(14) Uani 0.3 1 d . . P T 1
Cl42 Cl 0.1293(5) 1.0440(5) 0.4896(4) 0.053(3) Uani 0.3 1 d . . P T 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.329(6) 2_565 ?
Ag1 P5 2.4614(19) . ?
Ag1 P4 2.5175(17) . ?
Ag1 P1 2.5274(17) . ?
Ag2 N2 2.334(6) . ?
Ag2 P7 2.4675(19) . ?
Ag2 P2 2.5041(17) . ?
Ag2 P3 2.5317(17) . ?
Mo1 C11C 1.983(7) . ?
Mo1 C12C 1.994(7) . ?
Mo1 C12P 2.292(8) . ?
Mo1 C13P 2.313(8) . ?
Mo1 C11P 2.330(7) . ?
Mo1 C14P 2.346(7) . ?
Mo1 C15P 2.377(7) . ?
Mo1 P2 2.4501(18) . ?
Mo1 P1 2.5266(19) . ?
Mo1 Mo2 3.0374(9) . ?
Mo2 C22C 1.977(7) . ?
Mo2 C21C 1.995(7) . ?
Mo2 C25P 2.287(7) . ?
Mo2 C24P 2.315(8) . ?
Mo2 C21P 2.324(6) . ?
Mo2 C23P 2.357(7) . ?
Mo2 C22P 2.359(7) . ?
Mo2 P1 2.4446(17) . ?
Mo2 P2 2.5351(18) . ?
Mo3 C31C 2.002(7) . ?
Mo3 C32C 2.006(7) . ?
Mo3 C31P 2.283(8) . ?
Mo3 C35P 2.300(8) . ?
Mo3 C34P 2.329(8) . ?
Mo3 C32P 2.345(7) . ?
Mo3 C33P 2.365(7) . ?
Mo3 P4 2.4534(18) . ?
Mo3 P3 2.5259(19) . ?
Mo3 Mo4 3.0319(9) . ?
Mo4 C41C 1.987(7) . ?
Mo4 C42C 2.004(7) . ?
Mo4 C43P 2.305(7) . ?
Mo4 C44P 2.311(8) . ?
Mo4 C45P 2.329(7) . ?
Mo4 C42P 2.338(7) . ?
Mo4 C41P 2.365(7) . ?
Mo4 P3 2.4492(17) . ?
Mo4 P4 2.5388(18) . ?
Mo5 C52C 1.81(4) . ?
Mo5 C53C 1.991(8) . ?
Mo5 C51C 2.077(15) . ?
Mo5 C55P 2.278(9) . ?
Mo5 C51P 2.288(10) . ?
Mo5 C54P 2.307(9) . ?
Mo5 C53P 2.348(9) . ?
Mo5 C52P 2.357(10) . ?
Mo5 P5 2.4213(19) . ?
Mo5 P6 2.561(3) . ?
Mo5 Mo6 3.0071(9) . ?
Mo6 C62C 1.911(19) . ?
Mo6 C61C 1.991(8) . ?
Mo6 C63C 2.07(2) . ?
Mo6 C65P 2.22(3) . ?
Mo6 C61P 2.29(4) . ?
Mo6 C62P 2.29(5) . ?
Mo6 C64P 2.32(3) . ?
Mo6 C67P 2.330(18) . ?
Mo6 C69P 2.34(2) . ?
Mo6 C68P 2.35(2) . ?
Mo6 C63P 2.36(3) . ?
Mo6 C66P 2.40(4) . ?
Mo7 C73C 1.92(2) . ?
Mo7 C71C 1.971(8) . ?
Mo7 C78P 2.10(5) . ?
Mo7 C72C 2.16(4) . ?
Mo7 C76P 2.20(3) . ?
Mo7 C79P 2.24(3) . ?
Mo7 C80P 2.24(3) . ?
Mo7 C77P 2.27(3) . ?
Mo7 C72P 2.358(18) . ?
Mo7 C71P 2.37(2) . ?
Mo7 P7 2.4278(19) . ?
Mo7 C73P 2.43(3) . ?
Mo8 C82C 1.979(9) . ?
Mo8 C81C 1.980(8) . ?
Mo8 C81P 2.249(14) . ?
Mo8 C86P 2.26(3) . ?
Mo8 C85P 2.273(10) . ?
Mo8 C84P 2.326(9) . ?
Mo8 C87P 2.37(4) . ?
Mo8 C82P 2.364(7) . ?
Mo8 C83P 2.375(13) . ?
Mo8 C90P 2.38(3) . ?
Mo8 C88P 2.46(4) . ?
Mo8 P8 2.473(3) . ?
P1 P2 2.086(2) . ?
P3 P4 2.087(2) . ?
P5 P6 2.092(3) . ?
P7 P8 2.087(3) . ?
C11C O11C 1.164(9) . ?
C12C O12C 1.146(9) . ?
C21C O21C 1.141(9) . ?
C22C O22C 1.158(9) . ?
C31C O31C 1.125(9) . ?
C32C O32C 1.121(9) . ?
C41C O41C 1.131(9) . ?
C42C O42C 1.136(9) . ?
C51C O51C 1.106(17) . ?
C52C O52C 1.22(4) . ?
C53C O53C 1.148(9) . ?
C61C O61C 1.132(10) . ?
C62C O62C 1.18(3) . ?
C63C O63C 1.12(4) . ?
C71C O71C 1.161(9) . ?
C73C O73C 1.15(2) . ?
C72C O72C 1.17(4) . ?
C81C O81C 1.156(10) . ?
C82C O82C 1.147(11) . ?
C11P C15P 1.415(10) . ?
C11P C12P 1.423(12) . ?
C11P H11P 1.0000 . ?
C12P C13P 1.446(11) . ?
C12P H12P 1.0000 . ?
C13P C14P 1.435(11) . ?
C13P H13P 1.0000 . ?
C14P C15P 1.428(11) . ?
C14P H14P 1.0000 . ?
C15P H15P 1.0000 . ?
C21P C25P 1.403(11) . ?
C21P C22P 1.416(11) . ?
C21P H21P 1.0000 . ?
C22P C23P 1.421(11) . ?
C22P H22P 1.0000 . ?
C23P C24P 1.419(12) . ?
C23P H23P 1.0000 . ?
C24P C25P 1.440(10) . ?
C24P H24P 1.0000 . ?
C25P H25P 1.0000 . ?
C31P C35P 1.394(13) . ?
C31P C32P 1.416(12) . ?
C31P H31P 1.0000 . ?
C32P C33P 1.416(11) . ?
C32P H32P 1.0000 . ?
C33P C34P 1.423(11) . ?
C33P H33P 1.0000 . ?
C34P C35P 1.414(11) . ?
C34P H34P 1.0000 . ?
C35P H35P 1.0000 . ?
C41P C45P 1.414(9) . ?
C41P C42P 1.424(10) . ?
C41P H41P 1.0000 . ?
C42P C43P 1.386(11) . ?
C42P H42P 1.0000 . ?
C43P C44P 1.424(10) . ?
C43P H43P 1.0000 . ?
C44P C45P 1.434(11) . ?
C44P H44P 1.0000 . ?
C45P H45P 1.0000 . ?
C51P C55P 1.37(2) . ?
C51P C52P 1.439(15) . ?
C51P H51P 1.0000 . ?
C52P C53P 1.443(15) . ?
C52P H52P 1.0000 . ?
C53P C54P 1.387(16) . ?
C53P H53P 1.0000 . ?
C54P C55P 1.411(16) . ?
C54P H54P 1.0000 . ?
C55P H55P 1.0000 . ?
C61P C65P 1.44(4) . ?
C61P C62P 1.57(6) . ?
C61P H61A 1.0000 . ?
C62P C63P 1.38(7) . ?
C62P H62A 1.0000 . ?
C63P C64P 1.52(4) . ?
C63P H63A 1.0000 . ?
C64P C65P 1.49(4) . ?
C64P H64A 1.0000 . ?
C65P H65A 1.0000 . ?
C66P C70P 1.33(5) . ?
C66P C67P 1.39(5) . ?
C66P H66A 1.0000 . ?
C67P C69P 1.39(3) . ?
C67P H67A 1.0000 . ?
C68P C70P 1.43(3) . ?
C68P C69P 1.44(3) . ?
C68P H68A 1.0000 . ?
C69P H69A 1.0000 . ?
C71P C72P 1.46(3) . ?
C71P C75P 1.47(3) . ?
C71P H71P 1.0000 . ?
C72P C73P 1.41(3) . ?
C72P H72P 1.0000 . ?
C73P C74P 1.38(3) . ?
C73P H73P 1.0000 . ?
C74P C75P 1.36(3) . ?
C76P C80P 1.44(3) . ?
C76P C77P 1.50(4) . ?
C76P H76P 1.0000 . ?
C77P C78P 1.37(5) . ?
C77P H77P 1.0000 . ?
C78P C79P 1.37(5) . ?
C78P H78P 1.0000 . ?
C79P C80P 1.50(4) . ?
C79P H79P 1.0000 . ?
C80P H80P 1.0000 . ?
C82P C87P 1.35(4) . ?
C82P C81P 1.387(18) . ?
C82P C83P 1.51(2) . ?
C82P C88P 1.54(4) . ?
C82P H82P 1.0074 . ?
C81P C85P 1.40(2) . ?
C81P H81P 1.0000 . ?
C83P C84P 1.445(19) . ?
C83P H83P 1.0000 . ?
C84P C85P 1.443(19) . ?
C84P H84P 1.0000 . ?
C85P H85P 1.0000 . ?
C86P C87P 1.38(4) . ?
C86P C90P 1.36(4) . ?
C86P H86P 1.0000 . ?
C87P H87P 1.0000 . ?
C88P C90P 1.36(4) . ?
C88P H88P 1.0000 . ?
C90P H90P 1.0000 . ?
N1 C1L 1.327(10) . ?
N1 C5L 1.348(10) . ?
N2 C10L 1.341(10) . ?
N2 C11L 1.341(10) . ?
C1L C2L 1.376(12) . ?
C1L H1L 0.9500 . ?
C2L C3L 1.306(16) . ?
C2L C3LA 1.826(17) . ?
C2L H2L 0.9500 . ?
C2L H2LA 0.9500 . ?
C3L C4L 1.392(19) . ?
C3L C6L 1.417(18) . ?
C4L C5L 1.461(17) . ?
C4L H4L 0.9500 . ?
C6L C7L 1.080(11) . ?
C7L C8L 1.446(18) . ?
C8L C9L 1.165(19) . ?
C8L C12L 1.748(16) . ?
C9L C10L 1.340(18) . ?
C9L H9L 0.9500 . ?
C3LA C4LA 1.10(2) . ?
C3LA C6LA 1.331(18) . ?
C4LA C5L 1.374(19) . ?
C4LA H4LA 0.9500 . ?
C6LA C7LA 1.008(11) . ?
C7LA C8LA 1.438(17) . ?
C8LA C12L 1.304(16) . ?
C8LA C9LA 1.352(18) . ?
C9LA C10L 1.528(17) . ?
C9LA H9LA 0.9500 . ?
C5L H5L 0.9500 . ?
C5L H5LA 0.9500 . ?
C10L H10L 0.9500 . ?
C10L H10A 0.9500 . ?
C11L C12L 1.381(11) . ?
C11L H11L 0.9500 . ?
C12L H12L 0.9500 . ?
C12L H12A 0.9500 . ?
Al1A O1A 1.682(8) . ?
Al1A O3B 1.72(2) . ?
Al1A O2A 1.733(7) . ?
Al1A O4A 1.760(9) . ?
O1A C1 1.352(9) . ?
O2A C2 1.336(8) . ?
Al1B O4B 1.61(3) . ?
Al1B O3A 1.70(2) . ?
Al1B O2B 1.75(3) . ?
Al1B O1B 1.92(2) . ?
O1B C1 1.43(2) . ?
O2B C2 1.38(2) . ?
C1 C13A 1.520(15) . ?
C1 C12 1.552(9) . ?
C1 C11B 1.55(6) . ?
C1 C11A 1.555(16) . ?
C1 C13B 1.65(4) . ?
C11A F11A 1.321(15) . ?
C11A F11C 1.332(17) . ?
C11A F11B 1.364(13) . ?
C13A F13A 1.316(12) . ?
C13A F13B 1.361(17) . ?
C13A F13C 1.360(14) . ?
C11B F11D 1.17(6) . ?
C11B F11E 1.29(6) . ?
C11B F11F 1.35(6) . ?
C13B F13F 1.30(4) . ?
C13B F13E 1.32(4) . ?
C13B F13D 1.35(5) . ?
C12 F12F 1.22(2) . ?
C12 F12D 1.30(3) . ?
C12 F12B 1.315(11) . ?
C12 F12A 1.349(9) . ?
C12 F12C 1.356(10) . ?
C12 F12E 1.41(2) . ?
C2 C21 1.515(12) . ?
C2 C23 1.551(12) . ?
C2 C22 1.568(11) . ?
C2 C25 1.57(3) . ?
C2 C26 1.58(2) . ?
C2 C24 1.68(4) . ?
C21 F21C 1.351(9) . ?
C21 F21B 1.354(11) . ?
C21 F21A 1.371(12) . ?
C22 F22C 1.337(12) . ?
C22 F22A 1.340(11) . ?
C22 F22B 1.342(12) . ?
C23 F23B 1.332(16) . ?
C23 F23A 1.356(13) . ?
C23 F23C 1.378(12) . ?
C24 F24C 1.36(2) . ?
C24 F24B 1.38(2) . ?
C24 F24A 1.46(3) . ?
C25 F25C 1.42(2) . ?
C25 F25A 1.43(2) . ?
C25 F25B 1.43(2) . ?
C26 F26A 1.40(2) . ?
C26 F26C 1.41(2) . ?
C26 F26B 1.44(2) . ?
C3 O3A 1.347(10) . ?
C3 O3B 1.39(2) . ?
C3 C33A 1.48(3) . ?
C3 C32 1.512(11) . ?
C3 C31 1.511(19) . ?
C3 C31A 1.60(3) . ?
C3 C33B 1.567(15) . ?
C31 F31C 1.301(17) . ?
C31 F31A 1.339(15) . ?
C31 F31B 1.36(2) . ?
C33B F33D 1.306(18) . ?
C33B F33F 1.329(18) . ?
C33B F33E 1.374(19) . ?
C31A F31F 1.29(4) . ?
C31A F31E 1.29(4) . ?
C31A F31D 1.40(5) . ?
C33A F33B 1.32(3) . ?
C33A F33C 1.26(4) . ?
C33A F33A 1.39(4) . ?
C32 F32F 1.285(19) . ?
C32 F32E 1.30(2) . ?
C32 F32D 1.32(2) . ?
C32 F32A 1.332(13) . ?
C32 F32B 1.335(10) . ?
C32 F32C 1.350(11) . ?
C4 O4A 1.358(10) . ?
C4 C43A 1.49(10) . ?
C4 O4B 1.46(3) . ?
C4 C41 1.540(12) . ?
C4 C41A 1.57(3) . ?
C4 C43 1.563(15) . ?
C4 C42 1.598(12) . ?
C41 F41B 1.329(13) . ?
C41 F41A 1.323(15) . ?
C41 F41C 1.336(13) . ?
C43 F43B 1.317(14) . ?
C43 F43C 1.329(13) . ?
C43 F43A 1.363(14) . ?
C41A F41F 1.27(6) . ?
C41A F41E 1.38(6) . ?
C41A F41D 1.40(6) . ?
C43A F43F 1.11(9) . ?
C43A F43D 1.35(9) . ?
C43A F43E 1.50(9) . ?
C42 F42F 1.31(3) . ?
C42 F42B 1.330(10) . ?
C42 F42C 1.324(10) . ?
C42 F42A 1.331(10) . ?
C42 F42D 1.37(5) . ?
C42 F42E 1.37(4) . ?
Al2 O8A 1.709(10) . ?
Al2 O8B 1.71(3) . ?
Al2 O7 1.715(6) . ?
Al2 O5 1.720(5) . ?
Al2 O6 1.722(9) . ?
Al2 O9 1.760(19) . ?
O5 C5 1.349(8) . ?
C5 C54 1.34(5) . ?
C5 C53 1.486(14) . ?
C5 C56 1.56(3) . ?
C5 C52 1.581(12) . ?
C5 C51 1.585(13) . ?
C5 C55 1.62(2) . ?
C51 F51C 1.323(12) . ?
C51 F51A 1.338(12) . ?
C51 F51B 1.364(15) . ?
C52 F52C 1.294(16) . ?
C52 F52A 1.313(12) . ?
C52 F52B 1.326(13) . ?
C53 F53B 1.329(11) . ?
C53 F53C 1.335(11) . ?
C53 F53A 1.343(13) . ?
C54 F54B 1.30(5) . ?
C54 F54A 1.38(5) . ?
C54 F54C 1.39(6) . ?
C55 F55B 1.38(2) . ?
C55 F55C 1.39(2) . ?
C55 F55A 1.41(2) . ?
C56 F56A 1.32(5) . ?
C56 F56B 1.38(3) . ?
C56 F56C 1.38(3) . ?
F61B C61 1.279(18) . ?
F61B C93 1.82(3) . ?
O6 C6 1.400(15) . ?
C6 C62 1.503(17) . ?
C6 C63 1.509(16) . ?
C6 C61 1.552(18) . ?
C61 F61C 1.267(16) . ?
C61 F61A 1.42(2) . ?
C62 F62B 1.296(17) . ?
C62 F62C 1.317(16) . ?
C62 F62A 1.388(15) . ?
F63A C63 1.333(14) . ?
F63B C63 1.411(14) . ?
F63C C63 1.375(12) . ?
O9 C9 1.33(3) . ?
C9 C91 1.50(3) . ?
C9 C93 1.52(2) . ?
C9 C92 1.55(2) . ?
C91 F91B 1.26(4) . ?
C91 F91A 1.29(4) . ?
C91 F91C 1.50(3) . ?
C92 F92A 1.31(2) . ?
C92 F92B 1.32(2) . ?
C92 F92C 1.32(2) . ?
C93 F93A 1.34(3) . ?
C93 F93B 1.36(2) . ?
O7 C7 1.372(11) . ?
C7 C71 1.41(4) . ?
C7 C72 1.515(15) . ?
C7 C73 1.538(12) . ?
C7 C74 1.577(14) . ?
C7 C76 1.58(2) . ?
F72B C72 1.373(13) . ?
C71 F71A 1.33(3) . ?
C71 F71B 1.34(3) . ?
C71 F71C 1.36(3) . ?
C72 F72C 1.356(13) . ?
C72 F72A 1.368(14) . ?
F72C C3S 1.81(4) . ?
C73 F73B 1.276(14) . ?
C73 F73C 1.324(13) . ?
C73 F73A 1.396(17) . ?
C74 F74B 1.307(16) . ?
C74 F74D 1.33(3) . ?
C74 F74E 1.45(2) . ?
C76 F76A 1.40(2) . ?
C76 F76B 1.41(2) . ?
C76 F76C 1.47(2) . ?
O8A C8 1.365(15) . ?
C8 C83 1.48(2) . ?
C8 C81 1.52(3) . ?
C8 C82 1.65(3) . ?
C81 F81A 1.31(3) . ?
C81 F81C 1.34(3) . ?
C81 F81B 1.373(18) . ?
C82 F82B 1.305(19) . ?
C82 F82C 1.34(2) . ?
C82 F82A 1.395(18) . ?
C83 F83A 1.31(3) . ?
C83 F83B 1.35(2) . ?
C83 F83C 1.39(2) . ?
O8B C8B 1.38(8) . ?
C8B C86 1.58(8) . ?
C8B C87 1.58(3) . ?
C8B C85 1.72(9) . ?
C85 F85C 1.14(4) . ?
C85 F85B 1.42(4) . ?
C85 F85A 1.39(5) . ?
C86 F86B 1.27(4) . ?
C86 F86A 1.45(4) . ?
C86 F86D 1.49(4) . ?
C87 F87A 1.23(3) . ?
C87 F87B 1.35(2) . ?
C87 F87C 1.39(5) . ?
C1S Cl11 1.736(11) . ?
C1S Cl12 1.763(11) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S Cl21 0.57(3) . ?
C3S Cl32 1.77(4) . ?
C3S Cl31 2.14(4) . ?
Cl31 Cl41 0.672(18) . ?
Cl31 C4S 2.21(2) . ?
C4S Cl42 1.71(2) . ?
C4S Cl41 1.71(2) . ?
C4S H4S1 0.9900 . ?
C4S H4S2 0.9900 . ?

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 Ag1 P5 112.35(17) 2_565 . ?
N1 Ag1 P4 100.26(15) 2_565 . ?
P5 Ag1 P4 120.12(6) . . ?
N1 Ag1 P1 97.19(16) 2_565 . ?
P5 Ag1 P1 114.70(6) . . ?
P4 Ag1 P1 108.90(6) . . ?
N2 Ag2 P7 110.09(16) . . ?
N2 Ag2 P2 102.41(15) . . ?
P7 Ag2 P2 118.54(6) . . ?
N2 Ag2 P3 98.90(17) . . ?
P7 Ag2 P3 114.87(6) . . ?
P2 Ag2 P3 109.47(6) . . ?
C11C Mo1 C12C 89.3(3) . . ?
C11C Mo1 C12P 94.1(3) . . ?
C12C Mo1 C12P 86.8(3) . . ?
C11C Mo1 C13P 130.0(3) . . ?
C12C Mo1 C13P 82.0(3) . . ?
C12P Mo1 C13P 36.6(3) . . ?
C11C Mo1 C11P 83.9(3) . . ?
C12C Mo1 C11P 120.9(3) . . ?
C12P Mo1 C11P 35.8(3) . . ?
C13P Mo1 C11P 60.3(3) . . ?
C11C Mo1 C14P 142.3(3) . . ?
C12C Mo1 C14P 113.2(3) . . ?
C12P Mo1 C14P 59.3(3) . . ?
C13P Mo1 C14P 35.9(3) . . ?
C11P Mo1 C14P 58.8(3) . . ?
C11C Mo1 C15P 109.5(3) . . ?
C12C Mo1 C15P 141.2(3) . . ?
C12P Mo1 C15P 59.0(3) . . ?
C13P Mo1 C15P 59.8(3) . . ?
C11P Mo1 C15P 35.0(2) . . ?
C14P Mo1 C15P 35.2(3) . . ?
C11C Mo1 P2 123.2(2) . . ?
C12C Mo1 P2 87.7(2) . . ?
C12P Mo1 P2 142.1(2) . . ?
C13P Mo1 P2 105.55(19) . . ?
C11P Mo1 P2 142.55(18) . . ?
C14P Mo1 P2 89.05(18) . . ?
C15P Mo1 P2 107.58(18) . . ?
C11C Mo1 P1 74.3(2) . . ?
C12C Mo1 P1 79.0(2) . . ?
C12P Mo1 P1 161.6(2) . . ?
C13P Mo1 P1 148.9(2) . . ?
C11P Mo1 P1 150.6(2) . . ?
C14P Mo1 P1 137.45(18) . . ?
C15P Mo1 P1 137.94(19) . . ?
P2 Mo1 P1 49.54(6) . . ?
C11C Mo1 Mo2 87.2(2) . . ?
C12C Mo1 Mo2 128.9(2) . . ?
C12P Mo1 Mo2 144.3(2) . . ?
C13P Mo1 Mo2 135.0(2) . . ?
C11P Mo1 Mo2 109.4(2) . . ?
C14P Mo1 Mo2 99.6(2) . . ?
C15P Mo1 Mo2 86.85(19) . . ?
P2 Mo1 Mo2 53.75(4) . . ?
P1 Mo1 Mo2 51.13(4) . . ?
C22C Mo2 C21C 87.2(3) . . ?
C22C Mo2 C25P 86.9(3) . . ?
C21C Mo2 C25P 97.2(3) . . ?
C22C Mo2 C24P 85.3(3) . . ?
C21C Mo2 C24P 133.3(3) . . ?
C25P Mo2 C24P 36.5(3) . . ?
C22C Mo2 C21P 119.6(3) . . ?
C21C Mo2 C21P 85.3(3) . . ?
C25P Mo2 C21P 35.4(3) . . ?
C24P Mo2 C21P 59.6(3) . . ?
C22C Mo2 C23P 116.7(3) . . ?
C21C Mo2 C23P 143.0(3) . . ?
C25P Mo2 C23P 59.3(3) . . ?
C24P Mo2 C23P 35.3(3) . . ?
C21P Mo2 C23P 58.7(3) . . ?
C22C Mo2 C22P 142.9(3) . . ?
C21C Mo2 C22P 109.4(3) . . ?
C25P Mo2 C22P 58.9(3) . . ?
C24P Mo2 C22P 59.0(3) . . ?
C21P Mo2 C22P 35.2(3) . . ?
C23P Mo2 C22P 35.1(3) . . ?
C22C Mo2 P1 91.3(2) . . ?
C21C Mo2 P1 123.0(2) . . ?
C25P Mo2 P1 139.67(19) . . ?
C24P Mo2 P1 103.23(19) . . ?
C21P Mo2 P1 140.39(19) . . ?
C23P Mo2 P1 86.32(18) . . ?
C22P Mo2 P1 105.3(2) . . ?
C22C Mo2 P2 77.8(2) . . ?
C21C Mo2 P2 74.8(2) . . ?
C25P Mo2 P2 162.9(2) . . ?
C24P Mo2 P2 146.7(2) . . ?
C21P Mo2 P2 153.2(2) . . ?
C23P Mo2 P2 134.98(18) . . ?
C22P Mo2 P2 137.7(2) . . ?
P1 Mo2 P2 49.50(6) . . ?
C22C Mo2 Mo1 128.7(2) . . ?
C21C Mo2 Mo1 84.8(2) . . ?
C25P Mo2 Mo1 144.3(2) . . ?
C24P Mo2 Mo1 133.6(2) . . ?
C21P Mo2 Mo1 110.1(2) . . ?
C23P Mo2 Mo1 98.8(2) . . ?
C22P Mo2 Mo1 86.7(2) . . ?
P1 Mo2 Mo1 53.57(5) . . ?
P2 Mo2 Mo1 51.20(4) . . ?
C31C Mo3 C32C 88.3(3) . . ?
C31C Mo3 C31P 84.0(3) . . ?
C32C Mo3 C31P 129.0(3) . . ?
C31C Mo3 C35P 86.8(3) . . ?
C32C Mo3 C35P 94.0(3) . . ?
C31P Mo3 C35P 35.4(3) . . ?
C31C Mo3 C34P 120.3(3) . . ?
C32C Mo3 C34P 83.5(3) . . ?
C31P Mo3 C34P 58.5(3) . . ?
C35P Mo3 C34P 35.6(3) . . ?
C31C Mo3 C32P 114.4(3) . . ?
C32C Mo3 C32P 142.0(3) . . ?
C31P Mo3 C32P 35.6(3) . . ?
C35P Mo3 C32P 59.5(3) . . ?
C34P Mo3 C32P 58.9(3) . . ?
C31C Mo3 C33P 141.7(3) . . ?
C32C Mo3 C33P 109.3(3) . . ?
C31P Mo3 C33P 58.4(3) . . ?
C35P Mo3 C33P 59.1(3) . . ?
C34P Mo3 C33P 35.3(3) . . ?
C32P Mo3 C33P 35.0(3) . . ?
C31C Mo3 P4 88.97(19) . . ?
C32C Mo3 P4 123.9(2) . . ?
C31P Mo3 P4 106.3(2) . . ?
C35P Mo3 P4 141.7(2) . . ?
C34P Mo3 P4 142.1(2) . . ?
C32P Mo3 P4 88.3(2) . . ?
C33P Mo3 P4 106.80(19) . . ?
C31C Mo3 P3 78.4(2) . . ?
C32C Mo3 P3 75.2(2) . . ?
C31P Mo3 P3 149.7(2) . . ?
C35P Mo3 P3 161.8(2) . . ?
C34P Mo3 P3 151.5(2) . . ?
C32P Mo3 P3 136.8(2) . . ?
C33P Mo3 P3 138.13(19) . . ?
P4 Mo3 P3 49.53(6) . . ?
C31C Mo3 Mo4 129.0(2) . . ?
C32C Mo3 Mo4 86.9(2) . . ?
C31P Mo3 Mo4 135.0(2) . . ?
C35P Mo3 Mo4 144.2(2) . . ?
C34P Mo3 Mo4 109.6(2) . . ?
C32P Mo3 Mo4 99.6(2) . . ?
C33P Mo3 Mo4 86.91(19) . . ?
P4 Mo3 Mo4 53.90(4) . . ?
P3 Mo3 Mo4 51.31(4) . . ?
C41C Mo4 C42C 87.5(3) . . ?
C41C Mo4 C43P 85.6(3) . . ?
C42C Mo4 C43P 132.8(3) . . ?
C41C Mo4 C44P 87.7(3) . . ?
C42C Mo4 C44P 97.2(3) . . ?
C43P Mo4 C44P 35.9(3) . . ?
C41C Mo4 C45P 121.1(3) . . ?
C42C Mo4 C45P 85.4(3) . . ?
C43P Mo4 C45P 59.5(3) . . ?
C44P Mo4 C45P 36.0(3) . . ?
C41C Mo4 C42P 115.9(3) . . ?
C42C Mo4 C42P 143.6(3) . . ?
C43P Mo4 C42P 34.7(3) . . ?
C44P Mo4 C42P 58.9(3) . . ?
C45P Mo4 C42P 58.9(2) . . ?
C41C Mo4 C41P 143.2(3) . . ?
C42C Mo4 C41P 110.0(3) . . ?
C43P Mo4 C41P 58.5(3) . . ?
C44P Mo4 C41P 58.9(3) . . ?
C45P Mo4 C41P 35.1(2) . . ?
C42P Mo4 C41P 35.3(3) . . ?
C41C Mo4 P3 89.5(2) . . ?
C42C Mo4 P3 122.9(2) . . ?
C43P Mo4 P3 103.72(19) . . ?
C44P Mo4 P3 139.6(2) . . ?
C45P Mo4 P3 140.74(18) . . ?
C42P Mo4 P3 86.79(18) . . ?
C41P Mo4 P3 105.73(17) . . ?
C41C Mo4 P4 76.8(2) . . ?
C42C Mo4 P4 74.54(19) . . ?
C43P Mo4 P4 147.13(19) . . ?
C44P Mo4 P4 162.6(2) . . ?
C45P Mo4 P4 152.9(2) . . ?
C42P Mo4 P4 135.46(18) . . ?
C41P Mo4 P4 138.15(19) . . ?
P3 Mo4 P4 49.42(5) . . ?
C41C Mo4 Mo3 127.6(2) . . ?
C42C Mo4 Mo3 85.3(2) . . ?
C43P Mo4 Mo3 133.7(2) . . ?
C44P Mo4 Mo3 144.6(2) . . ?
C45P Mo4 Mo3 109.9(2) . . ?
C42P Mo4 Mo3 99.4(2) . . ?
C41P Mo4 Mo3 87.02(19) . . ?
P3 Mo4 Mo3 53.61(4) . . ?
P4 Mo4 Mo3 51.33(4) . . ?
C52C Mo5 C53C 93.9(12) . . ?
C53C Mo5 C51C 88.6(4) . . ?
C52C Mo5 C55P 76.0(13) . . ?
C53C Mo5 C55P 97.3(4) . . ?
C51C Mo5 C55P 91.3(6) . . ?
C52C Mo5 C51P 109.5(12) . . ?
C53C Mo5 C51P 85.0(4) . . ?
C51C Mo5 C51P 123.7(6) . . ?
C55P Mo5 C51P 35.0(5) . . ?
C52C Mo5 C54P 74.4(13) . . ?
C53C Mo5 C54P 133.0(4) . . ?
C51C Mo5 C54P 88.7(6) . . ?
C55P Mo5 C54P 35.8(4) . . ?
C51P Mo5 C54P 58.4(5) . . ?
C52C Mo5 C53P 105.7(13) . . ?
C53C Mo5 C53P 143.3(4) . . ?
C51C Mo5 C53P 117.5(5) . . ?
C55P Mo5 C53P 59.4(4) . . ?
C51P Mo5 C53P 59.4(4) . . ?
C54P Mo5 C53P 34.7(4) . . ?
C52C Mo5 C52P 131.4(13) . . ?
C53C Mo5 C52P 109.2(3) . . ?
C51C Mo5 C52P 146.7(5) . . ?
C55P Mo5 C52P 59.4(5) . . ?
C51P Mo5 C52P 36.1(4) . . ?
C54P Mo5 C52P 58.4(5) . . ?
C53P Mo5 C52P 35.7(4) . . ?
C52C Mo5 P5 93.8(11) . . ?
C53C Mo5 P5 121.9(2) . . ?
C51C Mo5 P5 84.1(4) . . ?
C55P Mo5 P5 140.2(3) . . ?
C51P Mo5 P5 143.6(3) . . ?
C54P Mo5 P5 104.5(3) . . ?
C53P Mo5 P5 88.0(2) . . ?
C52P Mo5 P5 107.7(2) . . ?
C52C Mo5 P6 88.1(12) . . ?
C53C Mo5 P6 73.3(3) . . ?
C51C Mo5 P6 72.5(4) . . ?
C55P Mo5 P6 161.2(4) . . ?
C51P Mo5 P6 153.1(3) . . ?
C54P Mo5 P6 148.3(4) . . ?
C53P Mo5 P6 136.6(2) . . ?
C52P Mo5 P6 138.8(3) . . ?
P5 Mo5 P6 49.56(6) . . ?
C52C Mo5 Mo6 138.3(12) . . ?
C53C Mo5 Mo6 85.1(2) . . ?
C51C Mo5 Mo6 123.2(4) . . ?
C55P Mo5 Mo6 145.5(4) . . ?
C51P Mo5 Mo6 111.9(4) . . ?
C54P Mo5 Mo6 133.4(3) . . ?
C53P Mo5 Mo6 99.1(2) . . ?
C52P Mo5 Mo6 87.2(3) . . ?
P5 Mo5 Mo6 53.84(5) . . ?
P6 Mo5 Mo6 51.64(6) . . ?
C62C Mo6 C61C 88.3(6) . . ?
C61C Mo6 C63C 93.1(7) . . ?
C62C Mo6 C65P 78.2(9) . . ?
C61C Mo6 C65P 101.7(9) . . ?
C62C Mo6 C61P 112.6(8) . . ?
C61C Mo6 C61P 88.8(9) . . ?
C65P Mo6 C61P 37.2(9) . . ?
C62C Mo6 C62P 138.2(15) . . ?
C61C Mo6 C62P 115.0(16) . . ?
C65P Mo6 C62P 63.9(14) . . ?
C61P Mo6 C62P 40.1(15) . . ?
C62C Mo6 C64P 78.8(9) . . ?
C61C Mo6 C64P 139.5(8) . . ?
C65P Mo6 C64P 38.2(11) . . ?
C61P Mo6 C64P 62.2(11) . . ?
C62P Mo6 C64P 60.7(16) . . ?
C61C Mo6 C67P 140.8(5) . . ?
C63C Mo6 C67P 115.3(8) . . ?
C61C Mo6 C69P 127.7(7) . . ?
C63C Mo6 C69P 89.8(8) . . ?
C67P Mo6 C69P 34.7(7) . . ?
C61C Mo6 C68P 92.6(8) . . ?
C63C Mo6 C68P 99.2(9) . . ?
C67P Mo6 C68P 58.0(8) . . ?
C69P Mo6 C68P 35.7(9) . . ?
C62C Mo6 C63P 113.3(11) . . ?
C61C Mo6 C63P 149.1(8) . . ?
C65P Mo6 C63P 64.1(10) . . ?
C61P Mo6 C63P 63.0(11) . . ?
C62P Mo6 C63P 34.5(18) . . ?
C64P Mo6 C63P 37.8(11) . . ?
C61C Mo6 C66P 108.7(9) . . ?
C63C Mo6 C66P 145.6(12) . . ?
C67P Mo6 C66P 34.2(11) . . ?
C69P Mo6 C66P 55.9(11) . . ?
C68P Mo6 C66P 54.9(11) . . ?
C73C Mo7 C71C 91.0(6) . . ?
C71C Mo7 C78P 112.0(13) . . ?
C71C Mo7 C72C 88.2(9) . . ?
C78P Mo7 C72C 144.1(15) . . ?
C71C Mo7 C76P 96.9(6) . . ?
C78P Mo7 C76P 62.9(15) . . ?
C72C Mo7 C76P 86.3(14) . . ?
C71C Mo7 C79P 147.2(9) . . ?
C78P Mo7 C79P 36.7(14) . . ?
C72C Mo7 C79P 114.2(11) . . ?
C76P Mo7 C79P 63.0(11) . . ?
C71C Mo7 C80P 133.4(7) . . ?
C78P Mo7 C80P 63.9(14) . . ?
C72C Mo7 C80P 80.6(11) . . ?
C76P Mo7 C80P 37.8(9) . . ?
C79P Mo7 C80P 39.1(10) . . ?
C71C Mo7 C77P 85.9(7) . . ?
C78P Mo7 C77P 36.4(14) . . ?
C72C Mo7 C77P 123.3(12) . . ?
C76P Mo7 C77P 39.1(11) . . ?
C79P Mo7 C77P 62.0(11) . . ?
C80P Mo7 C77P 64.4(10) . . ?
C73C Mo7 C72P 83.6(8) . . ?
C71C Mo7 C72P 133.5(5) . . ?
C73C Mo7 C71P 86.5(8) . . ?
C71C Mo7 C71P 97.7(6) . . ?
C72P Mo7 C71P 36.0(7) . . ?
C73C Mo7 P7 91.3(5) . . ?
C71C Mo7 P7 121.3(3) . . ?
C78P Mo7 P7 110.4(13) . . ?
C72C Mo7 P7 80.1(10) . . ?
C76P Mo7 P7 138.6(7) . . ?
C79P Mo7 P7 87.4(9) . . ?
C80P Mo7 P7 101.2(6) . . ?
C77P Mo7 P7 146.5(7) . . ?
C72P Mo7 P7 105.0(5) . . ?
C71P Mo7 P7 141.0(6) . . ?
C73C Mo7 C73P 114.4(8) . . ?
C71C Mo7 C73P 140.6(6) . . ?
C72P Mo7 C73P 34.2(7) . . ?
C71P Mo7 C73P 57.1(8) . . ?
P7 Mo7 C73P 89.3(6) . . ?
C82C Mo8 C81C 89.5(3) . . ?
C82C Mo8 C81P 87.4(5) . . ?
C81C Mo8 C81P 120.0(5) . . ?
C82C Mo8 C86P 119.9(9) . . ?
C81C Mo8 C86P 87.6(8) . . ?
C82C Mo8 C85P 99.2(4) . . ?
C81C Mo8 C85P 86.0(4) . . ?
C81P Mo8 C85P 36.1(5) . . ?
C82C Mo8 C84P 135.4(4) . . ?
C81C Mo8 C84P 83.3(4) . . ?
C81P Mo8 C84P 59.8(6) . . ?
C85P Mo8 C84P 36.6(5) . . ?
C82C Mo8 C87P 137.5(9) . . ?
C81C Mo8 C87P 113.8(9) . . ?
C86P Mo8 C87P 34.7(11) . . ?
C82C Mo8 C82P 109.5(3) . . ?
C81C Mo8 C82P 143.0(3) . . ?
C81P Mo8 C82P 34.9(4) . . ?
C86P Mo8 C82P 55.5(8) . . ?
C85P Mo8 C82P 60.4(4) . . ?
C84P Mo8 C82P 60.8(4) . . ?
C87P Mo8 C82P 33.0(9) . . ?
C82C Mo8 C83P 145.5(5) . . ?
C81C Mo8 C83P 114.3(4) . . ?
C81P Mo8 C83P 59.4(7) . . ?
C85P Mo8 C83P 60.4(6) . . ?
C84P Mo8 C83P 35.8(5) . . ?
C82P Mo8 C83P 37.1(5) . . ?
C82C Mo8 C90P 86.7(8) . . ?
C81C Mo8 C90P 94.5(8) . . ?
C86P Mo8 C90P 34.0(10) . . ?
C87P Mo8 C90P 57.8(11) . . ?
C82P Mo8 C90P 56.9(8) . . ?
C82C Mo8 C88P 78.9(9) . . ?
C81C Mo8 C88P 125.4(9) . . ?
C86P Mo8 C88P 55.9(11) . . ?
C87P Mo8 C88P 58.6(12) . . ?
C82P Mo8 C88P 37.1(9) . . ?
C90P Mo8 C88P 32.5(11) . . ?
C82C Mo8 P8 123.9(2) . . ?
C81C Mo8 P8 86.6(3) . . ?
C81P Mo8 P8 140.6(4) . . ?
C86P Mo8 P8 115.8(9) . . ?
C85P Mo8 P8 136.1(4) . . ?
C84P Mo8 P8 99.6(4) . . ?
C87P Mo8 P8 93.8(8) . . ?
C82P Mo8 P8 106.5(2) . . ?
C83P Mo8 P8 84.0(5) . . ?
C90P Mo8 P8 149.4(8) . . ?
C88P Mo8 P8 143.1(8) . . ?
P2 P1 Mo2 67.51(7) . . ?
P2 P1 Mo1 63.32(7) . . ?
Mo2 P1 Mo1 75.30(5) . . ?
P2 P1 Ag1 129.64(9) . . ?
Mo2 P1 Ag1 136.67(8) . . ?
Mo1 P1 Ag1 146.65(8) . . ?
P1 P2 Mo1 67.14(7) . . ?
P1 P2 Ag2 121.28(9) . . ?
Mo1 P2 Ag2 147.81(8) . . ?
P1 P2 Mo2 62.99(7) . . ?
Mo1 P2 Mo2 75.05(5) . . ?
Ag2 P2 Mo2 137.14(8) . . ?
P4 P3 Mo4 67.52(7) . . ?
P4 P3 Mo3 63.43(7) . . ?
Mo4 P3 Mo3 75.08(5) . . ?
P4 P3 Ag2 128.96(9) . . ?
Mo4 P3 Ag2 138.46(8) . . ?
Mo3 P3 Ag2 145.26(8) . . ?
P3 P4 Mo3 67.04(7) . . ?
P3 P4 Ag1 121.59(9) . . ?
Mo3 P4 Ag1 148.55(8) . . ?
P3 P4 Mo4 63.06(6) . . ?
Mo3 P4 Mo4 74.77(5) . . ?
Ag1 P4 Mo4 136.68(8) . . ?
P6 P5 Mo5 68.69(8) . . ?
P6 P5 Ag1 125.88(11) . . ?
Mo5 P5 Ag1 148.13(9) . . ?
P6 P5 Mo6 63.76(8) . . ?
Mo5 P5 Mo6 75.07(5) . . ?
Ag1 P5 Mo6 135.94(9) . . ?
P5 P6 Mo6 66.48(8) . . ?
P5 P6 Mo5 61.75(8) . . ?
Mo6 P6 Mo5 73.59(7) . . ?
P8 P7 Mo7 68.30(9) . . ?
P8 P7 Ag2 124.76(11) . . ?
Mo7 P7 Ag2 152.01(9) . . ?
P8 P7 Mo8 64.24(9) . . ?
Mo7 P7 Mo8 74.60(5) . . ?
Ag2 P7 Mo8 132.63(8) . . ?
P7 P8 Mo8 66.31(8) . . ?
P7 P8 Mo7 62.21(8) . . ?
Mo8 P8 Mo7 73.22(7) . . ?
O11C C11C Mo1 174.9(7) . . ?
O12C C12C Mo1 178.3(7) . . ?
O21C C21C Mo2 177.6(7) . . ?
O22C C22C Mo2 176.6(7) . . ?
O31C C31C Mo3 176.8(7) . . ?
O32C C32C Mo3 177.7(7) . . ?
O41C C41C Mo4 177.2(8) . . ?
O42C C42C Mo4 176.5(6) . . ?
O51C C51C Mo5 174.6(15) . . ?
O52C C52C Mo5 173(3) . . ?
O53C C53C Mo5 178.0(8) . . ?
O61C C61C Mo6 175.8(7) . . ?
O62C C62C Mo6 174.1(18) . . ?
O63C C63C Mo6 170(2) . . ?
O71C C71C Mo7 177.3(8) . . ?
O73C C73C Mo7 178.8(17) . . ?
O72C C72C Mo7 178(3) . . ?
O81C C81C Mo8 177.1(8) . . ?
O82C C82C Mo8 177.5(7) . . ?
C15P C11P C12P 108.4(7) . . ?
C15P C11P Mo1 74.3(4) . . ?
C12P C11P Mo1 70.6(4) . . ?
C15P C11P H11P 125.7 . . ?
C12P C11P H11P 125.7 . . ?
Mo1 C11P H11P 125.7 . . ?
C11P C12P C13P 108.8(7) . . ?
C11P C12P Mo1 73.5(5) . . ?
C13P C12P Mo1 72.5(5) . . ?
C11P C12P H12P 125.4 . . ?
C13P C12P H12P 125.4 . . ?
Mo1 C12P H12P 125.4 . . ?
C14P C13P C12P 105.7(7) . . ?
C14P C13P Mo1 73.3(4) . . ?
C12P C13P Mo1 70.9(5) . . ?
C14P C13P H13P 126.9 . . ?
C12P C13P H13P 126.9 . . ?
Mo1 C13P H13P 126.9 . . ?
C15P C14P C13P 109.4(6) . . ?
C15P C14P Mo1 73.6(4) . . ?
C13P C14P Mo1 70.8(4) . . ?
C15P C14P H14P 125.2 . . ?
C13P C14P H14P 125.2 . . ?
Mo1 C14P H14P 125.2 . . ?
C11P C15P C14P 107.6(7) . . ?
C11P C15P Mo1 70.7(4) . . ?
C14P C15P Mo1 71.2(4) . . ?
C11P C15P H15P 126.2 . . ?
C14P C15P H15P 126.2 . . ?
Mo1 C15P H15P 126.2 . . ?
C25P C21P C22P 108.4(7) . . ?
C25P C21P Mo2 70.9(4) . . ?
C22P C21P Mo2 73.8(4) . . ?
C25P C21P H21P 125.7 . . ?
C22P C21P H21P 125.7 . . ?
Mo2 C21P H21P 125.7 . . ?
C21P C22P C23P 108.0(8) . . ?
C21P C22P Mo2 71.0(4) . . ?
C23P C22P Mo2 72.4(4) . . ?
C21P C22P H22P 125.9 . . ?
C23P C22P H22P 125.9 . . ?
Mo2 C22P H22P 125.9 . . ?
C22P C23P C24P 108.3(7) . . ?
C22P C23P Mo2 72.5(4) . . ?
C24P C23P Mo2 70.7(4) . . ?
C22P C23P H23P 125.8 . . ?
C24P C23P H23P 125.8 . . ?
Mo2 C23P H23P 125.8 . . ?
C23P C24P C25P 107.0(7) . . ?
C23P C24P Mo2 74.0(4) . . ?
C25P C24P Mo2 70.7(4) . . ?
C23P C24P H24P 126.3 . . ?
C25P C24P H24P 126.3 . . ?
Mo2 C24P H24P 126.3 . . ?
C21P C25P C24P 108.3(7) . . ?
C21P C25P Mo2 73.7(4) . . ?
C24P C25P Mo2 72.8(4) . . ?
C21P C25P H25P 125.6 . . ?
C24P C25P H25P 125.6 . . ?
Mo2 C25P H25P 125.6 . . ?
C35P C31P C32P 110.3(8) . . ?
C35P C31P Mo3 72.9(5) . . ?
C32P C31P Mo3 74.6(5) . . ?
C35P C31P H31P 124.7 . . ?
C32P C31P H31P 124.7 . . ?
Mo3 C31P H31P 124.7 . . ?
C31P C32P C33P 106.4(7) . . ?
C31P C32P Mo3 69.8(5) . . ?
C33P C32P Mo3 73.3(4) . . ?
C31P C32P H32P 126.6 . . ?
C33P C32P H32P 126.6 . . ?
Mo3 C32P H32P 126.6 . . ?
C32P C33P C34P 108.0(7) . . ?
C32P C33P Mo3 71.7(4) . . ?
C34P C33P Mo3 71.0(4) . . ?
C32P C33P H33P 125.9 . . ?
C34P C33P H33P 125.9 . . ?
Mo3 C33P H33P 125.9 . . ?
C35P C34P C33P 108.3(7) . . ?
C35P C34P Mo3 71.1(4) . . ?
C33P C34P Mo3 73.7(4) . . ?
C35P C34P H34P 125.7 . . ?
C33P C34P H34P 125.7 . . ?
Mo3 C34P H34P 125.7 . . ?
C31P C35P C34P 106.9(7) . . ?
C31P C35P Mo3 71.6(5) . . ?
C34P C35P Mo3 73.4(5) . . ?
C31P C35P H35P 126.3 . . ?
C34P C35P H35P 126.3 . . ?
Mo3 C35P H35P 126.3 . . ?
C45P C41P C42P 107.9(7) . . ?
C45P C41P Mo4 71.1(4) . . ?
C42P C41P Mo4 71.4(4) . . ?
C45P C41P H41P 126.0 . . ?
C42P C41P H41P 126.0 . . ?
Mo4 C41P H41P 126.0 . . ?
C43P C42P C41P 108.5(6) . . ?
C43P C42P Mo4 71.3(4) . . ?
C41P C42P Mo4 73.4(4) . . ?
C43P C42P H42P 125.6 . . ?
C41P C42P H42P 125.6 . . ?
Mo4 C42P H42P 125.6 . . ?
C42P C43P C44P 108.8(7) . . ?
C42P C43P Mo4 73.9(4) . . ?
C44P C43P Mo4 72.3(4) . . ?
C42P C43P H43P 125.4 . . ?
C44P C43P H43P 125.4 . . ?
Mo4 C43P H43P 125.4 . . ?
C43P C44P C45P 107.2(7) . . ?
C43P C44P Mo4 71.8(4) . . ?
C45P C44P Mo4 72.7(4) . . ?
C43P C44P H44P 126.2 . . ?
C45P C44P H44P 126.2 . . ?
Mo4 C44P H44P 126.2 . . ?
C41P C45P C44P 107.5(7) . . ?
C41P C45P Mo4 73.8(4) . . ?
C44P C45P Mo4 71.3(4) . . ?
C41P C45P H45P 126.0 . . ?
C44P C45P H45P 126.0 . . ?
Mo4 C45P H45P 126.0 . . ?
C55P C51P C52P 109.6(9) . . ?
C55P C51P Mo5 72.1(6) . . ?
C52P C51P Mo5 74.6(5) . . ?
C55P C51P H51P 125.0 . . ?
C52P C51P H51P 125.0 . . ?
Mo5 C51P H51P 125.0 . . ?
C51P C52P C53P 105.8(10) . . ?
C51P C52P Mo5 69.3(6) . . ?
C53P C52P Mo5 71.8(6) . . ?
C51P C52P H52P 127.0 . . ?
C53P C52P H52P 127.0 . . ?
Mo5 C52P H52P 127.0 . . ?
C54P C53P C52P 107.1(10) . . ?
C54P C53P Mo5 71.1(6) . . ?
C52P C53P Mo5 72.5(5) . . ?
C54P C53P H53P 126.3 . . ?
C52P C53P H53P 126.3 . . ?
Mo5 C53P H53P 126.3 . . ?
C53P C54P C55P 110.1(13) . . ?
C53P C54P Mo5 74.3(5) . . ?
C55P C54P Mo5 70.9(5) . . ?
C53P C54P H54P 124.9 . . ?
C55P C54P H54P 124.9 . . ?
Mo5 C54P H54P 124.9 . . ?
C51P C55P C54P 107.4(11) . . ?
C51P C55P Mo5 72.9(6) . . ?
C54P C55P Mo5 73.2(6) . . ?
C51P C55P H55P 126.0 . . ?
C54P C55P H55P 126.0 . . ?
Mo5 C55P H55P 126.0 . . ?
C65P C61P C62P 105(4) . . ?
C65P C61P Mo6 68.8(19) . . ?
C62P C61P Mo6 70(2) . . ?
C65P C61P H61A 127.5 . . ?
C62P C61P H61A 127.5 . . ?
Mo6 C61P H61A 127.5 . . ?
C63P C62P C61P 111(4) . . ?
C63P C62P Mo6 75(3) . . ?
C61P C62P Mo6 70(2) . . ?
C63P C62P H62A 124.7 . . ?
C61P C62P H62A 124.7 . . ?
Mo6 C62P H62A 124.6 . . ?
C62P C63P C64P 107(3) . . ?
C62P C63P Mo6 70(2) . . ?
C64P C63P Mo6 69.5(16) . . ?
C62P C63P H63A 126.5 . . ?
C64P C63P H63A 126.5 . . ?
Mo6 C63P H63A 126.5 . . ?
C65P C64P C63P 108(2) . . ?
C65P C64P Mo6 67.2(16) . . ?
C63P C64P Mo6 72.7(17) . . ?
C65P C64P H64A 125.8 . . ?
C63P C64P H64A 125.8 . . ?
Mo6 C64P H64A 125.8 . . ?
C61P C65P C64P 109(3) . . ?
C61P C65P Mo6 74.0(19) . . ?
C64P C65P Mo6 74.6(16) . . ?
C61P C65P H65A 125.2 . . ?
C64P C65P H65A 125.2 . . ?
Mo6 C65P H65A 125.2 . . ?
C70P C66P C67P 114(3) . . ?
C70P C66P Mo6 75(2) . . ?
C67P C66P Mo6 70.3(18) . . ?
C70P C66P H66A 122.9 . . ?
C67P C66P H66A 122.9 . . ?
Mo6 C66P H66A 122.9 . . ?
C69P C67P C66P 106(2) . . ?
C69P C67P Mo6 72.9(11) . . ?
C66P C67P Mo6 75.5(14) . . ?
C69P C67P H67A 126.5 . . ?
C66P C67P H67A 126.5 . . ?
Mo6 C67P H67A 126.5 . . ?
C70P C68P C69P 108(3) . . ?
C70P C68P Mo6 74.8(18) . . ?
C69P C68P Mo6 71.6(12) . . ?
C70P C68P H68A 125.7 . . ?
C69P C68P H68A 125.7 . . ?
Mo6 C68P H68A 125.7 . . ?
C67P C69P C68P 107(2) . . ?
C67P C69P Mo6 72.4(11) . . ?
C68P C69P Mo6 72.7(13) . . ?
C67P C69P H69A 126.3 . . ?
C68P C69P H69A 126.3 . . ?
Mo6 C69P H69A 126.3 . . ?
C66P C70P C68P 105(3) . . ?
C66P C70P Mo6 73(2) . . ?
C68P C70P Mo6 70.2(16) . . ?
C72P C71P C75P 106.8(18) . . ?
C72P C71P Mo7 71.5(11) . . ?
C75P C71P Mo7 74.4(13) . . ?
C72P C71P H71P 126.3 . . ?
C75P C71P H71P 126.3 . . ?
Mo7 C71P H71P 126.3 . . ?
C73P C72P C71P 106.0(19) . . ?
C73P C72P Mo7 75.7(13) . . ?
C71P C72P Mo7 72.5(11) . . ?
C73P C72P H72P 126.4 . . ?
C71P C72P H72P 126.4 . . ?
Mo7 C72P H72P 126.4 . . ?
C74P C73P C72P 109(2) . . ?
C74P C73P Mo7 74.8(14) . . ?
C72P C73P Mo7 70.2(12) . . ?
C74P C73P H73P 125.5 . . ?
C72P C73P H73P 125.5 . . ?
Mo7 C73P H73P 125.5 . . ?
C75P C74P C73P 112(2) . . ?
C75P C74P Mo7 72.6(13) . . ?
C73P C74P Mo7 72.3(13) . . ?
C74P C75P C71P 106(2) . . ?
C74P C75P Mo7 75.1(12) . . ?
C71P C75P Mo7 70.0(12) . . ?
C80P C76P C77P 110(2) . . ?
C80P C76P Mo7 72.8(17) . . ?
C77P C76P Mo7 72.9(16) . . ?
C80P C76P H76P 124.9 . . ?
C77P C76P H76P 124.9 . . ?
Mo7 C76P H76P 124.9 . . ?
C78P C77P C76P 103(3) . . ?
C78P C77P Mo7 65(2) . . ?
C76P C77P Mo7 68.0(18) . . ?
C78P C77P H77P 128.5 . . ?
C76P C77P H77P 128.5 . . ?
Mo7 C77P H77P 128.5 . . ?
C79P C78P C77P 115(3) . . ?
C79P C78P Mo7 77(3) . . ?
C77P C78P Mo7 78(3) . . ?
C79P C78P H78P 122.0 . . ?
C77P C78P H78P 122.0 . . ?
Mo7 C78P H78P 122.0 . . ?
C78P C79P C80P 106(3) . . ?
C78P C79P Mo7 66(3) . . ?
C80P C79P Mo7 70.6(17) . . ?
C78P C79P H79P 126.8 . . ?
C80P C79P H79P 126.8 . . ?
Mo7 C79P H79P 126.8 . . ?
C76P C80P C79P 104(2) . . ?
C76P C80P Mo7 69.4(16) . . ?
C79P C80P Mo7 70.3(16) . . ?
C76P C80P H80P 127.8 . . ?
C79P C80P H80P 127.8 . . ?
Mo7 C80P H80P 127.8 . . ?
C81P C82P C83P 104.7(12) . . ?
C87P C82P C88P 110(2) . . ?
C87P C82P Mo8 73.6(16) . . ?
C81P C82P Mo8 68.0(6) . . ?
C83P C82P Mo8 71.8(6) . . ?
C88P C82P Mo8 74.8(14) . . ?
C87P C82P H82P 133.1 . . ?
C81P C82P H82P 134.0 . . ?
C83P C82P H82P 121.3 . . ?
C88P C82P H82P 116.1 . . ?
Mo8 C82P H82P 125.8 . . ?
C82P C81P C85P 113.6(16) . . ?
C82P C81P Mo8 77.1(7) . . ?
C85P C81P Mo8 72.9(7) . . ?
C82P C81P H81P 123.0 . . ?
C85P C81P H81P 123.0 . . ?
Mo8 C81P H81P 123.0 . . ?
C84P C83P C82P 106.8(15) . . ?
C84P C83P Mo8 70.3(7) . . ?
C82P C83P Mo8 71.0(6) . . ?
C84P C83P H83P 126.5 . . ?
C82P C83P H83P 126.5 . . ?
Mo8 C83P H83P 126.5 . . ?
C85P C84P C83P 108.2(13) . . ?
C85P C84P Mo8 69.7(6) . . ?
C83P C84P Mo8 74.0(7) . . ?
C85P C84P H84P 125.8 . . ?
C83P C84P H84P 125.8 . . ?
Mo8 C84P H84P 125.8 . . ?
C81P C85P C84P 106.6(12) . . ?
C81P C85P Mo8 71.0(7) . . ?
C84P C85P Mo8 73.7(6) . . ?
C81P C85P H85P 126.5 . . ?
C84P C85P H85P 126.5 . . ?
Mo8 C85P H85P 126.5 . . ?
C87P C86P C90P 113(3) . . ?
C87P C86P Mo8 77(2) . . ?
C90P C86P Mo8 78(2) . . ?
C87P C86P H86P 122.8 . . ?
C90P C86P H86P 122.8 . . ?
Mo8 C86P H86P 122.8 . . ?
C82P C87P C86P 104(3) . . ?
C82P C87P Mo8 73.4(17) . . ?
C86P C87P Mo8 68.5(19) . . ?
C82P C87P H87P 127.6 . . ?
C86P C87P H87P 127.6 . . ?
Mo8 C87P H87P 127.6 . . ?
C90P C88P C82P 103(3) . . ?
C90P C88P Mo8 71(2) . . ?
C82P C88P Mo8 68.1(13) . . ?
C90P C88P H88P 128.5 . . ?
C82P C88P H88P 128.5 . . ?
Mo8 C88P H88P 128.5 . . ?
C88P C90P C86P 109(3) . . ?
C88P C90P Mo8 77(2) . . ?
C86P C90P Mo8 68.0(18) . . ?
C88P C90P H90P 125.3 . . ?
C86P C90P H90P 125.3 . . ?
Mo8 C90P H90P 125.3 . . ?
C1L N1 C5L 116.4(7) . . ?
C1L N1 Ag1 117.6(6) . 2_564 ?
C5L N1 Ag1 126.0(5) . 2_564 ?
C10L N2 C11L 117.1(7) . . ?
C10L N2 Ag2 119.0(5) . . ?
C11L N2 Ag2 123.9(5) . . ?
N1 C1L C2L 126.8(9) . . ?
N1 C1L H1L 116.6 . . ?
C2L C1L H1L 116.6 . . ?
C3L C2L C1L 120.2(9) . . ?
C1L C2L C3LA 108.8(8) . . ?
C3L C2L H2L 119.9 . . ?
C1L C2L H2L 119.9 . . ?
C1L C2L H2LA 125.6 . . ?
C3LA C2L H2LA 125.6 . . ?
C2L C3L C4L 116.4(12) . . ?
C2L C3L C6L 125.3(12) . . ?
C4L C3L C6L 118.3(13) . . ?
C3L C4L C5L 121.9(13) . . ?
C3L C4L H4L 119.1 . . ?
C5L C4L H4L 119.1 . . ?
C7L C6L C3L 176.9(17) . . ?
C6L C7L C8L 161.7(17) . . ?
C9L C8L C7L 109.3(14) . . ?
C9L C8L C12L 120.6(12) . . ?
C7L C8L C12L 129.3(11) . . ?
C8L C9L C10L 121.7(15) . . ?
C8L C9L H9L 119.2 . . ?
C10L C9L H9L 119.2 . . ?
C4LA C3LA C6LA 117.1(15) . . ?
C4LA C3LA C2L 114.1(13) . . ?
C6LA C3LA C2L 128.6(11) . . ?
C3LA C4LA C5L 128.2(15) . . ?
C3LA C4LA H4LA 115.9 . . ?
C5L C4LA H4LA 115.9 . . ?
C7LA C6LA C3LA 171.0(18) . . ?
C6LA C7LA C8LA 172.8(17) . . ?
C12L C8LA C9LA 116.3(13) . . ?
C12L C8LA C7LA 124.3(12) . . ?
C9LA C8LA C7LA 119.4(13) . . ?
C8LA C9LA C10L 124.1(13) . . ?
C8LA C9LA H9LA 118.0 . . ?
C10L C9LA H9LA 118.0 . . ?
N1 C5L C4LA 125.3(9) . . ?
N1 C5L C4L 117.6(9) . . ?
N1 C5L H5L 121.2 . . ?
C4L C5L H5L 121.2 . . ?
N1 C5L H5LA 117.4 . . ?
C4LA C5L H5LA 117.4 . . ?
C9L C10L N2 126.6(10) . . ?
N2 C10L C9LA 114.9(9) . . ?
C9L C10L H10L 116.7 . . ?
N2 C10L H10L 116.7 . . ?
N2 C10L H10A 122.6 . . ?
C9LA C10L H10A 122.6 . . ?
N2 C11L C12L 127.1(9) . . ?
N2 C11L H11L 116.4 . . ?
C12L C11L H11L 116.4 . . ?
C8LA C12L C11L 120.4(9) . . ?
C11L C12L C8L 106.4(8) . . ?
C11L C12L H12L 126.8 . . ?
C8L C12L H12L 126.8 . . ?
C8LA C12L H12A 119.8 . . ?
C11L C12L H12A 119.8 . . ?
O1A Al1A O3B 135.4(9) . . ?
O1A Al1A O2A 117.9(4) . . ?
O3B Al1A O2A 87.9(8) . . ?
O1A Al1A O4A 108.5(5) . . ?
O3B Al1A O4A 96.6(7) . . ?
O2A Al1A O4A 106.2(4) . . ?
C1 O1A Al1A 146.9(7) . . ?
C2 O2A Al1A 148.6(7) . . ?
O4B Al1B O3A 117.1(12) . . ?
O4B Al1B O2B 106.7(17) . . ?
O3A Al1B O2B 135.4(14) . . ?
O4B Al1B O1B 98.9(14) . . ?
O3A Al1B O1B 76.5(10) . . ?
O2B Al1B O1B 105.8(11) . . ?
C1 O1B Al1B 141.5(17) . . ?
C2 O2B Al1B 146(2) . . ?
O1A C1 C13A 111.8(7) . . ?
O1A C1 C12 110.0(6) . . ?
O1B C1 C12 106.6(10) . . ?
C13A C1 C12 111.1(8) . . ?
O1B C1 C11B 116(2) . . ?
C12 C1 C11B 119(2) . . ?
O1A C1 C11A 108.3(8) . . ?
C13A C1 C11A 108.6(9) . . ?
C12 C1 C11A 106.9(7) . . ?
O1B C1 C13B 100.3(17) . . ?
C12 C1 C13B 105.3(13) . . ?
C11B C1 C13B 108(2) . . ?
F11A C11A F11C 107.7(12) . . ?
F11A C11A F11B 107.5(10) . . ?
F11C C11A F11B 105.4(11) . . ?
F11A C11A C1 113.9(10) . . ?
F11C C11A C1 112.1(10) . . ?
F11B C11A C1 109.8(11) . . ?
F13A C13A F13B 106.9(11) . . ?
F13A C13A F13C 107.2(10) . . ?
F13B C13A F13C 107.1(9) . . ?
F13A C13A C1 112.3(9) . . ?
F13B C13A C1 109.9(9) . . ?
F13C C13A C1 113.1(11) . . ?
F11D C11B F11E 103(5) . . ?
F11D C11B F11F 117(5) . . ?
F11E C11B F11F 110(4) . . ?
F11D C11B C1 110(4) . . ?
F11E C11B C1 114(4) . . ?
F11F C11B C1 103(4) . . ?
F13F C13B F13E 107(3) . . ?
F13F C13B F13D 110(3) . . ?
F13E C13B F13D 105(3) . . ?
F13F C13B C1 116(3) . . ?
F13E C13B C1 111(3) . . ?
F13D C13B C1 107(2) . . ?
F12F C12 F12D 113.1(16) . . ?
F12B C12 F12A 108.8(6) . . ?
F12B C12 F12C 108.2(7) . . ?
F12A C12 F12C 105.9(8) . . ?
F12F C12 F12E 112.3(13) . . ?
F12D C12 F12E 101.6(16) . . ?
F12F C12 C1 120.2(11) . . ?
F12D C12 C1 104.9(13) . . ?
F12B C12 C1 112.4(8) . . ?
F12A C12 C1 111.8(6) . . ?
F12C C12 C1 109.5(6) . . ?
F12E C12 C1 102.5(11) . . ?
O2A C2 C21 112.7(6) . . ?
O2A C2 C23 108.1(6) . . ?
C21 C2 C23 110.9(8) . . ?
O2A C2 C22 109.1(7) . . ?
C21 C2 C22 108.2(6) . . ?
C23 C2 C22 107.5(7) . . ?
O2B C2 C25 118.5(15) . . ?
O2B C2 C26 107.7(15) . . ?
C25 C2 C26 110.0(14) . . ?
O2B C2 C24 104.8(14) . . ?
C25 C2 C24 110.8(14) . . ?
C26 C2 C24 104.1(14) . . ?
F21C C21 F21B 106.2(8) . . ?
F21C C21 F21A 107.1(7) . . ?
F21B C21 F21A 109.3(8) . . ?
F21C C21 C2 113.8(7) . . ?
F21B C21 C2 110.3(7) . . ?
F21A C21 C2 110.1(7) . . ?
F22C C22 F22A 110.3(8) . . ?
F22C C22 F22B 107.4(8) . . ?
F22A C22 F22B 107.3(8) . . ?
F22C C22 C2 109.3(8) . . ?
F22A C22 C2 112.4(8) . . ?
F22B C22 C2 109.9(7) . . ?
F23B C23 F23A 110.9(9) . . ?
F23B C23 F23C 108.4(9) . . ?
F23A C23 F23C 103.1(10) . . ?
F23B C23 C2 113.4(10) . . ?
F23A C23 C2 109.6(9) . . ?
F23C C23 C2 110.9(8) . . ?
F24C C24 F24B 140(3) . . ?
F24C C24 F24A 96(2) . . ?
F24B C24 F24A 115(3) . . ?
F24C C24 C2 101(2) . . ?
F24B C24 C2 99(2) . . ?
F24A C24 C2 99(2) . . ?
F25C C25 F25A 120(2) . . ?
F25C C25 F25B 139(3) . . ?
F25A C25 F25B 85(2) . . ?
F25C C25 C2 100.2(19) . . ?
F25A C25 C2 98(2) . . ?
F25B C25 C2 108(2) . . ?
F26A C26 F26C 97.3(19) . . ?
F26A C26 F26B 120(3) . . ?
F26C C26 F26B 130(3) . . ?
F26A C26 C2 107(2) . . ?
F26C C26 C2 107.5(19) . . ?
F26B C26 C2 92.9(19) . . ?
O3B C3 C33A 116.7(18) . . ?
O3A C3 C32 110.3(7) . . ?
O3B C3 C32 109.6(11) . . ?
C33A C3 C32 110.6(13) . . ?
O3A C3 C31 110.4(8) . . ?
C32 C3 C31 111.1(9) . . ?
O3B C3 C31A 101.5(19) . . ?
C33A C3 C31A 109.9(16) . . ?
C32 C3 C31A 107.9(14) . . ?
O3A C3 C33B 106.5(8) . . ?
C32 C3 C33B 110.0(8) . . ?
C31 C3 C33B 108.4(10) . . ?
C3 O3A Al1B 142.8(7) . . ?
F31C C31 F31A 109.6(12) . . ?
F31C C31 F31B 105.9(14) . . ?
F31A C31 F31B 105.6(13) . . ?
F31C C31 C3 110.1(12) . . ?
F31A C31 C3 112.6(13) . . ?
F31B C31 C3 112.8(12) . . ?
F33D C33B F33F 108.1(14) . . ?
F33D C33B F33E 104.3(13) . . ?
F33F C33B F33E 109.0(13) . . ?
F33D C33B C3 114.5(11) . . ?
F33F C33B C3 112.0(11) . . ?
F33E C33B C3 108.5(11) . . ?
C3 O3B Al1A 148.1(18) . . ?
F31F C31A F31E 115(3) . . ?
F31F C31A F31D 104(3) . . ?
F31E C31A F31D 107(3) . . ?
F31F C31A C3 110(2) . . ?
F31E C31A C3 112(3) . . ?
F31D C31A C3 108(2) . . ?
F33B C33A F33C 112(3) . . ?
F33B C33A F33A 106(2) . . ?
F33C C33A F33A 104(2) . . ?
F33B C33A C3 112(2) . . ?
F33C C33A C3 114(2) . . ?
F33A C33A C3 109(2) . . ?
F32F C32 F32E 103.5(13) . . ?
F32F C32 F32D 111.9(13) . . ?
F32E C32 F32D 104.0(14) . . ?
F32A C32 F32B 105.2(8) . . ?
F32A C32 F32C 104.1(9) . . ?
F32B C32 F32C 108.2(8) . . ?
F32F C32 C3 113.7(11) . . ?
F32E C32 C3 109.7(11) . . ?
F32D C32 C3 113.2(10) . . ?
F32A C32 C3 113.9(7) . . ?
F32B C32 C3 111.9(8) . . ?
F32C C32 C3 112.9(7) . . ?
C43A C4 O4B 115(4) . . ?
O4A C4 C41 115.3(8) . . ?
C43A C4 C41A 103(4) . . ?
O4B C4 C41A 108(3) . . ?
O4A C4 C43 106.6(8) . . ?
C41 C4 C43 111.3(8) . . ?
O4A C4 C42 107.5(7) . . ?
C43A C4 C42 120(4) . . ?
O4B C4 C42 103.4(12) . . ?
C41 C4 C42 108.2(7) . . ?
C41A C4 C42 107(2) . . ?
C43 C4 C42 107.6(7) . . ?
C4 O4A Al1A 146.8(6) . . ?
F41B C41 F41A 107.0(9) . . ?
F41B C41 F41C 110.2(9) . . ?
F41A C41 F41C 108.1(9) . . ?
F41B C41 C4 108.0(9) . . ?
F41A C41 C4 111.4(9) . . ?
F41C C41 C4 112.0(8) . . ?
F43B C43 F43C 109.0(11) . . ?
F43B C43 F43A 107.7(10) . . ?
F43C C43 F43A 105.5(9) . . ?
F43B C43 C4 109.4(9) . . ?
F43C C43 C4 112.9(9) . . ?
F43A C43 C4 112.1(10) . . ?
C4 O4B Al1B 134(2) . . ?
F41F C41A F41E 119(4) . . ?
F41F C41A F41D 97(4) . . ?
F41E C41A F41D 92(4) . . ?
F41F C41A C4 122(4) . . ?
F41E C41A C4 109(3) . . ?
F41D C41A C4 113(4) . . ?
F43F C43A F43D 117(8) . . ?
F43F C43A C4 119(8) . . ?
F43D C43A C4 105(6) . . ?
F43F C43A F43E 114(8) . . ?
F43D C43A F43E 97(6) . . ?
C4 C43A F43E 102(6) . . ?
F42B C42 F42C 107.9(7) . . ?
F42B C42 F42A 106.0(7) . . ?
F42C C42 F42A 109.0(7) . . ?
F42F C42 F42D 108(3) . . ?
F42F C42 F42E 106.5(19) . . ?
F42D C42 F42E 113(3) . . ?
F42F C42 C4 105.4(14) . . ?
F42B C42 C4 112.1(7) . . ?
F42C C42 C4 109.4(7) . . ?
F42A C42 C4 112.3(6) . . ?
F42D C42 C4 107(2) . . ?
F42E C42 C4 116.3(16) . . ?
O8A Al2 O7 115.2(5) . . ?
O8B Al2 O7 101.7(9) . . ?
O8A Al2 O5 103.5(4) . . ?
O8B Al2 O5 117.1(9) . . ?
O7 Al2 O5 107.5(3) . . ?
O8A Al2 O6 114.2(5) . . ?
O7 Al2 O6 104.5(5) . . ?
O5 Al2 O6 112.0(5) . . ?
O8B Al2 O9 90.0(12) . . ?
O7 Al2 O9 121.3(7) . . ?
O5 Al2 O9 117.4(6) . . ?
C5 O5 Al2 146.6(5) . . ?
C54 C5 O5 110(2) . . ?
O5 C5 C53 112.1(8) . . ?
C54 C5 C56 112(3) . . ?
O5 C5 C56 115.2(17) . . ?
O5 C5 C52 107.4(7) . . ?
C53 C5 C52 110.7(7) . . ?
O5 C5 C51 110.2(6) . . ?
C53 C5 C51 110.2(8) . . ?
C52 C5 C51 106.0(8) . . ?
C54 C5 C55 111(2) . . ?
O5 C5 C55 110.4(11) . . ?
C56 C5 C55 98.2(16) . . ?
F51C C51 F51A 108.4(10) . . ?
F51C C51 F51B 109.6(9) . . ?
F51A C51 F51B 107.9(9) . . ?
F51C C51 C5 112.1(8) . . ?
F51A C51 C5 109.1(7) . . ?
F51B C51 C5 109.6(10) . . ?
F52C C52 F52A 104.4(8) . . ?
F52C C52 F52B 104.4(11) . . ?
F52A C52 F52B 110.6(9) . . ?
F52C C52 C5 109.7(9) . . ?
F52A C52 C5 113.2(10) . . ?
F52B C52 C5 113.8(8) . . ?
F53B C53 F53C 107.8(8) . . ?
F53B C53 F53A 106.5(9) . . ?
F53C C53 F53A 106.6(9) . . ?
F53B C53 C5 110.5(8) . . ?
F53C C53 C5 113.8(8) . . ?
F53A C53 C5 111.3(8) . . ?
F54B C54 C5 108(4) . . ?
F54B C54 F54A 106(4) . . ?
C5 C54 F54A 114(3) . . ?
F54B C54 F54C 115(4) . . ?
C5 C54 F54C 110(4) . . ?
F54A C54 F54C 104(3) . . ?
F55B C55 F55C 103(3) . . ?
F55B C55 F55A 96(2) . . ?
F55C C55 F55A 121(3) . . ?
F55B C55 C5 111(2) . . ?
F55C C55 C5 111(2) . . ?
F55A C55 C5 112(2) . . ?
F56A C56 F56B 103(3) . . ?
F56A C56 F56C 102(2) . . ?
F56B C56 F56C 100(2) . . ?
F56A C56 C5 119(3) . . ?
F56B C56 C5 108(2) . . ?
F56C C56 C5 122(3) . . ?
C6 O6 Al2 151.2(8) . . ?
O6 C6 C62 109.2(11) . . ?
O6 C6 C63 112.8(9) . . ?
C62 C6 C63 108.8(9) . . ?
O6 C6 C61 107.9(11) . . ?
C62 C6 C61 112.5(10) . . ?
C63 C6 C61 105.6(11) . . ?
F61C C61 F61B 110.3(16) . . ?
F61C C61 F61A 105.5(12) . . ?
F61B C61 F61A 108.1(11) . . ?
F61C C61 C6 112.0(10) . . ?
F61B C61 C6 113.8(12) . . ?
F61A C61 C6 106.6(14) . . ?
F62B C62 F62C 107.0(11) . . ?
F62B C62 F62A 100.0(12) . . ?
F62C C62 F62A 106.9(11) . . ?
F62B C62 C6 114.8(12) . . ?
F62C C62 C6 115.8(13) . . ?
F62A C62 C6 110.9(10) . . ?
F63A C63 F63C 104.5(9) . . ?
F63A C63 F63B 107.3(9) . . ?
F63C C63 F63B 102.8(8) . . ?
F63A C63 C6 115.1(10) . . ?
F63C C63 C6 112.0(9) . . ?
F63B C63 C6 113.9(8) . . ?
C9 O9 Al2 142.5(16) . . ?
O9 C9 C91 112.1(19) . . ?
O9 C9 C93 115.6(19) . . ?
C91 C9 C93 109.1(18) . . ?
O9 C9 C92 100.6(17) . . ?
C91 C9 C92 110.2(16) . . ?
C93 C9 C92 108.9(16) . . ?
F91B C91 F91A 106(2) . . ?
F91B C91 C9 109(2) . . ?
F91A C91 C9 116(2) . . ?
F91B C91 F91C 111(2) . . ?
F91A C91 F91C 106(2) . . ?
C9 C91 F91C 108.9(19) . . ?
F92A C92 F92B 90(2) . . ?
F92A C92 F92C 111(2) . . ?
F92B C92 F92C 117(3) . . ?
F92A C92 C9 117(2) . . ?
F92B C92 C9 113(2) . . ?
F92C C92 C9 107.8(18) . . ?
F93A C93 F93B 124(3) . . ?
F93A C93 C9 125(3) . . ?
F93B C93 C9 108(2) . . ?
F93A C93 F61B 70(3) . . ?
F93B C93 F61B 119(2) . . ?
C9 C93 F61B 102.1(19) . . ?
C7 O7 Al2 146.1(6) . . ?
O7 C7 C71 113.2(15) . . ?
O7 C7 C72 112.9(8) . . ?
C71 C7 C72 111.0(18) . . ?
O7 C7 C73 112.3(8) . . ?
C71 C7 C73 102.3(15) . . ?
C72 C7 C73 104.1(9) . . ?
O7 C7 C74 110.9(8) . . ?
C72 C7 C74 105.2(9) . . ?
O7 C7 C76 92.1(11) . . ?
C72 C7 C76 123.6(12) . . ?
C74 C7 C76 111.6(11) . . ?
F71A C71 F71B 86(3) . . ?
F71A C71 F71C 99(3) . . ?
F71B C71 F71C 109(3) . . ?
F71A C71 C7 98(3) . . ?
F71B C71 C7 127(3) . . ?
F71C C71 C7 122(3) . . ?
F72C C72 F72A 107.4(11) . . ?
F72C C72 F72B 105.4(9) . . ?
F72A C72 F72B 104.3(9) . . ?
F72C C72 C7 115.6(10) . . ?
F72A C72 C7 111.8(9) . . ?
F72B C72 C7 111.5(9) . . ?
C72 F72C C3S 159.4(16) . . ?
F73B C73 F73C 108.8(9) . . ?
F73B C73 F73A 106.6(10) . . ?
F73C C73 F73A 104.4(11) . . ?
F73B C73 C7 119.0(11) . . ?
F73C C73 C7 110.7(9) . . ?
F73A C73 C7 106.3(8) . . ?
F74B C74 F74D 123(2) . . ?
F74B C74 F74E 112.3(11) . . ?
F74D C74 F74E 84(2) . . ?
F74B C74 C7 115.1(11) . . ?
F74D C74 C7 112.2(18) . . ?
F74E C74 C7 104.9(10) . . ?
F76A C76 F76B 106.4(17) . . ?
F76A C76 F76C 106.6(19) . . ?
F76B C76 F76C 105.4(18) . . ?
F76A C76 C7 107(2) . . ?
F76B C76 C7 112.2(18) . . ?
F76C C76 C7 118(2) . . ?
C8 O8A Al2 143.7(11) . . ?
O8A C8 C83 114.5(11) . . ?
O8A C8 C81 103.3(12) . . ?
C83 C8 C81 116.0(18) . . ?
O8A C8 C82 107.9(16) . . ?
C83 C8 C82 107.4(13) . . ?
C81 C8 C82 107.4(12) . . ?
F81A C81 F81C 110.9(17) . . ?
F81A C81 F81B 107.0(14) . . ?
F81C C81 F81B 106.9(18) . . ?
F81A C81 C8 115.9(17) . . ?
F81C C81 C8 106.2(17) . . ?
F81B C81 C8 109.5(14) . . ?
F82B C82 F82C 111.9(17) . . ?
F82B C82 F82A 110.0(12) . . ?
F82C C82 F82A 105.6(12) . . ?
F82B C82 C8 110.9(12) . . ?
F82C C82 C8 111.7(11) . . ?
F82A C82 C8 106.4(14) . . ?
F83A C83 F83B 96.2(19) . . ?
F83A C83 F83C 110(2) . . ?
F83B C83 F83C 107.6(14) . . ?
F83A C83 C8 118(2) . . ?
F83B C83 C8 116.4(14) . . ?
F83C C83 C8 108.5(16) . . ?
C8B O8B Al2 171(3) . . ?
O8B C8B C86 100(5) . . ?
O8B C8B C87 117(5) . . ?
C86 C8B C87 105(4) . . ?
O8B C8B C85 120(4) . . ?
C86 C8B C85 105(5) . . ?
C87 C8B C85 108(4) . . ?
F85C C85 F85B 128(4) . . ?
F85C C85 F85A 111(3) . . ?
F85B C85 F85A 100(3) . . ?
F85C C85 C8B 112(3) . . ?
F85B C85 C8B 102(3) . . ?
F85A C85 C8B 100(3) . . ?
F86B C86 F86A 96(3) . . ?
F86B C86 F86D 124(3) . . ?
F86A C86 F86D 112(3) . . ?
F86B C86 C8B 112(3) . . ?
F86A C86 C8B 103(3) . . ?
F86D C86 C8B 108(4) . . ?
F87A C87 F87B 113.4(18) . . ?
F87A C87 F87C 101(3) . . ?
F87B C87 F87C 109(2) . . ?
F87A C87 C8B 116(4) . . ?
F87B C87 C8B 112(3) . . ?
F87C C87 C8B 103(4) . . ?
Cl11 C1S Cl12 112.6(6) . . ?
Cl11 C1S H1SA 109.1 . . ?
Cl12 C1S H1SA 109.1 . . ?
Cl11 C1S H1SB 109.1 . . ?
Cl12 C1S H1SB 109.1 . . ?
H1SA C1S H1SB 107.8 . . ?
Cl32 C3S F72C 80.8(17) . . ?
Cl32 C3S Cl31 106.8(18) . . ?
F72C C3S Cl31 98.8(17) . . ?
Cl41 Cl31 C3S 171(2) . . ?
Cl41 Cl31 C4S 35.8(13) . . ?
C3S Cl31 C4S 138.7(13) . . ?
Cl42 C4S Cl41 111.5(12) . . ?
Cl42 C4S Cl31 124.6(12) . . ?
Cl41 C4S Cl31 13.3(5) . . ?
Cl42 C4S H4S1 109.3 . . ?
Cl41 C4S H4S1 109.3 . . ?
Cl31 C4S H4S1 103.7 . . ?
Cl42 C4S H4S2 109.3 . . ?
Cl41 C4S H4S2 109.3 . . ?
Cl31 C4S H4S2 100.7 . . ?
H4S1 C4S H4S2 108.0 . . ?
Cl31 Cl41 C4S 131.0(17) . . ?

_refine_diff_density_max         1.529
_refine_diff_density_min         -1.661
_refine_diff_density_rms         0.146

####################################################################### 
# 
# 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_c1
_database_code_depnum_ccdc_archive 'CCDC 1864893'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-11-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C48 H36 Ag2 Mo4 N4 O8 P4, (C16 Al F36 O4)2, (C1 H2 Cl2)2.4'
_chemical_formula_structural     
'Ag2 ((C5 H5)2 Mo2 P2 (CO)4)2 (C10 H8 N2)2, (Al1 O4 C16 F36)2, (CH2Cl2)2.4'
_chemical_formula_sum            
'C82.40 H40.80 Ag2 Al2 Cl4.80 F72 Mo4 N4 O16 P4'
_chemical_formula_weight         3658.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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'

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

_cell_length_a                   18.1526(9)
_cell_length_b                   18.9664(7)
_cell_length_c                   18.8938(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.424(6)
_cell_angle_gamma                90.00
_cell_volume                     6096.0(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    123.0(3)
_cell_measurement_reflns_used    6449
_cell_measurement_theta_min      3.3700
_cell_measurement_theta_max      74.1310

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.181
_exptl_crystal_size_mid          0.104
_exptl_crystal_size_min          0.072
_exptl_crystal_F_000             3537.6
_exptl_crystal_density_diffrn    1.993
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.0467
1 0 0 0.0257
-5 2 0 0.0501
0 -1 1 0.0396
3 -5 -5 0.0548
-3 5 5 0.0838
-2 5 -1 0.0443
2 5 -1 0.0361
-2 -5 -1 0.0526
0 1 -5 0.0831
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9982 -0.0008 0.0007 -0.0845 0.0288 0.0139
0.9982 0.0008 -0.0007 0.0845 -0.0288 -0.0139
-4.9954 1.9940 0.0089 -0.4791 -0.0034 0.0312
0.0023 -0.9972 0.9986 0.0514 0.0860 -0.0640
3.0047 -5.0021 -5.0231 0.2796 0.2199 0.4696
-3.0047 5.0021 5.0231 -0.2796 -0.2199 -0.4696
-2.0074 4.9918 -0.9862 -0.3335 -0.3230 0.0154
1.9855 4.9952 -0.9889 0.0045 -0.4381 -0.0402
-1.9858 -4.9989 -1.0140 -0.0507 0.4133 0.2065
-0.0029 0.9898 -5.0044 -0.1437 -0.1356 0.3966
_exptl_absorpt_coefficient_mu    8.966
_exptl_absorpt_correction_T_min  0.437
_exptl_absorpt_correction_T_max  0.603
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.37b (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.471
_oxdiff_exptl_absorpt_empirical_full_max 1.939
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_ambient_environment      N~2~
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            TitanS2
_diffrn_detector_area_resol_mean 4.1818
_diffrn_reflns_number            20614
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0895
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         74.79
_reflns_number_total             11772
_reflns_number_gt                7605
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0859P)²+0.0000P] 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         11772
_refine_ls_number_parameters     895
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1536
_refine_ls_wR_factor_gt          0.1453
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_restrained_S_all      0.964
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.99489(3) 0.42770(2) 0.48043(3) 0.02772(12) Uani 1 1 d . . .
Mo1 Mo 0.74250(4) 0.52709(3) 0.47154(4) 0.03340(15) Uani 1 1 d . . .
Mo2 Mo 0.78199(4) 0.55470(3) 0.33061(3) 0.03110(14) Uani 1 1 d . . .
P1 P 0.86799(12) 0.50158(10) 0.45434(11) 0.0326(4) Uani 1 1 d . . .
P2 P 0.84459(13) 0.61125(10) 0.45445(11) 0.0354(4) Uani 1 1 d . . .
C1 C 0.7895(6) 0.5686(5) 0.5742(6) 0.048(2) Uani 1 1 d . . .
C2 C 0.6873(5) 0.6203(5) 0.4460(5) 0.0423(19) Uani 1 1 d . . .
C3 C 0.7722(5) 0.4506(5) 0.3145(5) 0.0424(19) Uani 1 1 d . . .
C4 C 0.8843(5) 0.5452(4) 0.3156(5) 0.0399(18) Uani 1 1 d . . .
O1 O 0.8105(5) 0.5940(4) 0.6334(4) 0.066(2) Uani 1 1 d . . .
O2 O 0.6525(4) 0.6711(3) 0.4329(4) 0.0520(16) Uani 1 1 d . . .
O3 O 0.7631(4) 0.3919(3) 0.3005(4) 0.0550(17) Uani 1 1 d . . .
O4 O 0.9422(4) 0.5399(3) 0.3053(4) 0.0535(16) Uani 1 1 d . . .
C11 C 0.6529(6) 0.4789(5) 0.5183(6) 0.053(2) Uani 1 1 d . . .
H11A H 0.6336 0.5008 0.5567 0.063 Uiso 1 1 calc R . .
C12 C 0.6156(5) 0.4830(5) 0.4383(6) 0.052(2) Uani 1 1 d . . .
H12A H 0.5661 0.5093 0.4108 0.062 Uiso 1 1 calc R . .
C13 C 0.6550(5) 0.4374(5) 0.4060(6) 0.048(2) Uani 1 1 d . . .
H13A H 0.6395 0.4276 0.3507 0.058 Uiso 1 1 calc R . .
C14 C 0.7179(6) 0.4047(4) 0.4629(5) 0.045(2) Uani 1 1 d . . .
H14A H 0.7533 0.3674 0.4554 0.054 Uiso 1 1 calc R . .
C15 C 0.7172(6) 0.4302(5) 0.5332(5) 0.048(2) Uani 1 1 d . . .
H15A H 0.7511 0.4128 0.5841 0.058 Uiso 1 1 calc R . .
C21 C 0.6570(6) 0.6048(5) 0.2753(5) 0.051(2) Uani 1 1 d . . .
H21A H 0.6123 0.6001 0.2943 0.062 Uiso 1 1 calc R . .
C22 C 0.7132(6) 0.6604(5) 0.2932(5) 0.050(2) Uani 1 1 d . . .
H22A H 0.7146 0.7020 0.3261 0.060 Uiso 1 1 calc R . .
C23 C 0.7617(6) 0.6490(4) 0.2501(5) 0.046(2) Uani 1 1 d . . .
H23A H 0.8032 0.6820 0.2463 0.055 Uiso 1 1 calc R . .
C24 C 0.7354(6) 0.5873(5) 0.2063(5) 0.046(2) Uani 1 1 d . . .
H24A H 0.7546 0.5695 0.1660 0.056 Uiso 1 1 calc R . .
C25 C 0.6722(4) 0.5604(5) 0.2236(5) 0.044(2) Uani 1 1 d . . .
H25A H 0.6391 0.5192 0.1982 0.053 Uiso 1 1 calc R . .
N1 N 0.9698(4) 0.3707(3) 0.3669(3) 0.0321(13) Uani 1 1 d . . .
N2 N 0.9636(4) 0.1583(3) 0.0545(3) 0.0319(13) Uani 1 1 d . . .
C31 C 1.0104(5) 0.3884(4) 0.3224(5) 0.0393(18) Uani 1 1 d . . .
H31A H 1.0417 0.4299 0.3345 0.047 Uiso 1 1 calc R . .
C32 C 1.0097(5) 0.3498(4) 0.2598(5) 0.0403(19) Uani 1 1 d . . .
H32A H 1.0402 0.3642 0.2305 0.048 Uiso 1 1 calc R . .
C33 C 0.9632(5) 0.2897(4) 0.2410(4) 0.0310(15) Uani 1 1 d . . .
C34 C 0.9188(5) 0.2726(4) 0.2849(4) 0.0344(17) Uani 1 1 d . . .
H34A H 0.8850 0.2327 0.2728 0.041 Uiso 1 1 calc R . .
C35 C 0.9242(5) 0.3144(4) 0.3472(4) 0.0332(16) Uani 1 1 d . . .
H35A H 0.8935 0.3017 0.3770 0.040 Uiso 1 1 calc R . .
C36 C 0.9295(5) 0.1382(4) 0.1034(4) 0.0337(16) Uani 1 1 d . . .
H36A H 0.9048 0.0933 0.0962 0.040 Uiso 1 1 calc R . .
C37 C 0.9279(5) 0.1783(4) 0.1637(5) 0.0374(18) Uani 1 1 d . . .
H37A H 0.9035 0.1606 0.1971 0.045 Uiso 1 1 calc R . .
C38 C 0.9626(4) 0.2456(4) 0.1754(4) 0.0289(14) Uani 1 1 d . . .
C39 C 0.9974(6) 0.2666(4) 0.1242(5) 0.047(2) Uani 1 1 d . . .
H39A H 1.0227 0.3111 0.1299 0.056 Uiso 1 1 calc R . .
C40 C 0.9954(6) 0.2230(4) 0.0650(5) 0.044(2) Uani 1 1 d . . .
H40A H 1.0177 0.2399 0.0297 0.053 Uiso 1 1 calc R . .
Al1 Al 0.69728(12) 0.06598(10) 0.38120(11) 0.0244(4) Uani 1 1 d . . .
O11 O 0.7825(3) 0.0275(3) 0.3785(3) 0.0343(11) Uani 1 1 d . . .
O12 O 0.7125(3) 0.1182(3) 0.4596(3) 0.0328(11) Uani 1 1 d . . .
O13 O 0.6619(3) 0.1202(2) 0.3029(3) 0.0271(10) Uani 1 1 d . . .
O14 O 0.6347(3) -0.0014(3) 0.3840(3) 0.0330(11) Uani 1 1 d . . .
C111 C 0.8455(5) 0.0347(4) 0.3584(4) 0.0354(16) Uani 1 1 d . . .
C112 C 0.8960(6) -0.0333(5) 0.3838(6) 0.051(2) Uani 1 1 d . . .
C113 C 0.8961(6) 0.0994(5) 0.3977(5) 0.045(2) Uani 1 1 d . . .
C114 C 0.8201(6) 0.0437(5) 0.2702(5) 0.047(2) Uani 1 1 d . . .
C121 C 0.7261(5) 0.1232(4) 0.5334(4) 0.0319(15) Uani 1 1 d . . .
C122 C 0.7989(6) 0.0810(4) 0.5806(5) 0.0423(19) Uani 1 1 d . . .
C123 C 0.6534(5) 0.0977(5) 0.5527(5) 0.046(2) Uani 1 1 d . . .
C124 C 0.7407(5) 0.2026(5) 0.5553(4) 0.0394(18) Uani 1 1 d . . .
C131 C 0.6163(4) 0.1753(3) 0.2709(4) 0.0270(14) Uani 1 1 d . . .
C132 C 0.5514(5) 0.1875(4) 0.3049(5) 0.0356(16) Uani 1 1 d . . .
C133 C 0.5777(5) 0.1591(4) 0.1853(4) 0.0355(17) Uani 1 1 d . . .
C134 C 0.6666(5) 0.2432(4) 0.2804(4) 0.0329(16) Uani 1 1 d . . .
C141 C 0.6021(4) -0.0649(4) 0.3573(5) 0.0356(17) Uani 1 1 d . . .
C142 C 0.5526(6) -0.0607(4) 0.2723(6) 0.049(2) Uani 1 1 d . . .
C143 C 0.5487(7) -0.0868(5) 0.4015(7) 0.063(3) Uani 1 1 d . . .
C144 C 0.6663(7) -0.1210(5) 0.3683(8) 0.066(3) Uani 1 1 d . . .
F11F F 0.8497(3) 0.1552(3) 0.3931(3) 0.0542(13) Uani 1 1 d . . .
F11H F 0.8016(3) 0.1103(3) 0.2502(3) 0.0503(12) Uani 1 1 d . . .
F11I F 0.8811(4) 0.0270(3) 0.2464(3) 0.0602(15) Uani 1 1 d . . .
F11G F 0.7612(3) 0.0034(3) 0.2350(3) 0.0556(14) Uani 1 1 d . . .
F11E F 0.9333(4) 0.0877(4) 0.4703(3) 0.0658(16) Uani 1 1 d . . .
F11C F 0.9687(4) -0.0258(3) 0.3830(4) 0.0690(17) Uani 1 1 d . . .
F11B F 0.8629(4) -0.0864(3) 0.3363(4) 0.0680(18) Uani 1 1 d . . .
F11D F 0.9496(3) 0.1177(3) 0.3675(4) 0.0618(15) Uani 1 1 d . . .
F11A F 0.9011(4) -0.0523(4) 0.4517(4) 0.0703(18) Uani 1 1 d . . .
F12G F 0.7876(3) 0.2315(2) 0.5230(3) 0.0466(12) Uani 1 1 d . . .
F12I F 0.7741(3) 0.2129(3) 0.6298(3) 0.0528(13) Uani 1 1 d . . .
F12C F 0.8652(3) 0.1118(3) 0.5818(3) 0.0508(12) Uani 1 1 d . . .
F12F F 0.5875(3) 0.1197(3) 0.5019(3) 0.0578(14) Uani 1 1 d . . .
F12B F 0.7972(4) 0.0169(3) 0.5509(3) 0.0557(14) Uani 1 1 d . . .
F12D F 0.6517(4) 0.0273(3) 0.5551(3) 0.0617(15) Uani 1 1 d . . .
F12A F 0.8051(4) 0.0713(3) 0.6532(3) 0.0573(14) Uani 1 1 d . . .
F12E F 0.6553(4) 0.1210(4) 0.6205(3) 0.0651(16) Uani 1 1 d . . .
F12H F 0.6728(3) 0.2389(3) 0.5320(3) 0.0575(14) Uani 1 1 d . . .
F13C F 0.5781(3) 0.2255(3) 0.3694(3) 0.0453(11) Uani 1 1 d . . .
F13B F 0.4886(3) 0.2235(2) 0.2572(3) 0.0457(11) Uani 1 1 d . . .
F13A F 0.5247(3) 0.1276(2) 0.3216(3) 0.0430(11) Uani 1 1 d . . .
F13F F 0.5182(3) 0.1125(2) 0.1740(3) 0.0475(12) Uani 1 1 d . . .
F13H F 0.7110(3) 0.2409(2) 0.2375(3) 0.0480(12) Uani 1 1 d . . .
F13I F 0.7157(3) 0.2494(2) 0.3522(3) 0.0416(10) Uani 1 1 d . . .
F13G F 0.6231(3) 0.3018(2) 0.2632(3) 0.0432(11) Uani 1 1 d . . .
F13E F 0.5467(3) 0.2162(3) 0.1438(3) 0.0515(13) Uani 1 1 d . . .
F13D F 0.6278(3) 0.1308(3) 0.1578(3) 0.0473(12) Uani 1 1 d . . .
F14G F 0.5005(4) -0.1389(3) 0.3687(4) 0.077(2) Uani 1 1 d . . .
F14I F 0.5048(4) -0.0320(3) 0.4080(4) 0.0681(18) Uani 1 1 d . . .
F14C F 0.5926(4) -0.0263(3) 0.2356(3) 0.0647(16) Uani 1 1 d . . .
F14B F 0.5331(4) -0.1234(3) 0.2401(4) 0.0678(17) Uani 1 1 d . . .
F14F F 0.6993(4) -0.1166(3) 0.3150(5) 0.083(2) Uani 1 1 d . . .
F14A F 0.4865(4) -0.0243(3) 0.2617(4) 0.0697(16) Uani 1 1 d . . .
F14H F 0.5932(5) -0.1063(4) 0.4722(4) 0.089(2) Uani 1 1 d . . .
F14E F 0.7243(4) -0.1127(3) 0.4347(5) 0.087(2) Uani 1 1 d . . .
F14D F 0.6389(4) -0.1869(3) 0.3648(5) 0.084(2) Uani 1 1 d . . .
C1S C 0.8442(12) -0.1555(10) 0.5780(10) 0.049(4) Uani 0.50 1 d P . .
H1SA H 0.8534 -0.1174 0.5462 0.059 Uiso 0.50 1 calc PR . .
H1SB H 0.7887 -0.1522 0.5749 0.059 Uiso 0.50 1 calc PR . .
Cl11 Cl 0.8582(3) -0.2369(2) 0.5406(3) 0.0617(13) Uani 0.50 1 d P . .
Cl12 Cl 0.9035(2) -0.1418(3) 0.6691(2) 0.0505(10) Uani 0.50 1 d P . .
C2S C 0.5508(8) 0.7252(7) 0.5402(7) 0.046(3) Uani 0.70 1 d P . .
H2SA H 0.5041 0.7513 0.5360 0.055 Uiso 0.70 1 d P . .
H2SB H 0.5628 0.7359 0.4953 0.055 Uiso 0.70 1 d P . .
Cl21 Cl 0.5263(6) 0.6334(4) 0.5359(5) 0.051(2) Uani 0.40 1 d P A 1
Cl23 Cl 0.5088(7) 0.6475(6) 0.5374(7) 0.043(3) Uiso 0.30 1 d P A 1
Cl22 Cl 0.6525(13) 0.7097(12) 0.6186(12) 0.063(5) Uiso 0.15 1 d P A 2
Cl24 Cl 0.6485(10) 0.7387(10) 0.6040(9) 0.060(4) Uiso 0.20 1 d P A 2
Cl25 Cl 0.6216(5) 0.7545(5) 0.6149(4) 0.062(2) Uani 0.35 1 d 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
Ag1 N1 2.301(6) . ?
Ag1 N2 2.344(6) 4_566 ?
Ag1 P1 2.592(2) . ?
Ag1 P1 2.715(2) 3_766 ?
Ag1 Ag1 2.8298(9) 3_766 ?
Ag1 P2 2.837(2) 3_766 ?
Mo1 C1 1.989(10) . ?
Mo1 C2 2.006(9) . ?
Mo1 C11 2.293(8) . ?
Mo1 C15 2.305(8) . ?
Mo1 C12 2.323(9) . ?
Mo1 C14 2.358(8) . ?
Mo1 C13 2.362(9) . ?
Mo1 P1 2.459(2) . ?
Mo1 P2 2.550(2) . ?
Mo1 Mo2 3.0349(9) . ?
Mo2 C4 1.982(8) . ?
Mo2 C3 1.997(9) . ?
Mo2 C24 2.287(9) . ?
Mo2 C25 2.293(8) . ?
Mo2 C23 2.293(8) . ?
Mo2 C22 2.337(8) . ?
Mo2 C21 2.342(9) . ?
Mo2 P2 2.462(2) . ?
Mo2 P1 2.524(2) . ?
P1 P2 2.123(3) . ?
P1 Ag1 2.715(2) 3_766 ?
P2 Ag1 2.837(2) 3_766 ?
C1 O1 1.154(12) . ?
C2 O2 1.130(10) . ?
C3 O3 1.142(11) . ?
C4 O4 1.138(10) . ?
C11 C12 1.426(14) . ?
C11 C15 1.438(14) . ?
C11 H11A 1.0000 . ?
C12 C13 1.393(14) . ?
C12 H12A 1.0000 . ?
C13 C14 1.410(13) . ?
C13 H13A 1.0000 . ?
C14 C15 1.416(13) . ?
C14 H14A 1.0000 . ?
C15 H15A 1.0000 . ?
C21 C25 1.388(13) . ?
C21 C22 1.422(15) . ?
C21 H21A 1.0000 . ?
C22 C23 1.409(13) . ?
C22 H22A 1.0000 . ?
C23 C24 1.416(13) . ?
C23 H23A 1.0000 . ?
C24 C25 1.395(13) . ?
C24 H24A 1.0000 . ?
C25 H25A 1.0000 . ?
N1 C35 1.323(9) . ?
N1 C31 1.341(10) . ?
N2 C36 1.335(9) . ?
N2 C40 1.341(10) . ?
N2 Ag1 2.344(6) 4_565 ?
C31 C32 1.388(11) . ?
C31 H31A 0.9500 . ?
C32 C33 1.389(11) . ?
C32 H32A 0.9500 . ?
C33 C34 1.382(10) . ?
C33 C38 1.491(10) . ?
C34 C35 1.394(10) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 C37 1.379(10) . ?
C36 H36A 0.9500 . ?
C37 C38 1.407(10) . ?
C37 H37A 0.9500 . ?
C38 C39 1.384(11) . ?
C39 C40 1.381(11) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
Al1 O12 1.723(5) . ?
Al1 O14 1.723(5) . ?
Al1 O11 1.727(5) . ?
Al1 O13 1.731(5) . ?
O11 C111 1.333(9) . ?
O12 C121 1.332(9) . ?
O13 C131 1.340(8) . ?
O14 C141 1.359(9) . ?
C111 C113 1.556(12) . ?
C111 C112 1.558(11) . ?
C111 C114 1.576(12) . ?
C112 F11A 1.304(11) . ?
C112 F11C 1.332(11) . ?
C112 F11B 1.343(13) . ?
C113 F11E 1.318(11) . ?
C113 F11D 1.332(10) . ?
C113 F11F 1.337(10) . ?
C114 F11G 1.294(11) . ?
C114 F11H 1.328(11) . ?
C114 F11I 1.369(9) . ?
C121 C122 1.537(12) . ?
C121 C124 1.559(11) . ?
C121 C123 1.563(11) . ?
C122 F12C 1.332(10) . ?
C122 F12B 1.334(10) . ?
C122 F12A 1.347(10) . ?
C123 F12F 1.313(11) . ?
C123 F12D 1.338(11) . ?
C123 F12E 1.344(10) . ?
C124 F12G 1.327(10) . ?
C124 F12I 1.340(9) . ?
C124 F12H 1.345(10) . ?
C131 C132 1.544(10) . ?
C131 C133 1.552(10) . ?
C131 C134 1.552(10) . ?
C132 F13A 1.317(9) . ?
C132 F13C 1.352(9) . ?
C132 F13B 1.365(9) . ?
C133 F13D 1.308(9) . ?
C133 F13E 1.339(9) . ?
C133 F13F 1.354(10) . ?
C134 F13H 1.327(9) . ?
C134 F13G 1.335(8) . ?
C134 F13I 1.344(9) . ?
C141 C144 1.538(13) . ?
C141 C143 1.541(12) . ?
C141 C142 1.544(13) . ?
C142 F14B 1.326(10) . ?
C142 F14C 1.337(11) . ?
C142 F14A 1.338(12) . ?
C143 F14G 1.321(11) . ?
C143 F14I 1.342(13) . ?
C143 F14H 1.350(15) . ?
C144 F14E 1.337(14) . ?
C144 F14D 1.338(11) . ?
C144 F14F 1.342(14) . ?
C1S Cl12 1.702(18) . ?
C1S Cl11 1.753(18) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S Cl25 1.638(15) . ?
C2S Cl23 1.651(18) . ?
C2S Cl24 1.78(2) . ?
C2S Cl21 1.790(15) . ?
C2S Cl22 1.94(3) . ?
C2S H2SA 0.9623 . ?
C2S H2SB 0.9680 . ?
Cl22 Cl24 0.61(2) . ?
Cl22 Cl25 1.01(2) . ?
Cl24 Cl25 0.662(16) . ?

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 Ag1 N2 102.6(2) . 4_566 ?
N1 Ag1 P1 101.71(17) . . ?
N2 Ag1 P1 96.06(17) 4_566 . ?
N1 Ag1 P1 120.48(16) . 3_766 ?
N2 Ag1 P1 116.59(17) 4_566 3_766 ?
P1 Ag1 P1 115.61(5) . 3_766 ?
N1 Ag1 Ag1 132.26(16) . 3_766 ?
N2 Ag1 Ag1 121.74(15) 4_566 3_766 ?
P1 Ag1 Ag1 59.91(5) . 3_766 ?
P1 Ag1 Ag1 55.70(4) 3_766 3_766 ?
N1 Ag1 P2 96.97(17) . 3_766 ?
N2 Ag1 P2 89.19(17) 4_566 3_766 ?
P1 Ag1 P2 158.95(6) . 3_766 ?
P1 Ag1 P2 44.90(6) 3_766 3_766 ?
Ag1 Ag1 P2 100.10(5) 3_766 3_766 ?
C1 Mo1 C2 83.9(4) . . ?
C1 Mo1 C11 84.4(4) . . ?
C2 Mo1 C11 94.7(4) . . ?
C1 Mo1 C15 85.2(4) . . ?
C2 Mo1 C15 130.8(3) . . ?
C11 Mo1 C15 36.4(3) . . ?
C1 Mo1 C12 117.0(4) . . ?
C2 Mo1 C12 83.5(4) . . ?
C11 Mo1 C12 36.0(4) . . ?
C15 Mo1 C12 59.7(3) . . ?
C1 Mo1 C14 117.6(3) . . ?
C2 Mo1 C14 141.6(4) . . ?
C11 Mo1 C14 59.5(3) . . ?
C15 Mo1 C14 35.3(3) . . ?
C12 Mo1 C14 58.7(3) . . ?
C1 Mo1 C13 141.1(3) . . ?
C2 Mo1 C13 108.7(4) . . ?
C11 Mo1 C13 58.5(4) . . ?
C15 Mo1 C13 58.3(3) . . ?
C12 Mo1 C13 34.6(3) . . ?
C14 Mo1 C13 34.8(3) . . ?
C1 Mo1 P1 96.0(3) . . ?
C2 Mo1 P1 123.3(2) . . ?
C11 Mo1 P1 141.9(3) . . ?
C15 Mo1 P1 105.5(2) . . ?
C12 Mo1 P1 140.4(3) . . ?
C14 Mo1 P1 87.6(2) . . ?
C13 Mo1 P1 105.9(2) . . ?
C1 Mo1 P2 78.0(3) . . ?
C2 Mo1 P2 75.1(3) . . ?
C11 Mo1 P2 160.4(3) . . ?
C15 Mo1 P2 147.6(2) . . ?
C12 Mo1 P2 152.6(2) . . ?
C14 Mo1 P2 137.4(2) . . ?
C13 Mo1 P2 140.3(2) . . ?
P1 Mo1 P2 50.11(6) . . ?
C1 Mo1 Mo2 129.4(2) . . ?
C2 Mo1 Mo2 83.6(2) . . ?
C11 Mo1 Mo2 145.4(3) . . ?
C15 Mo1 Mo2 136.9(2) . . ?
C12 Mo1 Mo2 109.9(2) . . ?
C14 Mo1 Mo2 101.9(2) . . ?
C13 Mo1 Mo2 89.2(2) . . ?
P1 Mo1 Mo2 53.45(5) . . ?
P2 Mo1 Mo2 51.41(5) . . ?
C4 Mo2 C3 85.8(3) . . ?
C4 Mo2 C24 84.7(3) . . ?
C3 Mo2 C24 97.4(3) . . ?
C4 Mo2 C25 116.6(3) . . ?
C3 Mo2 C25 84.7(3) . . ?
C24 Mo2 C25 35.5(3) . . ?
C4 Mo2 C23 85.3(3) . . ?
C3 Mo2 C23 133.2(3) . . ?
C24 Mo2 C23 36.0(3) . . ?
C25 Mo2 C23 59.3(3) . . ?
C4 Mo2 C22 117.6(3) . . ?
C3 Mo2 C22 142.4(4) . . ?
C24 Mo2 C22 59.4(3) . . ?
C25 Mo2 C22 59.0(3) . . ?
C23 Mo2 C22 35.4(3) . . ?
C4 Mo2 C21 141.5(3) . . ?
C3 Mo2 C21 108.2(4) . . ?
C24 Mo2 C21 58.6(3) . . ?
C25 Mo2 C21 34.8(3) . . ?
C23 Mo2 C21 58.7(4) . . ?
C22 Mo2 C21 35.4(4) . . ?
C4 Mo2 P2 91.7(3) . . ?
C3 Mo2 P2 124.3(3) . . ?
C24 Mo2 P2 137.8(2) . . ?
C25 Mo2 P2 142.0(2) . . ?
C23 Mo2 P2 101.8(2) . . ?
C22 Mo2 P2 86.2(2) . . ?
C21 Mo2 P2 107.5(2) . . ?
C4 Mo2 P1 77.8(3) . . ?
C3 Mo2 P1 74.9(3) . . ?
C24 Mo2 P1 161.2(2) . . ?
C25 Mo2 P1 154.4(2) . . ?
C23 Mo2 P1 146.1(3) . . ?
C22 Mo2 P1 135.6(2) . . ?
C21 Mo2 P1 139.9(2) . . ?
P2 Mo2 P1 50.39(7) . . ?
C4 Mo2 Mo1 129.0(2) . . ?
C3 Mo2 Mo1 85.8(2) . . ?
C24 Mo2 Mo1 146.3(2) . . ?
C25 Mo2 Mo1 112.5(2) . . ?
C23 Mo2 Mo1 133.2(2) . . ?
C22 Mo2 Mo1 98.5(2) . . ?
C21 Mo2 Mo1 88.5(2) . . ?
P2 Mo2 Mo1 54.08(5) . . ?
P1 Mo2 Mo1 51.51(5) . . ?
P2 P1 Mo1 67.18(8) . . ?
P2 P1 Mo2 63.29(8) . . ?
Mo1 P1 Mo2 75.04(6) . . ?
P2 P1 Ag1 133.97(11) . . ?
Mo1 P1 Ag1 152.12(8) . . ?
Mo2 P1 Ag1 127.83(8) . . ?
P2 P1 Ag1 70.59(8) . 3_766 ?
Mo1 P1 Ag1 125.99(8) . 3_766 ?
Mo2 P1 Ag1 113.32(7) . 3_766 ?
Ag1 P1 Ag1 64.39(5) . 3_766 ?
P1 P2 Mo2 66.32(8) . . ?
P1 P2 Mo1 62.70(7) . . ?
Mo2 P2 Mo1 74.51(6) . . ?
P1 P2 Ag1 64.52(8) . 3_766 ?
Mo2 P2 Ag1 111.24(8) . 3_766 ?
Mo1 P2 Ag1 117.64(7) . 3_766 ?
O1 C1 Mo1 174.4(8) . . ?
O2 C2 Mo1 175.7(7) . . ?
O3 C3 Mo2 175.4(8) . . ?
O4 C4 Mo2 178.4(8) . . ?
C12 C11 C15 107.2(9) . . ?
C12 C11 Mo1 73.1(5) . . ?
C15 C11 Mo1 72.2(5) . . ?
C12 C11 H11A 126.2 . . ?
C15 C11 H11A 126.2 . . ?
Mo1 C11 H11A 126.2 . . ?
C13 C12 C11 107.7(9) . . ?
C13 C12 Mo1 74.3(5) . . ?
C11 C12 Mo1 70.9(5) . . ?
C13 C12 H12A 126.0 . . ?
C11 C12 H12A 126.0 . . ?
Mo1 C12 H12A 126.0 . . ?
C12 C13 C14 109.9(9) . . ?
C12 C13 Mo1 71.2(5) . . ?
C14 C13 Mo1 72.5(5) . . ?
C12 C13 H13A 125.0 . . ?
C14 C13 H13A 125.0 . . ?
Mo1 C13 H13A 125.0 . . ?
C13 C14 C15 107.2(8) . . ?
C13 C14 Mo1 72.8(5) . . ?
C15 C14 Mo1 70.3(5) . . ?
C13 C14 H14A 126.3 . . ?
C15 C14 H14A 126.3 . . ?
Mo1 C14 H14A 126.3 . . ?
C14 C15 C11 107.9(8) . . ?
C14 C15 Mo1 74.4(4) . . ?
C11 C15 Mo1 71.3(5) . . ?
C14 C15 H15A 125.8 . . ?
C11 C15 H15A 125.8 . . ?
Mo1 C15 H15A 125.8 . . ?
C25 C21 C22 108.4(8) . . ?
C25 C21 Mo2 70.7(5) . . ?
C22 C21 Mo2 72.1(5) . . ?
C25 C21 H21A 125.7 . . ?
C22 C21 H21A 125.7 . . ?
Mo2 C21 H21A 125.7 . . ?
C23 C22 C21 106.8(8) . . ?
C23 C22 Mo2 70.6(5) . . ?
C21 C22 Mo2 72.5(5) . . ?
C23 C22 H22A 126.5 . . ?
C21 C22 H22A 126.5 . . ?
Mo2 C22 H22A 126.5 . . ?
C22 C23 C24 108.3(8) . . ?
C22 C23 Mo2 74.0(5) . . ?
C24 C23 Mo2 71.8(5) . . ?
C22 C23 H23A 125.7 . . ?
C24 C23 H23A 125.7 . . ?
Mo2 C23 H23A 125.7 . . ?
C25 C24 C23 107.6(8) . . ?
C25 C24 Mo2 72.5(5) . . ?
C23 C24 Mo2 72.2(5) . . ?
C25 C24 H24A 126.0 . . ?
C23 C24 H24A 126.0 . . ?
Mo2 C24 H24A 126.0 . . ?
C21 C25 C24 108.9(8) . . ?
C21 C25 Mo2 74.5(5) . . ?
C24 C25 Mo2 72.0(5) . . ?
C21 C25 H25A 125.3 . . ?
C24 C25 H25A 125.3 . . ?
Mo2 C25 H25A 125.3 . . ?
C35 N1 C31 116.9(6) . . ?
C35 N1 Ag1 122.9(5) . . ?
C31 N1 Ag1 119.6(5) . . ?
C36 N2 C40 115.9(6) . . ?
C36 N2 Ag1 118.8(5) . 4_565 ?
C40 N2 Ag1 123.0(5) . 4_565 ?
N1 C31 C32 124.0(7) . . ?
N1 C31 H31A 118.0 . . ?
C32 C31 H31A 118.0 . . ?
C31 C32 C33 118.4(7) . . ?
C31 C32 H32A 120.8 . . ?
C33 C32 H32A 120.8 . . ?
C34 C33 C32 117.9(7) . . ?
C34 C33 C38 122.0(6) . . ?
C32 C33 C38 120.0(6) . . ?
C33 C34 C35 119.3(7) . . ?
C33 C34 H34A 120.3 . . ?
C35 C34 H34A 120.3 . . ?
N1 C35 C34 123.3(7) . . ?
N1 C35 H35A 118.3 . . ?
C34 C35 H35A 118.3 . . ?
N2 C36 C37 124.3(7) . . ?
N2 C36 H36A 117.8 . . ?
C37 C36 H36A 117.8 . . ?
C36 C37 C38 119.5(7) . . ?
C36 C37 H37A 120.2 . . ?
C38 C37 H37A 120.2 . . ?
C39 C38 C37 116.0(7) . . ?
C39 C38 C33 123.1(6) . . ?
C37 C38 C33 120.8(6) . . ?
C40 C39 C38 120.3(7) . . ?
C40 C39 H39A 119.8 . . ?
C38 C39 H39A 119.8 . . ?
N2 C40 C39 123.8(7) . . ?
N2 C40 H40A 118.1 . . ?
C39 C40 H40A 118.1 . . ?
O12 Al1 O14 108.0(3) . . ?
O12 Al1 O11 113.1(3) . . ?
O14 Al1 O11 107.2(3) . . ?
O12 Al1 O13 107.1(2) . . ?
O14 Al1 O13 114.5(3) . . ?
O11 Al1 O13 107.1(2) . . ?
C111 O11 Al1 146.3(5) . . ?
C121 O12 Al1 149.0(5) . . ?
C131 O13 Al1 146.7(4) . . ?
C141 O14 Al1 148.4(5) . . ?
O11 C111 C113 111.6(6) . . ?
O11 C111 C112 107.4(6) . . ?
C113 C111 C112 108.7(7) . . ?
O11 C111 C114 110.4(7) . . ?
C113 C111 C114 109.0(7) . . ?
C112 C111 C114 109.8(7) . . ?
F11A C112 F11C 108.0(8) . . ?
F11A C112 F11B 108.1(8) . . ?
F11C C112 F11B 106.6(8) . . ?
F11A C112 C111 111.4(7) . . ?
F11C C112 C111 112.7(7) . . ?
F11B C112 C111 109.7(8) . . ?
F11E C113 F11D 107.7(8) . . ?
F11E C113 F11F 106.4(7) . . ?
F11D C113 F11F 107.6(7) . . ?
F11E C113 C111 111.5(7) . . ?
F11D C113 C111 113.5(7) . . ?
F11F C113 C111 109.8(7) . . ?
F11G C114 F11H 109.4(8) . . ?
F11G C114 F11I 108.3(7) . . ?
F11H C114 F11I 106.2(7) . . ?
F11G C114 C111 111.4(7) . . ?
F11H C114 C111 110.9(7) . . ?
F11I C114 C111 110.6(8) . . ?
O12 C121 C122 112.2(6) . . ?
O12 C121 C124 107.3(6) . . ?
C122 C121 C124 108.5(7) . . ?
O12 C121 C123 111.0(7) . . ?
C122 C121 C123 109.2(6) . . ?
C124 C121 C123 108.5(6) . . ?
F12C C122 F12B 107.1(7) . . ?
F12C C122 F12A 106.8(7) . . ?
F12B C122 F12A 106.6(7) . . ?
F12C C122 C121 111.7(7) . . ?
F12B C122 C121 110.0(7) . . ?
F12A C122 C121 114.2(7) . . ?
F12F C123 F12D 108.4(8) . . ?
F12F C123 F12E 107.9(8) . . ?
F12D C123 F12E 106.8(7) . . ?
F12F C123 C121 111.0(7) . . ?
F12D C123 C121 110.4(7) . . ?
F12E C123 C121 112.1(7) . . ?
F12G C124 F12I 107.2(7) . . ?
F12G C124 F12H 107.5(7) . . ?
F12I C124 F12H 107.2(6) . . ?
F12G C124 C121 110.8(6) . . ?
F12I C124 C121 113.0(7) . . ?
F12H C124 C121 110.8(7) . . ?
O13 C131 C132 111.7(6) . . ?
O13 C131 C133 107.4(5) . . ?
C132 C131 C133 109.3(6) . . ?
O13 C131 C134 110.5(6) . . ?
C132 C131 C134 109.3(6) . . ?
C133 C131 C134 108.6(6) . . ?
F13A C132 F13C 106.9(6) . . ?
F13A C132 F13B 107.3(6) . . ?
F13C C132 F13B 106.4(6) . . ?
F13A C132 C131 111.6(6) . . ?
F13C C132 C131 111.7(6) . . ?
F13B C132 C131 112.6(6) . . ?
F13D C133 F13E 107.9(6) . . ?
F13D C133 F13F 107.3(6) . . ?
F13E C133 F13F 106.6(7) . . ?
F13D C133 C131 111.8(6) . . ?
F13E C133 C131 113.2(6) . . ?
F13F C133 C131 109.8(6) . . ?
F13H C134 F13G 108.2(6) . . ?
F13H C134 F13I 106.8(6) . . ?
F13G C134 F13I 107.5(6) . . ?
F13H C134 C131 111.1(6) . . ?
F13G C134 C131 112.8(6) . . ?
F13I C134 C131 110.2(6) . . ?
O14 C141 C144 110.7(7) . . ?
O14 C141 C143 108.2(7) . . ?
C144 C141 C143 109.3(8) . . ?
O14 C141 C142 111.2(6) . . ?
C144 C141 C142 108.4(8) . . ?
C143 C141 C142 109.2(8) . . ?
F14B C142 F14C 107.8(8) . . ?
F14B C142 F14A 108.1(8) . . ?
F14C C142 F14A 106.9(8) . . ?
F14B C142 C141 113.3(7) . . ?
F14C C142 C141 109.9(7) . . ?
F14A C142 C141 110.5(8) . . ?
F14G C143 F14I 107.7(10) . . ?
F14G C143 F14H 109.2(8) . . ?
F14I C143 F14H 106.9(9) . . ?
F14G C143 C141 112.8(9) . . ?
F14I C143 C141 110.3(8) . . ?
F14H C143 C141 109.8(9) . . ?
F14E C144 F14D 108.3(9) . . ?
F14E C144 F14F 106.6(10) . . ?
F14D C144 F14F 106.1(9) . . ?
F14E C144 C141 110.9(9) . . ?
F14D C144 C141 112.9(9) . . ?
F14F C144 C141 111.8(9) . . ?
Cl12 C1S Cl11 114.3(11) . . ?
Cl12 C1S H1SA 108.7 . . ?
Cl11 C1S H1SA 108.7 . . ?
Cl12 C1S H1SB 108.7 . . ?
Cl11 C1S H1SB 108.7 . . ?
H1SA C1S H1SB 107.6 . . ?
Cl25 C2S Cl23 123.1(10) . . ?
Cl25 C2S Cl24 21.8(5) . . ?
Cl23 C2S Cl24 119.4(11) . . ?
Cl25 C2S Cl21 118.5(9) . . ?
Cl23 C2S Cl21 13.4(5) . . ?
Cl24 C2S Cl21 110.1(10) . . ?
Cl25 C2S Cl22 31.2(7) . . ?
Cl23 C2S Cl22 101.3(11) . . ?
Cl24 C2S Cl22 18.1(7) . . ?
Cl21 C2S Cl22 92.5(10) . . ?
Cl25 C2S H2SA 107.4 . . ?
Cl23 C2S H2SA 94.2 . . ?
Cl24 C2S H2SA 128.5 . . ?
Cl21 C2S H2SA 107.4 . . ?
Cl22 C2S H2SA 135.8 . . ?
Cl25 C2S H2SB 109.6 . . ?
Cl23 C2S H2SB 113.7 . . ?
Cl24 C2S H2SB 95.1 . . ?
Cl21 C2S H2SB 107.0 . . ?
Cl22 C2S H2SB 104.8 . . ?
H2SA C2S H2SB 106.3 . . ?
Cl24 Cl22 Cl25 39(2) . . ?
Cl24 Cl22 C2S 66(3) . . ?
Cl25 Cl22 C2S 57.4(11) . . ?
Cl22 Cl24 Cl25 105(3) . . ?
Cl22 Cl24 C2S 96(3) . . ?
Cl25 Cl24 C2S 67.0(17) . . ?
Cl24 Cl25 Cl22 35.7(18) . . ?
Cl24 Cl25 C2S 91.2(18) . . ?
Cl22 Cl25 C2S 91.4(13) . . ?

_diffrn_measured_fraction_theta_max 0.940
_diffrn_reflns_theta_full        67.50
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         1.111
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.139
####################################################################### 
# 
# 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_177
_database_code_depnum_ccdc_archive 'CCDC 1864892'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-11-06 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT201_177                 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         22 Report
RESPONSE: these light atoms are disordered and have occupancies less than 0.5
;
_vrf_PLAT308_177                 
;
PROBLEM: Single Bonded Metal Atom (Unusual !) ...........  
RESPONSE: The disordered Cp2Mo2P2(CO)4 complex is disordered over 3 
          positions. The PART instructuions are used for clarity.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_structural     
'Ag2[((C5H5)2 Mo2 P2 (CO)4)4 (C26 H16 N2)](Al(O C4 F9)4)2 * 1.5(C H2 Cl2)'
_chemical_formula_sum            'C115.50 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8'
_chemical_formula_weight         4617.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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                   15.4197(5)
_cell_length_b                   15.8109(5)
_cell_length_c                   17.5800(6)
_cell_angle_alpha                107.136(3)
_cell_angle_beta                 92.394(3)
_cell_angle_gamma                90.977(2)
_cell_volume                     4090.2(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    12693
_cell_measurement_theta_min      4.0050
_cell_measurement_theta_max      73.8740

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_F_000             2233
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.279
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    9.323
_exptl_absorpt_correction_T_min  0.232
_exptl_absorpt_correction_T_max  0.594
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.37b (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.701
_oxdiff_exptl_absorpt_empirical_full_max 1.769
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_ambient_environment      N~2~
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.3546
_diffrn_reflns_number            30686
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.800
_diffrn_reflns_theta_max         74.220
_diffrn_reflns_theta_full        67.500
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16168
_reflns_number_gt                12199
_reflns_threshold_expression     'I > 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 1.171.38.37b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1625P)²+6.1672P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16168
_refine_ls_number_parameters     1146
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0764
_refine_ls_wR_factor_ref         0.2417
_refine_ls_wR_factor_gt          0.2287
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.083
_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
Ag1 Ag 0.39361(3) 1.02935(4) 0.09743(3) 0.04785(17) Uani 1 1 d . . . . .
Mo1 Mo 0.1236(4) 1.1703(4) 0.1210(3) 0.0516(10) Uani 0.5 1 d . . P A 1
P1 P 0.2754(7) 1.1194(6) 0.1270(5) 0.0415(16) Uani 0.5 1 d . . P A 1
Mo2 Mo 0.2215(3) 1.2060(3) 0.2646(3) 0.0451(8) Uani 0.4 1 d . . P A 1
P2 P 0.1853(12) 1.0646(14) 0.1880(9) 0.060(5) Uani 0.4 1 d . . P A 1
C25 C 0.2205(12) 1.2975(14) 0.4006(13) 0.105(9) Uiso 0.5 1 d G . P A 1
H25 H 0.2718 1.3273 0.4281 0.127 Uiso 0.5 1 calc R U P A 1
C26 C 0.1940(12) 1.2089(14) 0.3932(12) 0.089(6) Uiso 0.5 1 d G . P A 1
H26 H 0.2245 1.1689 0.4150 0.107 Uiso 0.5 1 calc R U P A 1
C27 C 0.1140(12) 1.1903(12) 0.3477(12) 0.090(7) Uiso 0.5 1 d G . P A 1
H27 H 0.0815 1.1359 0.3336 0.108 Uiso 0.5 1 calc R U P A 1
C28 C 0.0910(11) 1.2675(14) 0.3269(11) 0.087(6) Uiso 0.5 1 d G . P A 1
H28 H 0.0404 1.2738 0.2965 0.104 Uiso 0.5 1 calc R U P A 1
C29 C 0.1568(14) 1.3338(11) 0.3596(13) 0.094(7) Uiso 0.5 1 d G . P A 1
H29 H 0.1580 1.3921 0.3548 0.113 Uiso 0.5 1 calc R U P A 1
Mo3 Mo 0.5684(4) 1.2703(2) 0.0865(3) 0.0345(7) Uani 0.5 1 d . . P A 1
Mo4 Mo 0.6836(4) 1.1629(2) 0.1675(3) 0.0352(7) Uani 0.5 1 d . . P A 1
P3 P 0.5343(11) 1.1271(7) 0.1179(8) 0.037(2) Uani 0.5 1 d . . P A 1
P4 P 0.6175(11) 1.1205(7) 0.0265(9) 0.040(2) Uani 0.5 1 d . . P A 1
C21 C 0.280(2) 1.3084(18) 0.2190(19) 0.077(8) Uani 0.5 1 d . . P A 1
O21 O 0.3163(11) 1.3583(13) 0.1864(12) 0.085(5) Uani 0.5 1 d . . P A 1
C22 C 0.3383(15) 1.1656(18) 0.2876(10) 0.064(5) Uani 0.5 1 d . . P A 1
O22 O 0.4071(9) 1.1494(13) 0.3057(9) 0.065(4) Uani 0.5 1 d . . P A 1
C11 C 0.1038(17) 1.0482(17) 0.0563(17) 0.085(6) Uiso 0.5 1 d . . P A 1
O11 O 0.0983(12) 0.9740(11) -0.0007(11) 0.086(4) Uiso 0.5 1 d . . P A 1
C12 C 0.0284(12) 1.1497(13) 0.1846(12) 0.060(4) Uiso 0.5 1 d . . P A 1
O12 O -0.0280(13) 1.1353(13) 0.2192(12) 0.098(5) Uiso 0.5 1 d . . P A 1
Mo1A Mo 0.1236(4) 1.1564(3) 0.0992(3) 0.0441(8) Uani 0.5 1 d . . P A 2
P1A P 0.2712(9) 1.1435(7) 0.1454(6) 0.049(2) Uani 0.5 1 d . . P A 2
Mo2A Mo 0.2291(4) 1.2375(3) 0.2749(4) 0.0479(13) Uani 0.3 1 d . . P A 2
P2A P 0.1887(12) 1.0950(14) 0.2239(10) 0.073(5) Uani 0.3 1 d . . P A 2
C25A C 0.216(2) 1.275(3) 0.407(2) 0.100 Uiso 0.3 1 d G U P A 2
H25B H 0.2459 1.2416 0.4370 0.120 Uiso 0.3 1 calc R U P A 2
C26A C 0.2482(18) 1.353(3) 0.394(2) 0.118(16) Uiso 0.3 1 d G . P A 2
H26B H 0.3027 1.3825 0.4128 0.142 Uiso 0.3 1 calc R U P A 2
C27A C 0.184(2) 1.3812(19) 0.346(2) 0.116(16) Uiso 0.3 1 d G . P A 2
H27B H 0.1885 1.4321 0.3284 0.140 Uiso 0.3 1 calc R U P A 2
C28A C 0.1130(17) 1.320(2) 0.3307(16) 0.072(8) Uiso 0.3 1 d G . P A 2
H28B H 0.0611 1.3219 0.3005 0.086 Uiso 0.3 1 calc R U P A 2
C29A C 0.133(2) 1.2536(19) 0.3683(18) 0.080(9) Uiso 0.3 1 d G . P A 2
H29B H 0.0965 1.2042 0.3676 0.096 Uiso 0.3 1 calc R U P A 2
Mo3A Mo 0.5715(4) 1.2469(2) 0.0735(3) 0.0346(6) Uani 0.5 1 d . . P A 2
Mo4A Mo 0.6852(4) 1.1399(2) 0.1540(3) 0.0346(7) Uani 0.5 1 d . . P A 2
P3A P 0.5344(11) 1.1040(7) 0.1010(8) 0.0345(18) Uani 0.5 1 d . . P A 2
P4A P 0.6228(10) 1.0971(7) 0.0133(8) 0.0328(17) Uani 0.5 1 d . . P A 2
C11A C 0.1144(11) 1.0414(11) 0.0174(11) 0.053(4) Uiso 0.5 1 d . . P A 2
O11A O 0.1092(12) 0.9771(12) -0.0402(12) 0.091(5) Uiso 0.5 1 d . . P A 2
C12A C 0.0258(13) 1.1145(14) 0.1509(13) 0.063(4) Uiso 0.5 1 d . . P A 2
O12A O -0.0349(10) 1.0975(10) 0.1804(10) 0.075(4) Uiso 0.5 1 d . . P A 2
C21A C 0.275(4) 1.314(4) 0.247(3) 0.13(2) Uiso 0.5 1 d . . P A 2
O21A O 0.2913(19) 1.3711(19) 0.2244(17) 0.118(9) Uiso 0.5 1 d . . P A 2
C22A C 0.3491(18) 1.2049(17) 0.2974(16) 0.070(7) Uiso 0.5 1 d . . P A 2
O22A O 0.4182(16) 1.1881(14) 0.3150(14) 0.092(8) Uiso 0.5 1 d . . P A 2
Mo2B Mo 0.2086(4) 1.1719(5) 0.2562(4) 0.0419(15) Uiso 0.15 1 d . . P B 3
P2B P 0.1932(17) 1.048(2) 0.1605(14) 0.073(6) Uani 0.3 1 d . . P B 3
C25B C 0.194(2) 1.251(3) 0.398(2) 0.079(15) Uiso 0.2 1 d G . P B 3
H25A H 0.2418 1.2809 0.4314 0.095 Uiso 0.2 1 calc R U P B 3
C26B C 0.173(3) 1.159(3) 0.377(3) 0.089(16) Uiso 0.2 1 d G . P B 3
H26A H 0.2042 1.1166 0.3946 0.107 Uiso 0.2 1 calc R U P B 3
C27B C 0.097(3) 1.142(2) 0.326(3) 0.079(13) Uiso 0.2 1 d G . P B 3
H27A H 0.0681 1.0863 0.3034 0.094 Uiso 0.2 1 calc R U P B 3
C28B C 0.071(2) 1.224(3) 0.315(2) 0.092(17) Uiso 0.2 1 d G . P B 3
H28A H 0.0216 1.2319 0.2839 0.111 Uiso 0.2 1 calc R U P B 3
C29B C 0.131(2) 1.291(2) 0.3596(19) 0.043(7) Uiso 0.2 1 d G . P B 3
H29A H 0.1290 1.3522 0.3630 0.051 Uiso 0.2 1 calc R U P B 3
Mo2C Mo 0.2395(5) 1.2645(6) 0.2736(5) 0.050(2) Uiso 0.15 1 d . . P A 2
C13 C 0.1226(9) 1.2041(9) -0.0057(7) 0.091(4) Uani 1 1 d . . . . .
H13A H 0.1432 1.1653 -0.0572 0.109 Uiso 1 1 calc R U . A 1
C14 C 0.1721(6) 1.2683(7) 0.0522(7) 0.073(3) Uani 1 1 d . . . . .
H14A H 0.2341 1.2853 0.0481 0.087 Uiso 1 1 calc R U . A 1
C15 C 0.1184(6) 1.3115(6) 0.1110(7) 0.072(3) Uani 1 1 d . . . . .
H15A H 0.1340 1.3669 0.1549 0.086 Uiso 1 1 calc R U . A 1
C16 C 0.0333(5) 1.2718(6) 0.0911(7) 0.065(2) Uani 1 1 d . . . . .
H16A H -0.0208 1.2945 0.1186 0.077 Uiso 1 1 calc R U . A 1
C17 C 0.0369(6) 1.2072(6) 0.0205(7) 0.068(2) Uani 1 1 d . . . . .
H17A H -0.0140 1.1713 -0.0103 0.082 Uiso 1 1 calc R U . A 1
C31 C 0.4543(5) 1.2247(6) 0.0235(6) 0.061(2) Uani 1 1 d . . . . .
O31 O 0.3890(4) 1.2092(4) -0.0103(4) 0.0718(18) Uani 1 1 d . . . . .
C32 C 0.5100(7) 1.2914(8) 0.1824(7) 0.076(3) Uani 1 1 d . . . . .
O32 O 0.4857(18) 1.3304(15) 0.2514(13) 0.078(7) Uani 0.55 1 d . . P A 1
O32A O 0.472(2) 1.2969(17) 0.2308(17) 0.083(8) Uani 0.45 1 d . . P A 2
C33 C 0.5851(8) 1.3361(9) -0.0114(7) 0.086(4) Uani 1 1 d . . . . .
H33A H 0.5540 1.3171 -0.0651 0.103 Uiso 1 1 calc R U . A 1
C34 C 0.5542(6) 1.3918(6) 0.0545(7) 0.069(2) Uani 1 1 d . . . . .
H34A H 0.4995 1.4253 0.0566 0.083 Uiso 1 1 calc R U . A 1
C35 C 0.6174(7) 1.4047(7) 0.1169(7) 0.076(3) Uani 1 1 d . . . . .
H35A H 0.6157 1.4496 0.1705 0.091 Uiso 1 1 calc R U . A 1
C36 C 0.6898(6) 1.3546(7) 0.0863(7) 0.076(3) Uani 1 1 d . . . . .
H36A H 0.7462 1.3535 0.1163 0.091 Uiso 1 1 calc R U . A 1
C37 C 0.6705(7) 1.3100(8) 0.0062(7) 0.081(3) Uani 1 1 d . . . . .
H37A H 0.7090 1.2695 -0.0317 0.097 Uiso 1 1 calc R U . A 1
C41 C 0.7134(5) 1.0237(6) 0.1188(6) 0.060(2) Uani 1 1 d . . . . .
C42 C 0.7765(5) 1.1824(6) 0.0971(5) 0.0583(19) Uani 1 1 d . . . . .
O41 O 0.7308(4) 0.9527(5) 0.0994(4) 0.0717(17) Uani 1 1 d . . . . .
O42 O 0.8326(4) 1.2014(5) 0.0638(4) 0.0708(17) Uani 1 1 d . . . . .
C43 C 0.6321(7) 1.1938(8) 0.2884(5) 0.073(3) Uani 1 1 d . . . . .
H43A H 0.5690 1.1926 0.2995 0.087 Uiso 1 1 calc R U . A 1
C44 C 0.6783(7) 1.2686(7) 0.2811(5) 0.071(2) Uani 1 1 d . . . . .
H44A H 0.6558 1.3294 0.2890 0.085 Uiso 1 1 calc R U . A 1
C45 C 0.7658(7) 1.2425(7) 0.2696(6) 0.073(3) Uani 1 1 d . . . . .
H45A H 0.8159 1.2822 0.2665 0.088 Uiso 1 1 calc R U . A 1
C46 C 0.7718(6) 1.1543(7) 0.2706(6) 0.071(3) Uani 1 1 d . . . . .
H46A H 0.8262 1.1201 0.2665 0.086 Uiso 1 1 calc R U . A 1
C47 C 0.6875(7) 1.1239(8) 0.2833(6) 0.075(3) Uani 1 1 d . . . . .
H47A H 0.6716 1.0646 0.2891 0.090 Uiso 1 1 calc R U . A 1
N1 N 0.4305(4) 0.9516(5) 0.1879(4) 0.0516(15) Uani 1 1 d . . . . .
C111 C 0.3694(6) 0.9192(6) 0.2246(6) 0.062(2) Uani 1 1 d . . . . .
H11A H 0.3116 0.9385 0.2224 0.074 Uiso 1 1 calc R U . . .
C112 C 0.3872(9) 0.8593(8) 0.2651(8) 0.088(3) Uiso 1 1 d . . . . .
H11C H 0.3429 0.8435 0.2966 0.105 Uiso 1 1 d . U . . .
C113 C 0.5093(5) 0.9201(6) 0.1899(5) 0.0550(19) Uani 1 1 d . . . . .
H11B H 0.5527 0.9393 0.1613 0.066 Uiso 1 1 calc R U . . .
C114 C 0.5319(7) 0.8620(7) 0.2303(8) 0.082(3) Uani 1 1 d . . . . .
H11D H 0.5920 0.8467 0.2359 0.098 Uiso 1 1 d . U . . .
C115 C 0.4760(12) 0.8453(13) 0.2854(13) 0.037(5) Uiso 0.4 1 d . . P C 1
C116 C 0.4996(15) 0.7972(15) 0.3431(15) 0.052(5) Uiso 0.4 1 d . . P C 1
C117 C 0.5189(16) 0.7566(16) 0.3890(15) 0.060(5) Uiso 0.4 1 d . . P C 1
C118 C 0.5285(15) 0.7077(14) 0.4450(14) 0.059(5) Uiso 0.4 1 d . . P C 1
C119 C 0.4652(16) 0.7079(16) 0.5017(15) 0.063(5) Uiso 0.4 1 d . . P C 1
H119 H 0.4157 0.7431 0.5028 0.075 Uiso 0.4 1 calc R U P C 1
C120 C 0.4721(13) 0.6614(12) 0.5529(12) 0.049(4) Uiso 0.4 1 d . . P C 1
H12C H 0.4355 0.6733 0.5967 0.058 Uiso 0.4 1 calc R U P C 1
C121 C 0.5299(16) 0.5981(15) 0.5434(14) 0.065(5) Uiso 0.4 1 d . . P C 1
C122 C 0.5946(19) 0.5908(19) 0.4854(17) 0.078(7) Uiso 0.4 1 d . . P C 1
H12A H 0.6398 0.5499 0.4816 0.094 Uiso 0.4 1 calc R U P C 1
C123 C 0.5909(19) 0.6432(18) 0.4355(17) 0.078(7) Uiso 0.4 1 d . . P C 1
H12B H 0.6309 0.6354 0.3945 0.093 Uiso 0.4 1 calc R U P C 1
C124 C 0.5284(11) 0.5317(10) 0.5917(10) 0.077(6) Uiso 0.4 1 d G . P C 1
C125 C 0.6064(8) 0.5061(11) 0.6193(11) 0.056(9) Uiso 0.4 1 d G . P C 1
H12F H 0.6598 0.5306 0.6091 0.068 Uiso 0.4 1 calc R U P C 1
C126 C 0.6063(8) 0.4447(11) 0.6620(10) 0.063(5) Uiso 0.4 1 d G . P C 1
H12G H 0.6597 0.4272 0.6808 0.076 Uiso 0.4 1 calc R U P C 1
C127 C 0.5282(10) 0.4089(10) 0.6769(10) 0.066(5) Uiso 0.4 1 d G . P C 1
C128 C 0.4501(8) 0.4346(11) 0.6493(11) 0.079(7) Uiso 0.4 1 d G . P C 1
H12D H 0.3967 0.4101 0.6595 0.095 Uiso 0.4 1 calc R U P C 1
C129 C 0.4502(8) 0.4959(11) 0.6067(10) 0.063(5) Uiso 0.4 1 d G . P C 1
H12E H 0.3969 0.5135 0.5878 0.076 Uiso 0.4 1 calc R U P C 1
C130 C 0.5294(17) 0.3363(16) 0.7080(15) 0.068(6) Uiso 0.4 1 d . . P C 1
C131 C 0.5296(16) 0.2647(16) 0.7264(15) 0.061(5) Uiso 0.4 1 d . . P C 1
C132 C 0.5455(19) 0.1930(19) 0.7594(18) 0.059(9) Uiso 0.4 1 d . . P C 1
C141 C 0.465(3) 0.824(4) 0.261(4) 0.038(10) Uiso 0.2 1 d . . P C 2
C142 C 0.487(3) 0.774(3) 0.314(3) 0.044(8) Uiso 0.2 1 d . . P C 2
C143 C 0.498(2) 0.724(2) 0.356(2) 0.044(7) Uiso 0.2 1 d . . P C 2
C144 C 0.5613(15) 0.6022(15) 0.3884(13) 0.035(6) Uiso 0.2 1 d G . P C 2
H144 H 0.5979 0.5957 0.3450 0.043 Uiso 0.2 1 calc R U P C 2
C145 C 0.5644(15) 0.5420(14) 0.4323(14) 0.040(7) Uiso 0.2 1 d DG . P C 2
H14C H 0.6032 0.4944 0.4189 0.048 Uiso 0.2 1 calc R U P C 2
C146 C 0.5108(18) 0.5516(16) 0.4957(15) 0.074(12) Uiso 0.2 1 d DG . P C 2
C147 C 0.4541(17) 0.6213(18) 0.5153(15) 0.054(9) Uiso 0.2 1 d DG . P C 2
H147 H 0.4175 0.6278 0.5587 0.065 Uiso 0.2 1 calc R U P C 2
C148 C 0.4510(17) 0.6815(16) 0.4715(17) 0.054(9) Uiso 0.2 1 d G . P C 2
H14B H 0.4123 0.7291 0.4849 0.065 Uiso 0.2 1 calc R U P C 2
C149 C 0.5046(18) 0.6719(16) 0.4080(16) 0.064(10) Uiso 0.2 1 d G . P C 2
Al1 Al 0.00814(13) 0.70070(12) 0.31403(11) 0.0391(4) Uani 1 1 d . . . . .
O1 O -0.0393(4) 0.8010(4) 0.3304(4) 0.0628(15) Uani 1 1 d . . . . .
O2 O 0.0957(4) 0.7126(4) 0.3807(3) 0.0545(12) Uani 1 1 d . . . . .
O3 O 0.0471(4) 0.6604(4) 0.2198(3) 0.0538(12) Uani 1 1 d . . . . .
O4 O -0.0682(4) 0.6245(4) 0.3228(4) 0.0616(14) Uani 1 1 d . . . . .
C11T C -0.1078(7) 0.8513(6) 0.3261(5) 0.065(2) Uani 1 1 d D . . . .
C12T C -0.0651(14) 0.9358(10) 0.3028(14) 0.085(6) Uani 0.6 1 d . . P D 1
F121 F -0.1254(9) 1.0044(6) 0.3268(9) 0.103(4) Uani 0.6 1 d . . P D 1
F122 F 0.0038(9) 0.9700(7) 0.3432(9) 0.089(3) Uani 0.6 1 d . . P D 1
F123 F -0.0508(9) 0.9198(8) 0.2302(8) 0.092(3) Uiso 0.6 1 d . . P D 1
C13T C -0.1432(13) 0.8827(13) 0.4089(12) 0.081(5) Uiso 0.6 1 d . . P D 1
F131 F -0.2226(9) 0.9205(9) 0.4017(8) 0.102(3) Uiso 0.6 1 d . . P D 1
F132 F -0.0929(8) 0.9537(8) 0.4545(8) 0.082(3) Uiso 0.6 1 d . . P D 1
F133 F -0.1530(8) 0.8179(8) 0.4368(7) 0.085(3) Uiso 0.6 1 d . . P D 1
C14T C -0.1726(14) 0.8053(14) 0.2618(13) 0.084(5) Uiso 0.6 1 d . . P D 1
F141 F -0.2139(11) 0.8647(11) 0.2240(10) 0.107(5) Uiso 0.6 1 d . . P D 1
F142 F -0.1379(9) 0.7529(9) 0.1972(9) 0.087(4) Uiso 0.6 1 d . . P D 1
F143 F -0.2183(11) 0.7537(10) 0.2842(10) 0.111(5) Uiso 0.6 1 d . . P D 1
C15T C -0.095(3) 0.937(2) 0.381(2) 0.100(9) Uiso 0.4 1 d . . P D 2
F151 F -0.0219(15) 0.9617(17) 0.3712(14) 0.103(4) Uiso 0.4 1 d D . P D 2
F152 F -0.1677(13) 0.9913(13) 0.3628(12) 0.103(4) Uiso 0.4 1 d D . P D 2
F153 F -0.1161(14) 0.9349(16) 0.4630(13) 0.103(4) Uiso 0.4 1 d D . P D 2
C16T C -0.1995(18) 0.8010(18) 0.3582(17) 0.075(6) Uiso 0.4 1 d . . P D 2
F161 F -0.1748(12) 0.7838(12) 0.4232(10) 0.086(3) Uiso 0.4 1 d D . P D 2
F162 F -0.2563(11) 0.8637(10) 0.3769(9) 0.086(3) Uiso 0.4 1 d D . P D 2
F163 F -0.2306(12) 0.7363(11) 0.3095(10) 0.086(3) Uiso 0.4 1 d D . P D 2
C17T C -0.1431(11) 0.8401(12) 0.2396(11) 0.090(8) Uiso 0.4 1 d D . P D 2
F171 F -0.2317(12) 0.8542(12) 0.2386(11) 0.073(3) Uiso 0.4 1 d D . P D 2
F172 F -0.0913(11) 0.8972(10) 0.2135(9) 0.073(3) Uiso 0.4 1 d D . P D 2
F173 F -0.1182(13) 0.7621(12) 0.1871(11) 0.073(3) Uiso 0.4 1 d D . P D 2
C21T C 0.1319(5) 0.7394(5) 0.4529(4) 0.0499(16) Uani 1 1 d . . . . .
C23T C 0.0649(6) 0.7654(8) 0.5174(6) 0.076(3) Uani 1 1 d . . . . .
F231 F 0.0331(6) 0.8505(6) 0.5156(5) 0.0625(19) Uiso 0.6 1 d . . P E 1
F232 F -0.0013(6) 0.7060(7) 0.5018(5) 0.061(2) Uiso 0.6 1 d . . P E 1
F233 F 0.0915(6) 0.7890(6) 0.5904(5) 0.059(2) Uiso 0.6 1 d . . P E 1
F234 F 0.071(3) 0.858(2) 0.534(3) 0.26(2) Uiso 0.4 1 d D . P E 2
F235 F -0.0107(9) 0.7371(10) 0.4978(8) 0.059(3) Uiso 0.4 1 d D . P E 2
F236 F 0.0966(9) 0.7507(11) 0.5889(8) 0.066(3) Uiso 0.4 1 d D . P E 2
C24T C 0.1960(7) 0.8201(8) 0.4595(6) 0.079(3) Uani 1 1 d . . . . .
F241 F 0.1612(6) 0.8745(4) 0.4248(5) 0.110(3) Uani 1 1 d . . . . .
F242 F 0.2198(5) 0.8654(5) 0.5343(4) 0.098(2) Uani 1 1 d . . . . .
F243 F 0.2677(4) 0.7880(6) 0.4204(4) 0.102(2) Uani 1 1 d . . . . .
C22T C 0.1858(8) 0.6681(8) 0.4735(7) 0.080(3) Uiso 1 1 d . . . . .
F221 F 0.2260(5) 0.6213(5) 0.4132(5) 0.102(2) Uiso 1 1 d . . . . .
F222 F 0.2442(5) 0.6988(4) 0.5347(4) 0.0899(17) Uiso 1 1 d . . . . .
F223 F 0.1314(6) 0.6069(6) 0.4911(6) 0.122(3) Uiso 1 1 d . . . . .
C31T C 0.1072(6) 0.6683(6) 0.1696(5) 0.061(2) Uani 1 1 d . . . . .
C32T C 0.0748(10) 0.6159(7) 0.0833(5) 0.084(3) Uani 1 1 d . . . . .
F321 F 0.0794(5) 0.5298(4) 0.0721(4) 0.093(2) Uani 1 1 d . . . . .
F322 F 0.1209(6) 0.6369(5) 0.0276(3) 0.104(2) Uani 1 1 d . . . . .
F323 F -0.0068(5) 0.6328(4) 0.0710(3) 0.0899(19) Uani 1 1 d . . . . .
C33T C 0.1957(7) 0.6284(7) 0.1908(7) 0.074(3) Uani 1 1 d . . . . .
F331 F 0.1778(4) 0.5534(4) 0.2064(5) 0.0861(17) Uani 1 1 d . . . . .
F332 F 0.2483(5) 0.6116(5) 0.1308(4) 0.096(2) Uani 1 1 d . . . . .
F333 F 0.2361(4) 0.6826(4) 0.2539(4) 0.0748(14) Uani 1 1 d . . . . .
C34T C 0.1258(8) 0.7664(7) 0.1745(6) 0.071(2) Uani 1 1 d . . . . .
F341 F 0.1992(5) 0.7804(4) 0.1405(4) 0.097(2) Uani 1 1 d . . . . .
F342 F 0.0621(5) 0.7985(4) 0.1395(4) 0.094(2) Uani 1 1 d . . . . .
F343 F 0.1337(4) 0.8165(3) 0.2490(3) 0.0686(13) Uani 1 1 d . . . . .
C41T C -0.0978(6) 0.5423(5) 0.3091(6) 0.064(2) Uani 1 1 d D . . . .
C44T C -0.0871(9) 0.4880(9) 0.2182(7) 0.091(3) Uiso 1 1 d D . . . .
C42T C -0.0292(13) 0.4838(12) 0.3394(12) 0.061(4) Uiso 0.5 1 d . . P F 2
F421 F 0.0525(8) 0.5051(8) 0.3253(8) 0.079(3) Uiso 0.5 1 d . . P F 2
F423 F -0.0408(10) 0.3987(9) 0.3075(9) 0.089(3) Uiso 0.5 1 d . . P F 2
F424 F -0.0395(11) 0.5120(11) 0.4224(11) 0.100(4) Uiso 0.5 1 d . . P F 2
F441 F -0.0146(8) 0.4747(7) 0.1868(7) 0.073(3) Uiso 0.5 1 d . . P G 2
F442 F -0.1405(9) 0.4169(9) 0.1914(8) 0.075(3) Uiso 0.5 1 d . . P G 2
C47T C -0.1785(19) 0.524(3) 0.348(2) 0.099(6) Uiso 0.4 1 d D . P F 2
F471 F -0.1758(16) 0.5860(14) 0.4190(13) 0.121(7) Uiso 0.4 1 d D . P F 2
F472 F -0.1907(13) 0.4474(11) 0.3604(11) 0.095(5) Uiso 0.4 1 d D . P F 2
F473 F -0.2359(18) 0.5413(15) 0.2996(14) 0.120 Uiso 0.4 1 d D U P F 2
C43T C -0.1891(18) 0.5465(16) 0.3239(14) 0.099(6) Uiso 0.6 1 d D . P F 1
F431 F -0.2420(8) 0.5608(7) 0.2648(7) 0.085(3) Uiso 0.6 1 d . . P F 1
F432 F -0.2153(9) 0.6090(8) 0.3909(8) 0.096(3) Uiso 0.6 1 d D . P F 1
F433 F -0.2255(9) 0.4680(8) 0.3334(8) 0.094(3) Uiso 0.6 1 d . . P F 1
C45T C -0.0580(19) 0.5042(18) 0.378(2) 0.088(7) Uiso 0.5 1 d . . P F 1
F451 F -0.0652(10) 0.4206(10) 0.3565(10) 0.096(4) Uiso 0.5 1 d . . P F 1
F452 F 0.0273(12) 0.5230(11) 0.3752(11) 0.108(5) Uiso 0.5 1 d . . P F 1
F453 F -0.0894(11) 0.5468(10) 0.4495(9) 0.098(4) Uiso 0.5 1 d . . P F 1
F461 F -0.1230(11) 0.3998(11) 0.2155(10) 0.097(5) Uiso 0.5 1 d . . P G 1
F462 F 0.0049(11) 0.4660(10) 0.2349(10) 0.100(4) Uiso 0.5 1 d . . P G 1
F443 F -0.1173(8) 0.5330(7) 0.1730(5) 0.152(4) Uani 1 1 d . . . . .
Cl11 Cl 0.6160(2) 0.6403(2) 0.1449(2) 0.0609(8) Uani 0.6 1 d . . P . .
C1S C 0.7011(13) 0.6372(14) 0.0943(12) 0.030(4) Uiso 0.3 1 d . . P H 1
H1SA H 0.7517 0.6227 0.1242 0.036 Uiso 0.3 1 calc R U P H 1
H1SB H 0.7126 0.6966 0.0881 0.036 Uiso 0.3 1 calc R U P H 1
Cl12 Cl 0.6910(4) 0.5618(4) 0.0027(5) 0.0463(14) Uiso 0.3 1 d . . P H 1
C1SA C 0.710(2) 0.600(3) 0.071(2) 0.067(8) Uiso 0.3 1 d . . P H 2
H1SC H 0.7523 0.6498 0.0772 0.080 Uiso 0.3 1 calc R U P H 2
H1SD H 0.7413 0.5523 0.0854 0.080 Uiso 0.3 1 calc R U P H 2
Cl13 Cl 0.6777(4) 0.5634(4) -0.0220(4) 0.0454(14) Uiso 0.3 1 d . . P H 2
C3S C 0.500(15) 1.00(2) 0.488(14) 0.08(5) Uiso 0.05 1 d D . P I -1
H3SA H 0.5467 1.0307 0.5287 0.092 Uiso 0.05 1 calc R U P I -1
H3SB H 0.5206 0.9442 0.4619 0.092 Uiso 0.05 1 calc R U P I -1
Cl31 Cl 0.536(3) 1.050(3) 0.419(3) 0.070(10) Uiso 0.05 1 d D . P I -1
Cl32 Cl 0.437(4) 0.971(3) 0.552(3) 0.075(11) Uiso 0.05 1 d D . P I -1
C2S C 0.608(3) 0.466(3) 0.698(3) 0.017(8) Uiso 0.1 1 d . . P J 2
H2S1 H 0.6113 0.4031 0.6658 0.020 Uiso 0.1 1 calc R U P J 2
H2S2 H 0.6649 0.4829 0.7265 0.020 Uiso 0.1 1 calc R U P J 2
Cl21 Cl 0.6007(11) 0.5221(14) 0.6338(13) 0.040(4) Uiso 0.1 1 d . . P J 2
Cl22 Cl 0.5404(12) 0.4678(11) 0.7630(10) 0.048(3) Uiso 0.1 1 d . . P J 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
Ag1 P1 2.313(9) . ?
Ag1 N1 2.337(6) . ?
Ag1 P4A 2.345(11) 2_675 ?
Ag1 P3A 2.443(15) . ?
Ag1 P3 2.592(15) . ?
Ag1 P1A 2.624(10) . ?
Ag1 P4 2.702(11) 2_675 ?
Mo1 C11 1.94(3) . ?
Mo1 C12 1.96(2) . ?
Mo1 C15 2.293(11) . ?
Mo1 C16 2.302(10) . ?
Mo1 C14 2.358(11) . ?
Mo1 C17 2.384(11) . ?
Mo1 C13 2.439(12) . ?
Mo1 P2 2.491(19) . ?
Mo1 P1 2.497(12) . ?
Mo1 Mo2 2.790(7) . ?
P1 P2 2.11(2) . ?
P1 Mo2 2.583(9) . ?
Mo2 C22 1.99(2) . ?
Mo2 C21 2.20(4) . ?
Mo2 P2 2.29(2) . ?
Mo2 C26 2.31(2) . ?
Mo2 C27 2.31(2) . ?
Mo2 C25 2.40(2) . ?
Mo2 C28 2.41(2) . ?
Mo2 C29 2.47(2) . ?
C25 C26 1.4200 . ?
C25 C29 1.4200 . ?
C25 H25 0.9500 . ?
C26 C27 1.4200 . ?
C26 H26 0.9500 . ?
C27 C28 1.4200 . ?
C27 H27 0.9500 . ?
C28 C29 1.4200 . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
Mo3 C32 1.889(12) . ?
Mo3 C31 2.040(10) . ?
Mo3 C35 2.148(10) . ?
Mo3 C34 2.166(10) . ?
Mo3 C33 2.279(10) . ?
Mo3 C36 2.280(10) . ?
Mo3 C37 2.355(10) . ?
Mo3 P4 2.440(10) . ?
Mo3 P3 2.536(15) . ?
Mo3 Mo4 3.063(8) . ?
Mo4 C42 2.009(11) . ?
Mo4 C41 2.178(11) . ?
Mo4 C44 2.200(10) . ?
Mo4 C45 2.200(10) . ?
Mo4 C43 2.221(11) . ?
Mo4 C46 2.259(10) . ?
Mo4 C47 2.294(10) . ?
Mo4 P3 2.423(17) . ?
Mo4 P4 2.533(17) . ?
P3 P4 2.08(2) . ?
P4 Ag1 2.702(11) 2_675 ?
C21 O21 1.24(4) . ?
C22 O22 1.15(3) . ?
C11 O11 1.30(3) . ?
C12 O12 1.14(3) . ?
Mo1A C11A 1.957(18) . ?
Mo1A C12A 1.99(2) . ?
Mo1A C13 2.188(12) . ?
Mo1A C17 2.209(10) . ?
Mo1A C14 2.288(10) . ?
Mo1A C16 2.347(10) . ?
Mo1A C15 2.402(11) . ?
Mo1A P1A 2.417(14) . ?
Mo1A P2A 2.804(19) . ?
P1A P2A 2.20(2) . ?
P1A Mo2A 2.444(10) . ?
P1A Mo2C 2.561(11) . ?
Mo2A C21A 1.60(6) . ?
Mo2A C22A 1.99(3) . ?
Mo2A C29A 2.22(3) . ?
Mo2A P2A 2.23(2) . ?
Mo2A C25A 2.24(4) . ?
Mo2A C28A 2.31(3) . ?
Mo2A C26A 2.34(4) . ?
Mo2A C27A 2.38(3) . ?
P2A Mo2C 2.65(2) . ?
C25A C29A 1.4200 . ?
C25A C26A 1.4200 . ?
C25A Mo2C 2.35(4) . ?
C25A H25B 0.9500 . ?
C26A C27A 1.4200 . ?
C26A Mo2C 2.16(4) . ?
C26A H26B 0.9500 . ?
C27A C28A 1.4200 . ?
C27A Mo2C 2.13(4) . ?
C27A H27B 0.9500 . ?
C28A C29A 1.4200 . ?
C28A Mo2C 2.30(3) . ?
C28A H28B 0.9500 . ?
C29A Mo2C 2.43(3) . ?
C29A H29B 0.9500 . ?
Mo3A C31 1.955(10) . ?
Mo3A C32 2.107(12) . ?
Mo3A C33 2.348(10) . ?
Mo3A C37 2.350(10) . ?
Mo3A C34 2.427(10) . ?
Mo3A C36 2.431(10) . ?
Mo3A P4A 2.453(10) . ?
Mo3A C35 2.466(10) . ?
Mo3A P3A 2.508(15) . ?
Mo3A Mo4A 3.041(8) . ?
Mo4A C41 1.824(11) . ?
Mo4A C42 1.979(10) . ?
Mo4A C46 2.350(9) . ?
Mo4A C47 2.359(10) . ?
Mo4A C43 2.445(11) . ?
Mo4A P3A 2.461(17) . ?
Mo4A C45 2.466(10) . ?
Mo4A P4A 2.509(16) . ?
Mo4A C44 2.547(10) . ?
P3A P4A 2.08(2) . ?
P4A Ag1 2.345(11) 2_675 ?
C11A O11A 1.20(3) . ?
C12A O12A 1.15(2) . ?
C21A O21A 1.11(7) . ?
C21A Mo2C 1.16(6) . ?
O21A Mo2C 2.26(3) . ?
C22A O22A 1.15(3) . ?
C22A Mo2C 2.04(3) . ?
Mo2B P2B 2.18(3) . ?
Mo2B C27B 2.28(4) . ?
Mo2B C26B 2.28(5) . ?
Mo2B C28B 2.45(4) . ?
Mo2B C25B 2.46(4) . ?
Mo2B C29B 2.56(3) . ?
C25B C29B 1.4200 . ?
C25B C26B 1.4200 . ?
C25B H25A 0.9500 . ?
C26B C27B 1.4200 . ?
C26B H26A 0.9500 . ?
C27B C28B 1.4200 . ?
C27B H27A 0.9500 . ?
C28B C29B 1.4200 . ?
C28B H28A 0.9500 . ?
C29B H29A 0.9500 . ?
C13 C14 1.396(17) . ?
C13 C17 1.415(16) . ?
C13 H13A 1.0000 . ?
C14 C15 1.376(16) . ?
C14 H14A 1.0000 . ?
C15 C16 1.430(12) . ?
C15 H15A 1.0000 . ?
C16 C17 1.358(15) . ?
C16 H16A 1.0000 . ?
C17 H17A 1.0000 . ?
C31 O31 1.133(10) . ?
C32 O32A 1.04(3) . ?
C32 O32 1.26(2) . ?
C33 C34 1.343(17) . ?
C33 C37 1.435(17) . ?
C33 H33A 1.0000 . ?
C34 C35 1.403(14) . ?
C34 H34A 1.0000 . ?
C35 C36 1.412(16) . ?
C35 H35A 1.0000 . ?
C36 C37 1.395(16) . ?
C36 H36A 1.0000 . ?
C37 H37A 1.0000 . ?
C41 O41 1.115(11) . ?
C42 O42 1.149(10) . ?
C43 C47 1.393(16) . ?
C43 C44 1.411(15) . ?
C43 H43A 1.0000 . ?
C44 C45 1.423(15) . ?
C44 H44A 1.0000 . ?
C45 C46 1.404(15) . ?
C45 H45A 1.0000 . ?
C46 C47 1.428(14) . ?
C46 H46A 1.0000 . ?
C47 H47A 1.0000 . ?
N1 C113 1.325(10) . ?
N1 C111 1.340(10) . ?
C111 C112 1.366(15) . ?
C111 H11A 0.9500 . ?
C112 C141 1.32(5) . ?
C112 C132 1.34(3) 2_666 ?
C112 C115 1.44(2) . ?
C112 H11C 0.9729 . ?
C113 C114 1.359(11) . ?
C113 H11B 0.9500 . ?
C114 C141 1.39(5) . ?
C114 C115 1.40(2) . ?
C114 C132 1.51(3) 2_666 ?
C114 H11D 0.9700 . ?
C115 C132 0.89(4) 2_666 ?
C115 C116 1.47(3) . ?
C115 C131 1.69(3) 2_666 ?
C116 C117 1.20(3) . ?
C116 C131 1.37(3) 2_666 ?
C116 C132 1.95(4) 2_666 ?
C117 C118 1.42(3) . ?
C117 C130 2.00(4) 2_666 ?
C118 C123 1.39(4) . ?
C118 C119 1.42(3) . ?
C119 C120 1.32(3) . ?
C119 H119 0.9500 . ?
C120 C121 1.33(3) . ?
C120 H12C 0.9500 . ?
C121 C122 1.44(4) . ?
C121 C124 1.53(3) . ?
C122 C123 1.37(4) . ?
C122 C129 1.88(5) 2_666 ?
C122 H12A 0.9500 . ?
C123 C128 1.72(6) 2_666 ?
C123 H12B 0.9500 . ?
C124 C125 1.3900 . ?
C124 C129 1.3900 . ?
C125 C126 1.3900 . ?
C125 H12F 0.9500 . ?
C126 C127 1.3900 . ?
C126 H12G 0.9500 . ?
C127 C128 1.3900 . ?
C127 C130 1.41(3) . ?
C128 C129 1.3900 . ?
C128 C123 1.72(3) 2_666 ?
C128 H12D 0.9500 . ?
C129 C122 1.88(3) 2_666 ?
C129 H12E 0.9500 . ?
C130 C131 1.27(3) . ?
C130 C117 2.00(4) 2_666 ?
C131 C116 1.37(3) 2_666 ?
C131 C132 1.44(4) . ?
C131 C115 1.69(3) 2_666 ?
C132 C115 0.89(4) 2_666 ?
C132 C112 1.34(3) 2_666 ?
C132 C114 1.51(3) 2_666 ?
C132 C116 1.95(4) 2_666 ?
C141 C142 1.43(6) . ?
C142 C143 1.24(5) . ?
C143 C149 1.40(4) . ?
C144 C145 1.3900 . ?
C144 C149 1.3900 . ?
C144 H144 0.9500 . ?
C145 C146 1.3900 . ?
C145 H14C 0.9500 . ?
C146 C147 1.3900 . ?
C146 C146 1.71(4) 2_666 ?
C147 C148 1.3900 . ?
C147 H147 0.9500 . ?
C148 C149 1.3900 . ?
C148 H14B 0.9500 . ?
Al1 O1 1.709(5) . ?
Al1 O4 1.713(6) . ?
Al1 O2 1.721(5) . ?
Al1 O3 1.728(5) . ?
O1 C11T 1.346(10) . ?
O2 C21T 1.310(9) . ?
O3 C31T 1.334(11) . ?
O4 C41T 1.320(10) . ?
C11T C15T 1.42(4) . ?
C11T C14T 1.48(2) . ?
C11T C13T 1.52(2) . ?
C11T C17T 1.551(18) . ?
C11T C12T 1.64(2) . ?
C11T C16T 1.80(3) . ?
C12T F123 1.26(2) . ?
C12T F122 1.27(3) . ?
C12T F121 1.420(19) . ?
C13T F133 1.27(2) . ?
C13T F132 1.38(2) . ?
C13T F131 1.39(2) . ?
C14T F143 1.23(2) . ?
C14T F142 1.33(2) . ?
C14T F141 1.44(3) . ?
C15T F151 1.23(4) . ?
C15T F153 1.50(4) . ?
C15T F152 1.50(4) . ?
C16T F163 1.20(3) . ?
C16T F161 1.29(3) . ?
C16T F162 1.31(3) . ?
C17T F173 1.377(16) . ?
C17T F172 1.383(13) . ?
C17T F171 1.389(16) . ?
C21T C22T 1.529(14) . ?
C21T C23T 1.537(12) . ?
C21T C24T 1.574(13) . ?
C23T F235 1.239(16) . ?
C23T F233 1.273(13) . ?
C23T F232 1.338(13) . ?
C23T F234 1.41(3) . ?
C23T F236 1.414(18) . ?
C23T F231 1.448(16) . ?
C24T F241 1.302(15) . ?
C24T F242 1.331(11) . ?
C24T F243 1.354(13) . ?
C22T F221 1.289(13) . ?
C22T F222 1.342(14) . ?
C22T F223 1.379(15) . ?
C31T C34T 1.548(14) . ?
C31T C32T 1.556(13) . ?
C31T C33T 1.589(14) . ?
C32T F323 1.314(15) . ?
C32T F321 1.321(13) . ?
C32T F322 1.348(14) . ?
C33T F333 1.311(13) . ?
C33T F331 1.320(12) . ?
C33T F332 1.324(11) . ?
C34T F343 1.315(11) . ?
C34T F342 1.324(13) . ?
C34T F341 1.347(12) . ?
C41T C43T 1.44(3) . ?
C41T C47T 1.503(19) . ?
C41T C42T 1.59(2) . ?
C41T C44T 1.592(13) . ?
C41T C45T 1.60(3) . ?
C44T F441 1.260(17) . ?
C44T F443 1.291(17) . ?
C44T F442 1.338(18) . ?
C44T F461 1.48(2) . ?
C44T F462 1.50(2) . ?
C42T F423 1.30(2) . ?
C42T F421 1.35(2) . ?
C42T F424 1.41(3) . ?
C47T F473 1.28(5) . ?
C47T F472 1.31(4) . ?
C47T F471 1.34(4) . ?
C43T F431 1.37(3) . ?
C43T F432 1.378(17) . ?
C43T F433 1.41(3) . ?
C45T F451 1.27(3) . ?
C45T F452 1.35(3) . ?
C45T F453 1.36(4) . ?
Cl11 C1S 1.610(19) . ?
Cl11 C1SA 1.98(4) . ?
C1S Cl12 1.70(2) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1SA Cl13 1.61(4) . ?
C1SA H1SC 0.9900 . ?
C1SA H1SD 0.9900 . ?
C3S Cl31 1.69(5) . ?
C3S Cl32 1.70(5) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C2S Cl22 1.58(5) . ?
C2S Cl21 1.62(5) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?

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
P1 Ag1 N1 116.1(3) . . ?
N1 Ag1 P4A 95.0(4) . 2_675 ?
N1 Ag1 P3A 97.6(4) . . ?
P4A Ag1 P3A 111.1(5) 2_675 . ?
P1 Ag1 P3 109.3(4) . . ?
N1 Ag1 P3 97.7(4) . . ?
N1 Ag1 P1A 113.5(4) . . ?
P4A Ag1 P1A 124.0(5) 2_675 . ?
P3A Ag1 P1A 111.4(4) . . ?
P1 Ag1 P4 120.2(4) . 2_675 ?
N1 Ag1 P4 92.2(4) . 2_675 ?
P3 Ag1 P4 117.9(5) . 2_675 ?
C11 Mo1 C12 86.6(11) . . ?
C11 Mo1 C15 140.5(9) . . ?
C12 Mo1 C15 109.7(7) . . ?
C11 Mo1 C16 115.8(9) . . ?
C12 Mo1 C16 84.7(6) . . ?
C15 Mo1 C16 36.3(3) . . ?
C11 Mo1 C14 115.3(9) . . ?
C12 Mo1 C14 142.1(7) . . ?
C15 Mo1 C14 34.4(4) . . ?
C16 Mo1 C14 58.3(4) . . ?
C11 Mo1 C17 85.6(9) . . ?
C12 Mo1 C17 97.4(7) . . ?
C15 Mo1 C17 57.4(4) . . ?
C16 Mo1 C17 33.6(4) . . ?
C14 Mo1 C17 56.9(4) . . ?
C11 Mo1 C13 85.3(9) . . ?
C12 Mo1 C13 131.3(7) . . ?
C15 Mo1 C13 56.7(5) . . ?
C16 Mo1 C13 56.9(4) . . ?
C14 Mo1 C13 33.8(4) . . ?
C17 Mo1 C13 34.1(4) . . ?
C11 Mo1 P2 68.3(10) . . ?
C12 Mo1 P2 76.7(7) . . ?
C15 Mo1 P2 149.1(6) . . ?
C16 Mo1 P2 160.8(5) . . ?
C14 Mo1 P2 138.9(5) . . ?
C17 Mo1 P2 153.4(6) . . ?
C13 Mo1 P2 141.2(5) . . ?
C11 Mo1 P1 81.7(9) . . ?
C12 Mo1 P1 126.2(7) . . ?
C15 Mo1 P1 112.5(4) . . ?
C16 Mo1 P1 146.8(5) . . ?
C14 Mo1 P1 89.0(4) . . ?
C17 Mo1 P1 133.3(4) . . ?
C13 Mo1 P1 99.9(4) . . ?
P2 Mo1 P1 50.1(5) . . ?
C11 Mo1 Mo2 119.2(9) . . ?
C12 Mo1 Mo2 83.9(6) . . ?
C15 Mo1 Mo2 98.8(3) . . ?
C16 Mo1 Mo2 122.8(4) . . ?
C14 Mo1 Mo2 108.1(4) . . ?
C17 Mo1 Mo2 155.2(4) . . ?
C13 Mo1 Mo2 140.4(5) . . ?
P2 Mo1 Mo2 51.0(5) . . ?
P1 Mo1 Mo2 58.2(3) . . ?
P2 P1 Ag1 109.9(7) . . ?
P2 P1 Mo1 64.8(6) . . ?
Ag1 P1 Mo1 159.4(5) . . ?
P2 P1 Mo2 57.3(6) . . ?
Ag1 P1 Mo2 129.0(5) . . ?
Mo1 P1 Mo2 66.6(3) . . ?
C22 Mo2 C21 91.1(9) . . ?
C22 Mo2 P2 89.2(9) . . ?
C21 Mo2 P2 124.4(9) . . ?
C22 Mo2 C26 85.3(7) . . ?
C21 Mo2 C26 130.2(10) . . ?
P2 Mo2 C26 105.2(7) . . ?
C22 Mo2 C27 116.2(7) . . ?
C21 Mo2 C27 139.5(10) . . ?
P2 Mo2 C27 87.3(6) . . ?
C26 Mo2 C27 35.8(3) . . ?
C22 Mo2 C25 89.2(8) . . ?
C21 Mo2 C25 95.4(10) . . ?
P2 Mo2 C25 140.2(7) . . ?
C26 Mo2 C25 35.0(3) . . ?
C27 Mo2 C25 58.3(4) . . ?
C22 Mo2 C28 142.7(7) . . ?
C21 Mo2 C28 106.0(10) . . ?
P2 Mo2 C28 106.5(7) . . ?
C26 Mo2 C28 58.2(3) . . ?
C27 Mo2 C28 34.9(3) . . ?
C25 Mo2 C28 57.0(3) . . ?
C22 Mo2 C29 121.0(8) . . ?
C21 Mo2 C29 83.4(10) . . ?
P2 Mo2 C29 140.2(7) . . ?
C26 Mo2 C29 57.4(4) . . ?
C27 Mo2 C29 57.4(3) . . ?
C25 Mo2 C29 33.9(3) . . ?
C28 Mo2 C29 33.8(2) . . ?
C22 Mo2 P1 75.1(6) . . ?
C21 Mo2 P1 75.6(9) . . ?
P2 Mo2 P1 51.0(4) . . ?
C26 Mo2 P1 148.4(6) . . ?
C27 Mo2 P1 137.7(6) . . ?
C25 Mo2 P1 161.5(6) . . ?
C28 Mo2 P1 140.7(5) . . ?
C29 Mo2 P1 154.1(5) . . ?
C22 Mo2 Mo1 130.1(6) . . ?
C21 Mo2 Mo1 81.3(5) . . ?
P2 Mo2 Mo1 57.7(5) . . ?
C26 Mo2 Mo1 135.5(5) . . ?
C27 Mo2 Mo1 99.7(5) . . ?
C25 Mo2 Mo1 140.4(5) . . ?
C28 Mo2 Mo1 85.8(4) . . ?
C29 Mo2 Mo1 107.1(5) . . ?
P1 Mo2 Mo1 55.2(3) . . ?
P1 P2 Mo2 71.7(7) . . ?
P1 P2 Mo1 65.1(6) . . ?
Mo2 P2 Mo1 71.3(6) . . ?
C26 C25 C29 108.0 . . ?
C26 C25 Mo2 68.8(7) . . ?
C29 C25 Mo2 75.5(7) . . ?
C26 C25 H25 126.0 . . ?
C29 C25 H25 126.0 . . ?
Mo2 C25 H25 121.4 . . ?
C27 C26 C25 108.0 . . ?
C27 C26 Mo2 72.3(8) . . ?
C25 C26 Mo2 76.2(8) . . ?
C27 C26 H26 126.0 . . ?
C25 C26 H26 126.0 . . ?
Mo2 C26 H26 117.4 . . ?
C28 C27 C26 108.0 . . ?
C28 C27 Mo2 76.4(8) . . ?
C26 C27 Mo2 71.9(8) . . ?
C28 C27 H27 126.0 . . ?
C26 C27 H27 126.0 . . ?
Mo2 C27 H27 117.7 . . ?
C29 C28 C27 108.0 . . ?
C29 C28 Mo2 75.2(8) . . ?
C27 C28 Mo2 68.7(7) . . ?
C29 C28 H28 126.0 . . ?
C27 C28 H28 126.0 . . ?
Mo2 C28 H28 121.8 . . ?
C28 C29 C25 108.0 . . ?
C28 C29 Mo2 71.0(8) . . ?
C25 C29 Mo2 70.6(8) . . ?
C28 C29 H29 126.0 . . ?
C25 C29 H29 126.0 . . ?
Mo2 C29 H29 124.0 . . ?
C32 Mo3 C31 89.7(5) . . ?
C32 Mo3 C35 92.6(5) . . ?
C31 Mo3 C35 124.8(4) . . ?
C32 Mo3 C34 103.9(5) . . ?
C31 Mo3 C34 88.3(4) . . ?
C35 Mo3 C34 37.9(4) . . ?
C32 Mo3 C33 138.1(5) . . ?
C31 Mo3 C33 82.6(4) . . ?
C35 Mo3 C33 60.3(5) . . ?
C34 Mo3 C33 35.1(5) . . ?
C32 Mo3 C36 118.1(5) . . ?
C31 Mo3 C36 142.0(4) . . ?
C35 Mo3 C36 37.0(4) . . ?
C34 Mo3 C36 61.5(4) . . ?
C33 Mo3 C36 59.4(4) . . ?
C32 Mo3 C37 151.9(5) . . ?
C31 Mo3 C37 111.3(5) . . ?
C35 Mo3 C37 60.4(5) . . ?
C34 Mo3 C37 60.2(4) . . ?
C33 Mo3 C37 36.0(4) . . ?
C36 Mo3 C37 35.0(4) . . ?
C32 Mo3 P4 117.2(6) . . ?
C31 Mo3 P4 84.9(5) . . ?
C35 Mo3 P4 139.2(6) . . ?
C34 Mo3 P4 138.2(6) . . ?
C33 Mo3 P4 103.2(6) . . ?
C36 Mo3 P4 102.2(5) . . ?
C37 Mo3 P4 84.2(5) . . ?
C32 Mo3 P3 68.6(5) . . ?
C31 Mo3 P3 75.9(4) . . ?
C35 Mo3 P3 153.1(5) . . ?
C34 Mo3 P3 162.2(5) . . ?
C33 Mo3 P3 145.9(5) . . ?
C36 Mo3 P3 136.3(5) . . ?
C37 Mo3 P3 133.0(5) . . ?
P4 Mo3 P3 49.3(5) . . ?
C32 Mo3 Mo4 81.7(4) . . ?
C31 Mo3 Mo4 124.8(3) . . ?
C35 Mo3 Mo4 110.0(4) . . ?
C34 Mo3 Mo4 146.7(3) . . ?
C33 Mo3 Mo4 135.3(4) . . ?
C36 Mo3 Mo4 86.7(3) . . ?
C37 Mo3 Mo4 99.7(4) . . ?
P4 Mo3 Mo4 53.4(4) . . ?
P3 Mo3 Mo4 50.2(4) . . ?
C42 Mo4 C41 84.2(4) . . ?
C42 Mo4 C44 114.1(4) . . ?
C41 Mo4 C44 141.8(5) . . ?
C42 Mo4 C45 87.4(4) . . ?
C41 Mo4 C45 117.2(4) . . ?
C44 Mo4 C45 37.7(4) . . ?
C42 Mo4 C43 148.6(5) . . ?
C41 Mo4 C43 112.6(5) . . ?
C44 Mo4 C43 37.2(4) . . ?
C45 Mo4 C43 61.5(4) . . ?
C42 Mo4 C46 97.5(4) . . ?
C41 Mo4 C46 83.2(4) . . ?
C44 Mo4 C46 62.1(4) . . ?
C45 Mo4 C46 36.7(4) . . ?
C43 Mo4 C46 60.6(4) . . ?
C42 Mo4 C47 132.9(5) . . ?
C41 Mo4 C47 81.0(4) . . ?
C44 Mo4 C47 61.7(4) . . ?
C45 Mo4 C47 61.3(4) . . ?
C43 Mo4 C47 35.9(4) . . ?
C46 Mo4 C47 36.5(4) . . ?
C42 Mo4 P3 121.8(5) . . ?
C41 Mo4 P3 89.2(4) . . ?
C44 Mo4 P3 106.2(5) . . ?
C45 Mo4 P3 143.6(5) . . ?
C43 Mo4 P3 86.1(5) . . ?
C46 Mo4 P3 139.0(5) . . ?
C47 Mo4 P3 102.5(5) . . ?
C42 Mo4 P4 72.9(5) . . ?
C41 Mo4 P4 76.1(4) . . ?
C44 Mo4 P4 140.0(4) . . ?
C45 Mo4 P4 155.4(5) . . ?
C43 Mo4 P4 135.4(5) . . ?
C46 Mo4 P4 157.9(5) . . ?
C47 Mo4 P4 143.3(5) . . ?
P3 Mo4 P4 49.5(5) . . ?
C42 Mo4 Mo3 85.8(3) . . ?
C41 Mo4 Mo3 126.3(3) . . ?
C44 Mo4 Mo3 89.7(3) . . ?
C45 Mo4 Mo3 114.8(3) . . ?
C43 Mo4 Mo3 102.7(3) . . ?
C46 Mo4 Mo3 150.5(3) . . ?
C47 Mo4 Mo3 137.7(4) . . ?
P3 Mo4 Mo3 53.5(4) . . ?
P4 Mo4 Mo3 50.6(3) . . ?
P4 P3 Mo4 68.0(7) . . ?
P4 P3 Mo3 62.9(5) . . ?
Mo4 P3 Mo3 76.2(4) . . ?
P4 P3 Ag1 122.4(6) . . ?
Mo4 P3 Ag1 151.7(7) . . ?
Mo3 P3 Ag1 132.0(7) . . ?
P3 P4 Mo3 67.8(5) . . ?
P3 P4 Mo4 62.5(6) . . ?
Mo3 P4 Mo4 76.0(4) . . ?
P3 P4 Ag1 116.4(7) . 2_675 ?
Mo3 P4 Ag1 148.3(8) . 2_675 ?
Mo4 P4 Ag1 135.1(6) . 2_675 ?
O21 C21 Mo2 173(3) . . ?
O22 C22 Mo2 174(2) . . ?
O11 C11 Mo1 166(2) . . ?
O12 C12 Mo1 178(2) . . ?
C11A Mo1A C12A 87.3(9) . . ?
C11A Mo1A C13 81.9(7) . . ?
C12A Mo1A C13 130.1(7) . . ?
C11A Mo1A C17 87.5(6) . . ?
C12A Mo1A C17 93.7(7) . . ?
C13 Mo1A C17 37.5(4) . . ?
C11A Mo1A C14 113.1(7) . . ?
C12A Mo1A C14 144.4(7) . . ?
C13 Mo1A C14 36.3(5) . . ?
C17 Mo1A C14 60.3(4) . . ?
C11A Mo1A C16 120.6(6) . . ?
C12A Mo1A C16 86.0(7) . . ?
C13 Mo1A C16 59.7(4) . . ?
C17 Mo1A C16 34.5(4) . . ?
C14 Mo1A C16 58.6(4) . . ?
C11A Mo1A C15 139.9(6) . . ?
C12A Mo1A C15 112.8(7) . . ?
C13 Mo1A C15 58.4(5) . . ?
C17 Mo1A C15 58.1(4) . . ?
C14 Mo1A C15 34.0(4) . . ?
C16 Mo1A C15 35.0(3) . . ?
C11A Mo1A P1A 96.8(6) . . ?
C12A Mo1A P1A 119.4(7) . . ?
C13 Mo1A P1A 110.2(5) . . ?
C17 Mo1A P1A 146.7(5) . . ?
C14 Mo1A P1A 88.1(5) . . ?
C16 Mo1A P1A 136.5(4) . . ?
C15 Mo1A P1A 101.9(4) . . ?
C11A Mo1A P2A 97.0(7) . . ?
C12A Mo1A P2A 70.2(7) . . ?
C13 Mo1A P2A 159.3(6) . . ?
C17 Mo1A P2A 163.0(5) . . ?
C14 Mo1A P2A 131.0(5) . . ?
C16 Mo1A P2A 134.6(5) . . ?
C15 Mo1A P2A 122.1(5) . . ?
P1A Mo1A P2A 49.2(5) . . ?
P2A P1A Mo1A 74.6(6) . . ?
P2A P1A Mo2A 57.2(6) . . ?
Mo1A P1A Mo2A 86.1(4) . . ?
P2A P1A Mo2C 67.3(6) . . ?
Mo1A P1A Mo2C 87.5(4) . . ?
Mo2A P1A Mo2C 10.19(15) . . ?
P2A P1A Ag1 108.2(7) . . ?
Mo1A P1A Ag1 134.6(4) . . ?
Mo2A P1A Ag1 134.8(6) . . ?
Mo2C P1A Ag1 136.5(6) . . ?
C21A Mo2A C22A 85(2) . . ?
C21A Mo2A C29A 127(2) . . ?
C22A Mo2A C29A 118.9(11) . . ?
C21A Mo2A P2A 139(2) . . ?
C22A Mo2A P2A 90.9(9) . . ?
C29A Mo2A P2A 90.3(9) . . ?
C21A Mo2A C25A 113(2) . . ?
C22A Mo2A C25A 85.5(11) . . ?
C29A Mo2A C25A 37.1(5) . . ?
P2A Mo2A C25A 107.8(11) . . ?
C21A Mo2A C28A 96(2) . . ?
C22A Mo2A C28A 143.8(10) . . ?
C29A Mo2A C28A 36.5(4) . . ?
P2A Mo2A C28A 110.3(10) . . ?
C25A Mo2A C28A 60.6(6) . . ?
C21A Mo2A C26A 77(2) . . ?
C22A Mo2A C26A 86.2(11) . . ?
C29A Mo2A C26A 60.4(7) . . ?
P2A Mo2A C26A 143.8(12) . . ?
C25A Mo2A C26A 36.0(6) . . ?
C28A Mo2A C26A 59.2(6) . . ?
C21A Mo2A C27A 67(2) . . ?
C22A Mo2A C27A 117.7(12) . . ?
C29A Mo2A C27A 59.8(6) . . ?
P2A Mo2A C27A 145.5(10) . . ?
C25A Mo2A C27A 59.5(7) . . ?
C28A Mo2A C27A 35.2(4) . . ?
C26A Mo2A C27A 35.0(5) . . ?
C21A Mo2A P1A 83(2) . . ?
C22A Mo2A P1A 76.7(8) . . ?
C29A Mo2A P1A 144.4(9) . . ?
P2A Mo2A P1A 56.0(6) . . ?
C25A Mo2A P1A 155.1(9) . . ?
C28A Mo2A P1A 139.4(8) . . ?
C26A Mo2A P1A 154.9(9) . . ?
C27A Mo2A P1A 144.8(9) . . ?
P1A P2A Mo2A 66.9(7) . . ?
P1A P2A Mo2C 62.8(6) . . ?
Mo2A P2A Mo2C 4.3(2) . . ?
P1A P2A Mo1A 56.2(6) . . ?
Mo2A P2A Mo1A 81.5(7) . . ?
Mo2C P2A Mo1A 78.2(6) . . ?
C29A C25A C26A 108.0 . . ?
C29A C25A Mo2A 70.7(12) . . ?
C26A C25A Mo2A 75.7(13) . . ?
C29A C25A Mo2C 75.8(12) . . ?
C26A C25A Mo2C 64.6(13) . . ?
Mo2A C25A Mo2C 11.2(2) . . ?
C29A C25A H25B 126.0 . . ?
C26A C25A H25B 126.0 . . ?
Mo2A C25A H25B 119.4 . . ?
Mo2C C25A H25B 125.1 . . ?
C27A C26A C25A 108.0 . . ?
C27A C26A Mo2C 69.3(13) . . ?
C25A C26A Mo2C 79.0(14) . . ?
C27A C26A Mo2A 74.0(12) . . ?
C25A C26A Mo2A 68.3(13) . . ?
Mo2C C26A Mo2A 10.8(3) . . ?
C27A C26A H26B 126.0 . . ?
C25A C26A H26B 126.0 . . ?
Mo2C C26A H26B 117.5 . . ?
Mo2A C26A H26B 123.4 . . ?
C26A C27A C28A 108.0 . . ?
C26A C27A Mo2C 72.0(14) . . ?
C28A C27A Mo2C 78.0(13) . . ?
C26A C27A Mo2A 71.0(13) . . ?
C28A C27A Mo2A 69.7(12) . . ?
Mo2C C27A Mo2A 9.8(2) . . ?
C26A C27A H27B 126.0 . . ?
C28A C27A H27B 126.0 . . ?
Mo2C C27A H27B 116.1 . . ?
Mo2A C27A H27B 124.9 . . ?
C27A C28A C29A 108.0 . . ?
C27A C28A Mo2C 64.8(13) . . ?
C29A C28A Mo2C 77.6(13) . . ?
C27A C28A Mo2A 75.1(13) . . ?
C29A C28A Mo2A 68.5(13) . . ?
Mo2C C28A Mo2A 11.5(2) . . ?
C27A C28A H28B 126.0 . . ?
C29A C28A H28B 126.0 . . ?
Mo2C C28A H28B 123.0 . . ?
Mo2A C28A H28B 122.0 . . ?
C25A C29A C28A 108.0 . . ?
C25A C29A Mo2A 72.3(14) . . ?
C28A C29A Mo2A 75.1(13) . . ?
C25A C29A Mo2C 69.7(13) . . ?
C28A C29A Mo2C 67.5(12) . . ?
Mo2A C29A Mo2C 10.2(2) . . ?
C25A C29A H29B 126.0 . . ?
C28A C29A H29B 126.0 . . ?
Mo2A C29A H29B 118.6 . . ?
Mo2C C29A H29B 128.3 . . ?
C31 Mo3A C32 86.0(5) . . ?
C31 Mo3A C33 82.7(4) . . ?
C32 Mo3A C33 121.8(5) . . ?
C31 Mo3A C37 114.8(5) . . ?
C32 Mo3A C37 135.0(5) . . ?
C33 Mo3A C37 35.6(4) . . ?
C31 Mo3A C34 83.2(4) . . ?
C32 Mo3A C34 89.4(4) . . ?
C33 Mo3A C34 32.6(4) . . ?
C37 Mo3A C34 56.8(4) . . ?
C31 Mo3A C36 137.1(4) . . ?
C32 Mo3A C36 104.0(5) . . ?
C33 Mo3A C36 56.4(4) . . ?
C37 Mo3A C36 33.9(4) . . ?
C34 Mo3A C36 55.8(3) . . ?
C31 Mo3A P4A 96.1(5) . . ?
C32 Mo3A P4A 126.0(5) . . ?
C33 Mo3A P4A 111.9(6) . . ?
C37 Mo3A P4A 92.6(5) . . ?
C34 Mo3A P4A 144.5(5) . . ?
C36 Mo3A P4A 109.7(5) . . ?
C31 Mo3A C35 113.7(4) . . ?
C32 Mo3A C35 79.1(4) . . ?
C33 Mo3A C35 55.0(4) . . ?
C37 Mo3A C35 56.2(4) . . ?
C34 Mo3A C35 33.3(3) . . ?
C36 Mo3A C35 33.5(4) . . ?
P4A Mo3A C35 143.2(5) . . ?
C31 Mo3A P3A 80.5(5) . . ?
C32 Mo3A P3A 78.1(5) . . ?
C33 Mo3A P3A 152.8(5) . . ?
C37 Mo3A P3A 141.6(5) . . ?
C34 Mo3A P3A 160.1(5) . . ?
C36 Mo3A P3A 142.2(5) . . ?
P4A Mo3A P3A 49.6(5) . . ?
C35 Mo3A P3A 152.1(5) . . ?
C31 Mo3A Mo4A 132.0(3) . . ?
C32 Mo3A Mo4A 86.5(3) . . ?
C33 Mo3A Mo4A 139.1(4) . . ?
C37 Mo3A Mo4A 103.6(4) . . ?
C34 Mo3A Mo4A 144.0(3) . . ?
C36 Mo3A Mo4A 90.6(3) . . ?
P4A Mo3A Mo4A 53.0(4) . . ?
C35 Mo3A Mo4A 111.2(3) . . ?
P3A Mo3A Mo4A 51.6(4) . . ?
C41 Mo4A C42 95.2(5) . . ?
C41 Mo4A C46 88.9(4) . . ?
C42 Mo4A C46 95.4(4) . . ?
C41 Mo4A C47 87.1(5) . . ?
C42 Mo4A C47 130.7(4) . . ?
C46 Mo4A C47 35.3(4) . . ?
C41 Mo4A C43 117.3(5) . . ?
C42 Mo4A C43 133.7(4) . . ?
C46 Mo4A C43 56.3(4) . . ?
C47 Mo4A C43 33.7(4) . . ?
C41 Mo4A P3A 91.4(4) . . ?
C42 Mo4A P3A 123.8(5) . . ?
C46 Mo4A P3A 140.6(5) . . ?
C47 Mo4A P3A 105.3(5) . . ?
C43 Mo4A P3A 89.3(4) . . ?
C41 Mo4A C45 120.4(5) . . ?
C42 Mo4A C45 81.0(4) . . ?
C46 Mo4A C45 33.8(4) . . ?
C47 Mo4A C45 56.6(4) . . ?
C43 Mo4A C45 54.8(4) . . ?
P3A Mo4A C45 139.3(4) . . ?
C41 Mo4A P4A 78.8(4) . . ?
C42 Mo4A P4A 77.3(5) . . ?
C46 Mo4A P4A 165.0(5) . . ?
C47 Mo4A P4A 150.0(5) . . ?
C43 Mo4A P4A 137.6(5) . . ?
P3A Mo4A P4A 49.5(5) . . ?
C45 Mo4A P4A 152.3(5) . . ?
C41 Mo4A C44 141.7(5) . . ?
C42 Mo4A C44 101.9(4) . . ?
C46 Mo4A C44 55.8(4) . . ?
C47 Mo4A C44 55.9(4) . . ?
C43 Mo4A C44 32.8(4) . . ?
P3A Mo4A C44 106.4(4) . . ?
C45 Mo4A C44 32.9(4) . . ?
P4A Mo4A C44 138.2(4) . . ?
C41 Mo4A Mo3A 129.7(4) . . ?
C42 Mo4A Mo3A 81.8(3) . . ?
C46 Mo4A Mo3A 141.4(3) . . ?
C47 Mo4A Mo3A 131.9(4) . . ?
C43 Mo4A Mo3A 98.6(3) . . ?
P3A Mo4A Mo3A 53.0(4) . . ?
C45 Mo4A Mo3A 108.8(3) . . ?
P4A Mo4A Mo3A 51.4(3) . . ?
C44 Mo4A Mo3A 86.9(3) . . ?
P4A P3A Ag1 131.8(6) . . ?
P4A P3A Mo4A 66.4(7) . . ?
Ag1 P3A Mo4A 151.5(8) . . ?
P4A P3A Mo3A 63.8(5) . . ?
Ag1 P3A Mo3A 130.2(7) . . ?
Mo4A P3A Mo3A 75.4(4) . . ?
P3A P4A Ag1 114.8(7) . 2_675 ?
P3A P4A Mo3A 66.6(5) . . ?
Ag1 P4A Mo3A 144.5(7) 2_675 . ?
P3A P4A Mo4A 64.1(6) . . ?
Ag1 P4A Mo4A 138.8(6) 2_675 . ?
Mo3A P4A Mo4A 75.6(3) . . ?
O11A C11A Mo1A 171.2(17) . . ?
O12A C12A Mo1A 173.4(18) . . ?
O21A C21A Mo2C 164(6) . . ?
O21A C21A Mo2A 167(6) . . ?
Mo2C C21A Mo2A 6.4(9) . . ?
C21A O21A Mo2C 8(3) . . ?
O22A C22A Mo2A 176(2) . . ?
O22A C22A Mo2C 166(2) . . ?
Mo2A C22A Mo2C 13.0(3) . . ?
P2B Mo2B C27B 95.0(11) . . ?
P2B Mo2B C26B 113.3(13) . . ?
C27B Mo2B C26B 36.2(6) . . ?
P2B Mo2B C28B 112.6(11) . . ?
C27B Mo2B C28B 34.7(6) . . ?
C26B Mo2B C28B 57.9(7) . . ?
P2B Mo2B C25B 147.8(12) . . ?
C27B Mo2B C25B 57.9(7) . . ?
C26B Mo2B C25B 34.6(6) . . ?
C28B Mo2B C25B 55.8(6) . . ?
P2B Mo2B C29B 145.4(11) . . ?
C27B Mo2B C29B 56.4(6) . . ?
C26B Mo2B C29B 56.3(6) . . ?
C28B Mo2B C29B 32.8(4) . . ?
C25B Mo2B C29B 32.8(4) . . ?
C29B C25B C26B 108.0 . . ?
C29B C25B Mo2B 77.4(15) . . ?
C26B C25B Mo2B 66.0(14) . . ?
C29B C25B H25A 126.0 . . ?
C26B C25B H25A 126.0 . . ?
Mo2B C25B H25A 122.1 . . ?
C25B C26B C27B 108.0 . . ?
C25B C26B Mo2B 79.4(15) . . ?
C27B C26B Mo2B 71.7(18) . . ?
C25B C26B H26A 126.0 . . ?
C27B C26B H26A 126.0 . . ?
Mo2B C26B H26A 115.0 . . ?
C28B C27B C26B 108.0 . . ?
C28B C27B Mo2B 79.3(15) . . ?
C26B C27B Mo2B 72.0(18) . . ?
C28B C27B H27A 126.0 . . ?
C26B C27B H27A 126.0 . . ?
Mo2B C27B H27A 114.9 . . ?
C27B C28B C29B 108.0 . . ?
C27B C28B Mo2B 66.0(14) . . ?
C29B C28B Mo2B 77.6(15) . . ?
C27B C28B H28A 126.0 . . ?
C29B C28B H28A 126.0 . . ?
Mo2B C28B H28A 121.9 . . ?
C25B C29B C28B 108.0 . . ?
C25B C29B Mo2B 69.8(16) . . ?
C28B C29B Mo2B 69.6(16) . . ?
C25B C29B H29A 126.0 . . ?
C28B C29B H29A 126.0 . . ?
Mo2B C29B H29A 126.2 . . ?
C21A Mo2C C22A 96(3) . . ?
C21A Mo2C C27A 83(3) . . ?
C22A Mo2C C27A 127.9(13) . . ?
C21A Mo2C C26A 94(3) . . ?
C22A Mo2C C26A 89.9(12) . . ?
C27A Mo2C C26A 38.7(6) . . ?
C21A Mo2C O21A 8(3) . . ?
C22A Mo2C O21A 103.0(11) . . ?
C27A Mo2C O21A 76.9(11) . . ?
C26A Mo2C O21A 91.5(13) . . ?
C21A Mo2C C28A 112(3) . . ?
C22A Mo2C C28A 140.7(11) . . ?
C27A Mo2C C28A 37.2(5) . . ?
C26A Mo2C C28A 62.0(7) . . ?
O21A Mo2C C28A 104.5(11) . . ?
C21A Mo2C C25A 130(3) . . ?
C22A Mo2C C25A 81.7(11) . . ?
C27A Mo2C C25A 61.6(8) . . ?
C26A Mo2C C25A 36.4(6) . . ?
O21A Mo2C C25A 127.9(13) . . ?
C28A Mo2C C25A 59.3(6) . . ?
C21A Mo2C C29A 143(3) . . ?
C22A Mo2C C29A 108.2(11) . . ?
C27A Mo2C C29A 60.2(6) . . ?
C26A Mo2C C29A 59.8(7) . . ?
O21A Mo2C C29A 136.6(11) . . ?
C28A Mo2C C29A 34.8(4) . . ?
C25A Mo2C C29A 34.5(4) . . ?
C21A Mo2C P1A 87(3) . . ?
C22A Mo2C P1A 73.2(8) . . ?
C27A Mo2C P1A 157.5(11) . . ?
C26A Mo2C P1A 163.0(11) . . ?
O21A Mo2C P1A 91.5(8) . . ?
C28A Mo2C P1A 133.0(8) . . ?
C25A Mo2C P1A 137.5(10) . . ?
C29A Mo2C P1A 125.9(8) . . ?
C21A Mo2C P2A 137(3) . . ?
C22A Mo2C P2A 78.6(9) . . ?
C27A Mo2C P2A 133.9(10) . . ?
C26A Mo2C P2A 128.7(12) . . ?
O21A Mo2C P2A 139.8(9) . . ?
C28A Mo2C P2A 97.4(9) . . ?
C25A Mo2C P2A 92.3(11) . . ?
C29A Mo2C P2A 76.7(8) . . ?
P1A Mo2C P2A 49.9(5) . . ?
C14 C13 C17 107.0(10) . . ?
C14 C13 Mo1A 75.8(6) . . ?
C17 C13 Mo1A 72.0(7) . . ?
C14 C13 Mo1 69.9(6) . . ?
C17 C13 Mo1 70.8(6) . . ?
C14 C13 H13A 126.5 . . ?
C17 C13 H13A 126.5 . . ?
Mo1 C13 H13A 126.5 . . ?
C15 C14 C13 108.4(9) . . ?
C15 C14 Mo1A 77.5(6) . . ?
C13 C14 Mo1A 68.0(6) . . ?
C15 C14 Mo1 70.2(6) . . ?
C13 C14 Mo1 76.3(6) . . ?
C15 C14 H14A 125.5 . . ?
C13 C14 H14A 125.5 . . ?
Mo1 C14 H14A 125.5 . . ?
C14 C15 C16 108.0(10) . . ?
C14 C15 Mo1 75.4(6) . . ?
C16 C15 Mo1 72.2(5) . . ?
C14 C15 Mo1A 68.5(6) . . ?
C16 C15 Mo1A 70.4(5) . . ?
C14 C15 H15A 125.6 . . ?
C16 C15 H15A 125.6 . . ?
Mo1 C15 H15A 125.6 . . ?
C17 C16 C15 107.3(9) . . ?
C17 C16 Mo1 76.5(5) . . ?
C15 C16 Mo1 71.5(5) . . ?
C17 C16 Mo1A 67.2(5) . . ?
C15 C16 Mo1A 74.6(5) . . ?
C17 C16 H16A 125.9 . . ?
C15 C16 H16A 125.9 . . ?
Mo1 C16 H16A 125.9 . . ?
C16 C17 C13 109.2(9) . . ?
C16 C17 Mo1A 78.3(6) . . ?
C13 C17 Mo1A 70.4(6) . . ?
C16 C17 Mo1 69.9(5) . . ?
C13 C17 Mo1 75.1(6) . . ?
C16 C17 H17A 125.3 . . ?
C13 C17 H17A 125.3 . . ?
Mo1 C17 H17A 125.3 . . ?
O31 C31 Mo3A 175.3(10) . . ?
O31 C31 Mo3 172.2(8) . . ?
O32 C32 Mo3 160.2(15) . . ?
O32A C32 Mo3A 164.8(18) . . ?
C34 C33 C37 109.8(10) . . ?
C34 C33 Mo3 67.9(5) . . ?
C37 C33 Mo3 74.9(5) . . ?
C34 C33 Mo3A 76.9(6) . . ?
C37 C33 Mo3A 72.3(5) . . ?
C34 C33 H33A 125.1 . . ?
C37 C33 H33A 125.1 . . ?
Mo3 C33 H33A 125.1 . . ?
C33 C34 C35 108.4(10) . . ?
C33 C34 Mo3 77.1(6) . . ?
C35 C34 Mo3 70.3(6) . . ?
C33 C34 Mo3A 70.5(6) . . ?
C35 C34 Mo3A 74.9(6) . . ?
C33 C34 H34A 125.5 . . ?
C35 C34 H34A 125.5 . . ?
Mo3 C34 H34A 125.5 . . ?
C34 C35 C36 107.8(11) . . ?
C34 C35 Mo3 71.7(6) . . ?
C36 C35 Mo3 76.6(6) . . ?
C34 C35 Mo3A 71.8(6) . . ?
C36 C35 Mo3A 71.9(6) . . ?
C34 C35 H35A 125.7 . . ?
C36 C35 H35A 125.7 . . ?
Mo3 C35 H35A 125.7 . . ?
C37 C36 C35 108.1(10) . . ?
C37 C36 Mo3 75.4(5) . . ?
C35 C36 Mo3 66.4(5) . . ?
C37 C36 Mo3A 69.9(5) . . ?
C35 C36 Mo3A 74.6(5) . . ?
C37 C36 H36A 125.9 . . ?
C35 C36 H36A 125.9 . . ?
Mo3 C36 H36A 125.9 . . ?
C36 C37 C33 105.9(11) . . ?
C36 C37 Mo3A 76.2(5) . . ?
C33 C37 Mo3A 72.1(5) . . ?
C36 C37 Mo3 69.6(5) . . ?
C33 C37 Mo3 69.1(5) . . ?
C36 C37 H37A 127.0 . . ?
C33 C37 H37A 127.0 . . ?
Mo3 C37 H37A 127.0 . . ?
O41 C41 Mo4A 178.1(9) . . ?
O41 C41 Mo4 174.9(8) . . ?
O42 C42 Mo4A 175.0(8) . . ?
O42 C42 Mo4 172.4(8) . . ?
C47 C43 C44 110.7(10) . . ?
C47 C43 Mo4 74.9(6) . . ?
C44 C43 Mo4 70.6(5) . . ?
C47 C43 Mo4A 69.8(6) . . ?
C44 C43 Mo4A 77.6(6) . . ?
C47 C43 H43A 124.6 . . ?
C44 C43 H43A 124.6 . . ?
Mo4 C43 H43A 124.6 . . ?
C43 C44 C45 105.8(10) . . ?
C43 C44 Mo4 72.2(6) . . ?
C45 C44 Mo4 71.1(6) . . ?
C43 C44 Mo4A 69.6(6) . . ?
C45 C44 Mo4A 70.4(6) . . ?
C43 C44 H44A 126.9 . . ?
C45 C44 H44A 126.9 . . ?
Mo4 C44 H44A 126.9 . . ?
C46 C45 C44 108.9(10) . . ?
C46 C45 Mo4 74.0(5) . . ?
C44 C45 Mo4 71.1(5) . . ?
C46 C45 Mo4A 68.6(5) . . ?
C44 C45 Mo4A 76.7(5) . . ?
C46 C45 H45A 125.4 . . ?
C44 C45 H45A 125.4 . . ?
Mo4 C45 H45A 125.4 . . ?
C45 C46 C47 108.0(10) . . ?
C45 C46 Mo4 69.4(5) . . ?
C47 C46 Mo4 73.1(5) . . ?
C45 C46 Mo4A 77.6(5) . . ?
C47 C46 Mo4A 72.7(5) . . ?
C45 C46 H46A 125.9 . . ?
C47 C46 H46A 125.9 . . ?
Mo4 C46 H46A 125.9 . . ?
C43 C47 C46 106.6(10) . . ?
C43 C47 Mo4 69.2(5) . . ?
C46 C47 Mo4 70.4(5) . . ?
C43 C47 Mo4A 76.6(5) . . ?
C46 C47 Mo4A 72.0(5) . . ?
C43 C47 H47A 126.7 . . ?
C46 C47 H47A 126.7 . . ?
Mo4 C47 H47A 126.7 . . ?
C113 N1 C111 116.6(6) . . ?
C113 N1 Ag1 120.1(5) . . ?
C111 N1 Ag1 121.3(5) . . ?
N1 C111 C112 122.4(9) . . ?
N1 C111 H11A 118.8 . . ?
C112 C111 H11A 118.8 . . ?
C141 C112 C111 119(2) . . ?
C132 C112 C111 116.2(16) 2_666 . ?
C132 C112 C115 37.0(16) 2_666 . ?
C111 C112 C115 119.5(12) . . ?
C141 C112 H11C 121.1 . . ?
C132 C112 H11C 121.3 2_666 . ?
C111 C112 H11C 119.5 . . ?
C115 C112 H11C 117.1 . . ?
N1 C113 C114 123.9(7) . . ?
N1 C113 H11B 118.0 . . ?
C114 C113 H11B 118.0 . . ?
C113 C114 C141 117(2) . . ?
C113 C114 C115 119.9(11) . . ?
C113 C114 C132 111.8(14) . 2_666 ?
C115 C114 C132 35.2(15) . 2_666 ?
C113 C114 H11D 121.0 . . ?
C141 C114 H11D 122.1 . . ?
C115 C114 H11D 116.0 . . ?
C132 C114 H11D 124.5 2_666 . ?
C132 C115 C114 79(2) 2_666 . ?
C132 C115 C112 66(2) 2_666 . ?
C114 C115 C112 111.0(15) . . ?
C132 C115 C116 109(2) 2_666 . ?
C114 C115 C116 124.8(16) . . ?
C112 C115 C116 122.3(16) . . ?
C132 C115 C131 58(2) 2_666 2_666 ?
C114 C115 C131 109.3(15) . 2_666 ?
C112 C115 C131 99.9(16) . 2_666 ?
C116 C115 C131 51.0(13) . 2_666 ?
C117 C116 C131 106(2) . 2_666 ?
C117 C116 C115 179(3) . . ?
C131 C116 C115 72.7(18) 2_666 . ?
C117 C116 C132 153(3) . 2_666 ?
C131 C116 C132 47.3(15) 2_666 2_666 ?
C115 C116 C132 25.4(13) . 2_666 ?
C116 C117 C118 172(3) . . ?
C116 C117 C130 76(2) . 2_666 ?
C118 C117 C130 101.8(18) . 2_666 ?
C123 C118 C117 120(2) . . ?
C123 C118 C119 116(2) . . ?
C117 C118 C119 122(2) . . ?
C120 C119 C118 123(2) . . ?
C120 C119 H119 118.5 . . ?
C118 C119 H119 118.5 . . ?
C119 C120 C121 120(2) . . ?
C119 C120 H12C 119.8 . . ?
C121 C120 H12C 119.8 . . ?
C120 C121 C122 119(2) . . ?
C120 C121 C124 122(2) . . ?
C122 C121 C124 119(2) . . ?
C123 C122 C121 120(3) . . ?
C123 C122 C129 82(2) . 2_666 ?
C121 C122 C129 105(2) . 2_666 ?
C123 C122 H12A 120.1 . . ?
C121 C122 H12A 120.1 . . ?
C129 C122 H12A 82.5 2_666 . ?
C122 C123 C118 120(3) . . ?
C122 C123 C128 99(2) . 2_666 ?
C118 C123 C128 101(3) . 2_666 ?
C122 C123 H12B 120.0 . . ?
C118 C123 H12B 120.0 . . ?
C128 C123 H12B 70.3 2_666 . ?
C125 C124 C129 120.0 . . ?
C125 C124 C121 119.2(14) . . ?
C129 C124 C121 120.7(14) . . ?
C124 C125 C126 120.0 . . ?
C124 C125 H12F 120.0 . . ?
C126 C125 H12F 120.0 . . ?
C125 C126 C127 120.0 . . ?
C125 C126 H12G 120.0 . . ?
C127 C126 H12G 120.0 . . ?
C128 C127 C126 120.0 . . ?
C128 C127 C130 120.0(15) . . ?
C126 C127 C130 119.2(15) . . ?
C129 C128 C127 120.0 . . ?
C129 C128 C123 88.4(13) . 2_666 ?
C127 C128 C123 111.7(13) . 2_666 ?
C129 C128 H12D 120.0 . . ?
C127 C128 H12D 120.0 . . ?
C123 C128 H12D 70.1 2_666 . ?
C128 C129 C124 120.0 . . ?
C128 C129 C122 90.6(12) . 2_666 ?
C124 C129 C122 110.4(12) . 2_666 ?
C128 C129 H12E 120.0 . . ?
C124 C129 H12E 120.0 . . ?
C122 C129 H12E 68.9 2_666 . ?
C131 C130 C127 172(3) . . ?
C131 C130 C117 74.5(18) . 2_666 ?
C127 C130 C117 98.3(17) . 2_666 ?
C130 C131 C116 103(2) . 2_666 ?
C130 C131 C132 167(3) . . ?
C116 C131 C132 88(2) 2_666 . ?
C130 C131 C115 159(2) . 2_666 ?
C116 C131 C115 56.4(15) 2_666 2_666 ?
C132 C131 C115 31.7(15) . 2_666 ?
C115 C132 C112 77(2) 2_666 2_666 ?
C115 C132 C131 90(3) 2_666 . ?
C112 C132 C131 119(2) 2_666 . ?
C115 C132 C114 65.5(19) 2_666 2_666 ?
C112 C132 C114 110(2) 2_666 2_666 ?
C131 C132 C114 118(2) . 2_666 ?
C115 C132 C116 45.4(17) 2_666 2_666 ?
C112 C132 C116 99.7(19) 2_666 2_666 ?
C131 C132 C116 44.7(14) . 2_666 ?
C114 C132 C116 93.8(17) 2_666 2_666 ?
C112 C141 C114 119(3) . . ?
C112 C141 C142 118(4) . . ?
C114 C141 C142 118(4) . . ?
C143 C142 C141 173(5) . . ?
C142 C143 C149 175(4) . . ?
C145 C144 C149 120.0 . . ?
C145 C144 H144 120.0 . . ?
C149 C144 H144 120.0 . . ?
C144 C145 C146 120.0 . . ?
C144 C145 H14C 120.0 . . ?
C146 C145 H14C 120.0 . . ?
C145 C146 C147 120.0 . . ?
C145 C146 C146 108(3) . 2_666 ?
C147 C146 C146 124(3) . 2_666 ?
C146 C147 C148 120.0 . . ?
C146 C147 H147 120.0 . . ?
C148 C147 H147 120.0 . . ?
C149 C148 C147 120.0 . . ?
C149 C148 H14B 120.0 . . ?
C147 C148 H14B 120.0 . . ?
C148 C149 C144 120.0 . . ?
C148 C149 C143 123(2) . . ?
C144 C149 C143 117(2) . . ?
O1 Al1 O4 108.7(3) . . ?
O1 Al1 O2 108.4(3) . . ?
O4 Al1 O2 112.9(3) . . ?
O1 Al1 O3 113.6(3) . . ?
O4 Al1 O3 106.5(3) . . ?
O2 Al1 O3 106.9(3) . . ?
C11T O1 Al1 151.9(7) . . ?
C21T O2 Al1 152.2(6) . . ?
C31T O3 Al1 146.8(6) . . ?
C41T O4 Al1 151.9(6) . . ?
O1 C11T C15T 110.5(18) . . ?
O1 C11T C14T 112.4(10) . . ?
O1 C11T C13T 107.3(10) . . ?
C14T C11T C13T 114.8(14) . . ?
O1 C11T C17T 113.6(9) . . ?
C15T C11T C17T 120.3(18) . . ?
O1 C11T C12T 103.7(10) . . ?
C14T C11T C12T 108.3(13) . . ?
C13T C11T C12T 109.8(12) . . ?
O1 C11T C16T 106.7(11) . . ?
C15T C11T C16T 106.2(19) . . ?
C17T C11T C16T 97.5(12) . . ?
F123 C12T F122 108.2(19) . . ?
F123 C12T F121 111.0(17) . . ?
F122 C12T F121 102.8(15) . . ?
F123 C12T C11T 114.0(14) . . ?
F122 C12T C11T 115.1(16) . . ?
F121 C12T C11T 105.2(14) . . ?
F133 C13T F132 116.9(18) . . ?
F133 C13T F131 110.2(17) . . ?
F132 C13T F131 102.6(15) . . ?
F133 C13T C11T 110.2(15) . . ?
F132 C13T C11T 109.0(15) . . ?
F131 C13T C11T 107.4(15) . . ?
F143 C14T F142 103.0(17) . . ?
F143 C14T F141 119(2) . . ?
F142 C14T F141 97.4(17) . . ?
F143 C14T C11T 110.1(18) . . ?
F142 C14T C11T 114.0(17) . . ?
F141 C14T C11T 112.7(16) . . ?
F151 C15T C11T 106(3) . . ?
F151 C15T F153 118(3) . . ?
C11T C15T F153 110(3) . . ?
F151 C15T F152 115(3) . . ?
C11T C15T F152 106(3) . . ?
F153 C15T F152 101(2) . . ?
F163 C16T F161 111(2) . . ?
F163 C16T F162 111(2) . . ?
F161 C16T F162 107(2) . . ?
F163 C16T C11T 115(2) . . ?
F161 C16T C11T 107(2) . . ?
F162 C16T C11T 104.8(18) . . ?
F173 C17T F172 97.7(15) . . ?
F173 C17T F171 115.1(17) . . ?
F172 C17T F171 116.4(17) . . ?
F173 C17T C11T 112.2(15) . . ?
F172 C17T C11T 104.5(13) . . ?
F171 C17T C11T 110.1(14) . . ?
O2 C21T C22T 112.8(7) . . ?
O2 C21T C23T 112.5(7) . . ?
C22T C21T C23T 105.5(8) . . ?
O2 C21T C24T 109.1(7) . . ?
C22T C21T C24T 106.7(8) . . ?
C23T C21T C24T 110.0(7) . . ?
F233 C23T F232 112.9(10) . . ?
F235 C23T F234 111.5(18) . . ?
F235 C23T F236 113.1(12) . . ?
F234 C23T F236 103.9(14) . . ?
F233 C23T F231 97.0(9) . . ?
F232 C23T F231 109.5(9) . . ?
F235 C23T C21T 116.9(9) . . ?
F233 C23T C21T 118.8(9) . . ?
F232 C23T C21T 110.8(8) . . ?
F234 C23T C21T 99(2) . . ?
F236 C23T C21T 110.9(10) . . ?
F231 C23T C21T 106.4(9) . . ?
F241 C24T F242 108.4(10) . . ?
F241 C24T F243 107.7(10) . . ?
F242 C24T F243 108.8(8) . . ?
F241 C24T C21T 110.6(8) . . ?
F242 C24T C21T 113.5(8) . . ?
F243 C24T C21T 107.6(9) . . ?
F221 C22T F222 108.1(10) . . ?
F221 C22T F223 103.4(9) . . ?
F222 C22T F223 108.3(10) . . ?
F221 C22T C21T 112.1(10) . . ?
F222 C22T C21T 114.7(9) . . ?
F223 C22T C21T 109.7(9) . . ?
O3 C31T C34T 111.7(7) . . ?
O3 C31T C32T 108.8(9) . . ?
C34T C31T C32T 109.6(8) . . ?
O3 C31T C33T 109.9(7) . . ?
C34T C31T C33T 107.8(9) . . ?
C32T C31T C33T 109.0(8) . . ?
F323 C32T F321 107.5(11) . . ?
F323 C32T F322 107.6(9) . . ?
F321 C32T F322 108.3(9) . . ?
F323 C32T C31T 110.1(8) . . ?
F321 C32T C31T 110.7(9) . . ?
F322 C32T C31T 112.5(10) . . ?
F333 C33T F331 108.3(9) . . ?
F333 C33T F332 108.8(9) . . ?
F331 C33T F332 108.4(8) . . ?
F333 C33T C31T 111.0(7) . . ?
F331 C33T C31T 108.5(9) . . ?
F332 C33T C31T 111.7(9) . . ?
F343 C34T F342 106.9(8) . . ?
F343 C34T F341 106.0(9) . . ?
F342 C34T F341 106.3(8) . . ?
F343 C34T C31T 111.2(8) . . ?
F342 C34T C31T 111.7(9) . . ?
F341 C34T C31T 114.3(8) . . ?
O4 C41T C43T 107.0(12) . . ?
O4 C41T C47T 119.6(16) . . ?
O4 C41T C42T 111.4(9) . . ?
C47T C41T C42T 101.6(18) . . ?
O4 C41T C44T 110.0(9) . . ?
C43T C41T C44T 108.4(12) . . ?
C47T C41T C44T 117.7(17) . . ?
C42T C41T C44T 92.3(10) . . ?
O4 C41T C45T 108.4(12) . . ?
C43T C41T C45T 103.0(17) . . ?
C44T C41T C45T 119.2(13) . . ?
F441 C44T F443 95.4(12) . . ?
F441 C44T F442 111.4(11) . . ?
F443 C44T F442 98.0(12) . . ?
F443 C44T F461 122.8(13) . . ?
F443 C44T F462 130.1(13) . . ?
F461 C44T F462 94.1(12) . . ?
F441 C44T C41T 123.4(12) . . ?
F443 C44T C41T 109.4(10) . . ?
F442 C44T C41T 114.2(11) . . ?
F461 C44T C41T 101.6(11) . . ?
F462 C44T C41T 92.2(10) . . ?
F423 C42T F421 107.3(17) . . ?
F423 C42T F424 113.5(16) . . ?
F421 C42T F424 108.7(16) . . ?
F423 C42T C41T 114.7(15) . . ?
F421 C42T C41T 110.8(14) . . ?
F424 C42T C41T 101.7(15) . . ?
F473 C47T F472 114(3) . . ?
F473 C47T F471 112(3) . . ?
F472 C47T F471 107(3) . . ?
F473 C47T C41T 99(3) . . ?
F472 C47T C41T 120(3) . . ?
F471 C47T C41T 105(2) . . ?
F431 C43T F432 102.6(18) . . ?
F431 C43T F433 103(2) . . ?
F432 C43T F433 101.5(17) . . ?
F431 C43T C41T 115.6(18) . . ?
F432 C43T C41T 118(2) . . ?
F433 C43T C41T 114.1(18) . . ?
F451 C45T F452 106(2) . . ?
F451 C45T F453 116(2) . . ?
F452 C45T F453 112(2) . . ?
F451 C45T C41T 111(2) . . ?
F452 C45T C41T 101(2) . . ?
F453 C45T C41T 111(2) . . ?
Cl11 C1S Cl12 112.8(11) . . ?
Cl11 C1S H1SA 109.0 . . ?
Cl12 C1S H1SA 109.0 . . ?
Cl11 C1S H1SB 109.0 . . ?
Cl12 C1S H1SB 109.0 . . ?
H1SA C1S H1SB 107.8 . . ?
Cl13 C1SA Cl11 114.3(19) . . ?
Cl13 C1SA H1SC 108.7 . . ?
Cl11 C1SA H1SC 108.7 . . ?
Cl13 C1SA H1SD 108.7 . . ?
Cl11 C1SA H1SD 108.7 . . ?
H1SC C1SA H1SD 107.6 . . ?
Cl31 C3S Cl32 164(10) . . ?
Cl31 C3S H3SA 95.0 . . ?
Cl32 C3S H3SA 95.0 . . ?
Cl31 C3S H3SB 95.0 . . ?
Cl32 C3S H3SB 95.0 . . ?
H3SA C3S H3SB 103.2 . . ?
Cl22 C2S Cl21 125(3) . . ?
Cl22 C2S H2S1 106.1 . . ?
Cl21 C2S H2S1 106.1 . . ?
Cl22 C2S H2S2 106.1 . . ?
Cl21 C2S H2S2 106.1 . . ?
H2S1 C2S H2S2 106.3 . . ?

_refine_diff_density_max         2.080
_refine_diff_density_min         -1.536
_refine_diff_density_rms         0.172

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_nc41
_database_code_depnum_ccdc_archive 'CCDC 1864894'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-11-06 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT213_nc41                
;
PROBLEM: Atom C232            has ADP max/min Ratio .....        5.3 prolat
RESPONSE: the atom belongs to the disordered over two close positions 
          tert-C4F9 group.  
;
_vrf_PLAT434_nc41                
;
PROBLEM: Short Inter HL..HL Contact F12A   ..  F12C    ..       2.15 Ang.  
RESPONSE: The distances F...F are in the typical range for perfluorated 
          hydocarbons
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_structural     
'[Ag2 ((C5 H5)2 Mo2 P2 (C O)4)2 (C10 H8 N2)2](Al1 O4 C16 F36)2 * 2(C H2 Cl2)'
_chemical_formula_sum            'C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4'
_chemical_formula_weight         3624.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

_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+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   28.6833(2)
_cell_length_b                   25.7478(2)
_cell_length_c                   15.83160(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11692.14(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    131120
_cell_measurement_theta_min      2.7500
_cell_measurement_theta_max      73.6080

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.059
_exptl_crystal_F_000             7008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.247
_exptl_crystal_size_min          0.121
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 10 0.1393
-1 -1 1 0.0656
-2 -3 -10 0.1131
-1 -1 0 0.0552
1 1 0 0.0662
-13 12 1 0.1334
13 -12 -1 0.1134
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0118 0.0112 9.9957 0.1389 0.9624 0.0091
-0.9987 -0.9994 1.0001 -0.0655 0.1078 0.0061
-2.0118 -3.0127 -9.9942 -0.3392 -0.9338 0.0441
-0.9999 -1.0005 0.0006 -0.0794 0.0115 0.0052
0.9999 1.0005 -0.0006 0.0794 -0.0115 -0.0052
-12.9920 12.0079 0.9993 0.0174 0.1057 -1.0006
12.9920 -12.0079 -0.9993 -0.0174 -0.1057 1.0006
_exptl_absorpt_coefficient_mu    9.174
_exptl_absorpt_correction_T_min  0.149
_exptl_absorpt_correction_T_max  0.442
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.389
_oxdiff_exptl_absorpt_empirical_full_max 6.116
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      123(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_probe          x-ray
_diffrn_source                   'SuperNova CuK\a source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            TitanS2
_diffrn_detector_area_resol_mean 4.1818
_diffrn_reflns_number            226513
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_av_R_equivalents  0.1065
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.081
_diffrn_reflns_theta_max         73.746
_diffrn_reflns_theta_full        67.500
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             23516
_reflns_number_gt                23077
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.927
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    1.000

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0846P)²+14.7889P]
 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.650(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         23516
_refine_ls_number_parameters     1880
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1165
_refine_ls_wR_factor_gt          0.1161
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_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
Ag1 Ag 0.20837(2) 0.29357(2) 0.25040(3) 0.01874(11) Uani 1 1 d . . . . .
Ag2 Ag 0.31149(2) 0.19374(2) 0.10517(3) 0.01912(10) Uani 1 1 d . . . . .
Mo11 Mo 0.29215(2) 0.36066(2) 0.00571(4) 0.02027(12) Uani 1 1 d . . . . .
Mo12 Mo 0.20530(2) 0.29455(2) -0.03705(3) 0.02029(13) Uani 1 1 d . . . . .
Mo21 Mo 0.23473(2) 0.13188(2) 0.35237(4) 0.01852(11) Uani 1 1 d . . . . .
Mo22 Mo 0.31590(2) 0.20160(2) 0.40313(3) 0.01927(12) Uani 1 1 d . . . . .
P11 P 0.23322(6) 0.32498(6) 0.10501(12) 0.0210(3) Uani 1 1 d . . . . .
P12 P 0.27413(6) 0.26932(7) 0.04416(11) 0.0214(3) Uani 1 1 d . . . . .
P21 P 0.29527(6) 0.16710(7) 0.25742(11) 0.0202(3) Uani 1 1 d . . . . .
P22 P 0.25243(6) 0.22405(6) 0.31012(11) 0.0201(3) Uani 1 1 d . . . . .
C1 C 0.3400(3) 0.3472(3) 0.0949(5) 0.0315(16) Uani 1 1 d . . . . .
C2 C 0.3311(3) 0.3176(4) -0.0736(6) 0.0353(18) Uani 1 1 d . . . . .
C3 C 0.2341(3) 0.3214(3) -0.1434(5) 0.0311(16) Uani 1 1 d . . . . .
C4 C 0.1721(3) 0.3619(3) -0.0181(5) 0.0272(15) Uani 1 1 d . . . . .
C5 C 0.1916(3) 0.1787(3) 0.4135(5) 0.0269(14) Uani 1 1 d . . . . .
C6 C 0.1943(3) 0.1381(3) 0.2510(6) 0.0310(16) Uani 1 1 d . . . . .
C7 C 0.3614(3) 0.2399(3) 0.3310(5) 0.0316(16) Uani 1 1 d . . . . .
C8 C 0.3564(3) 0.1386(3) 0.3865(6) 0.0303(16) Uani 1 1 d . . . . .
O1 O 0.3678(3) 0.3416(3) 0.1451(5) 0.0465(17) Uani 1 1 d . . . . .
O2 O 0.3536(3) 0.2954(4) -0.1192(5) 0.060(2) Uani 1 1 d . . . . .
O3 O 0.2474(2) 0.3336(3) -0.2086(4) 0.0412(14) Uani 1 1 d . . . . .
O4 O 0.1506(2) 0.3978(3) -0.0059(4) 0.0396(14) Uani 1 1 d . . . . .
O5 O 0.1652(2) 0.2041(3) 0.4496(5) 0.0420(15) Uani 1 1 d . . . . .
O6 O 0.1713(3) 0.1403(3) 0.1922(5) 0.0477(17) Uani 1 1 d . . . . .
O7 O 0.3889(3) 0.2616(3) 0.2916(5) 0.0500(17) Uani 1 1 d . . . . .
O8 O 0.3798(2) 0.1033(3) 0.3789(5) 0.0462(17) Uani 1 1 d . . . . .
C11 C 0.2568(3) 0.4319(3) -0.0641(6) 0.0324(17) Uani 1 1 d . . . . .
H11A H 0.2281 0.4304 -0.0999 0.039 Uiso 1 1 calc R U . . .
C12 C 0.2580(3) 0.4430(3) 0.0234(6) 0.0355(18) Uani 1 1 d . . . . .
H12A H 0.2305 0.4511 0.0598 0.043 Uiso 1 1 calc R U . . .
C13 C 0.3050(4) 0.4449(3) 0.0486(7) 0.046(2) Uani 1 1 d . . . . .
H13A H 0.3167 0.4559 0.1053 0.055 Uiso 1 1 calc R U . . .
C14 C 0.3330(3) 0.4346(4) -0.0234(8) 0.047(2) Uani 1 1 d . . . . .
H14A H 0.3677 0.4376 -0.0262 0.056 Uiso 1 1 calc R U . . .
C15 C 0.3029(4) 0.4259(4) -0.0928(7) 0.042(2) Uani 1 1 d . . . . .
H15A H 0.3127 0.4209 -0.1529 0.051 Uiso 1 1 calc R U . . .
C16 C 0.1950(4) 0.2039(3) -0.0410(7) 0.044(2) Uani 1 1 d . . . . .
H16A H 0.2191 0.1773 -0.0271 0.053 Uiso 1 1 calc R U . . .
C17 C 0.1617(4) 0.2250(4) 0.0160(7) 0.046(2) Uani 1 1 d . . . . .
H17A H 0.1582 0.2155 0.0769 0.056 Uiso 1 1 calc R U . . .
C18 C 0.1318(3) 0.2583(4) -0.0305(7) 0.046(2) Uani 1 1 d . . . . .
H18A H 0.1032 0.2757 -0.0081 0.055 Uiso 1 1 calc R U . . .
C19 C 0.1467(3) 0.2584(4) -0.1160(6) 0.040(2) Uani 1 1 d . . . . .
H19A H 0.1302 0.2753 -0.1644 0.048 Uiso 1 1 calc R U . . .
C20 C 0.1853(4) 0.2240(4) -0.1219(6) 0.040(2) Uani 1 1 d . . . . .
H20A H 0.2014 0.2137 -0.1754 0.048 Uiso 1 1 calc R U . . .
C21 C 0.2314(4) 0.0442(3) 0.3249(6) 0.037(2) Uani 1 1 d . . . . .
H21A H 0.2261 0.0280 0.2683 0.044 Uiso 1 1 calc R U . . .
C22 C 0.2750(3) 0.0525(3) 0.3628(6) 0.0335(18) Uani 1 1 d . . . . .
H22A H 0.3059 0.0446 0.3369 0.040 Uiso 1 1 calc R U . . .
C23 C 0.2674(3) 0.0703(3) 0.4464(6) 0.0319(17) Uani 1 1 d . . . . .
H23A H 0.2920 0.0772 0.4898 0.038 Uiso 1 1 calc R U . . .
C24 C 0.2184(3) 0.0723(3) 0.4592(6) 0.0338(18) Uani 1 1 d . . . . .
H24A H 0.2026 0.0806 0.5139 0.041 Uiso 1 1 calc R U . . .
C25 C 0.1961(3) 0.0566(3) 0.3850(7) 0.0374(19) Uani 1 1 d . . . . .
H25A H 0.1619 0.0503 0.3782 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3552(3) 0.2375(4) 0.5149(6) 0.042(2) Uani 1 1 d . . . . .
H26A H 0.3896 0.2439 0.5179 0.050 Uiso 1 1 calc R U . . .
C27 C 0.3208(4) 0.2740(3) 0.4889(6) 0.0382(19) Uani 1 1 d . . . . .
H27A H 0.3268 0.3104 0.4697 0.046 Uiso 1 1 calc R U . . .
C28 C 0.2767(3) 0.2516(3) 0.5041(5) 0.0328(16) Uani 1 1 d . . . . .
H28A H 0.2459 0.2692 0.4957 0.039 Uiso 1 1 calc R U . . .
C29 C 0.2833(3) 0.2017(3) 0.5396(5) 0.0336(18) Uani 1 1 d . . . . .
H29A H 0.2583 0.1780 0.5609 0.040 Uiso 1 1 calc R U . . .
C30 C 0.3318(4) 0.1936(4) 0.5455(6) 0.040(2) Uani 1 1 d . . . . .
H30A H 0.3470 0.1629 0.5726 0.048 Uiso 1 1 calc R U . . .
N11 N 0.2033(2) 0.3723(2) 0.3226(4) 0.0235(12) Uani 1 1 d . . . . .
N12 N 0.1945(2) 0.6143(2) 0.5338(4) 0.0267(13) Uani 1 1 d . . . . .
N21 N -0.10799(19) 0.3045(2) 0.1051(5) 0.0270(12) Uani 1 1 d . . . . .
N22 N 0.1293(2) 0.2861(2) 0.2203(4) 0.0254(12) Uani 1 1 d . . . . .
C311 C -0.0859(3) 0.3407(3) 0.1486(7) 0.0361(19) Uani 1 1 d . . . . .
H31A H -0.1032 0.3705 0.1651 0.043 Uiso 1 1 calc R U . . .
C312 C -0.0392(3) 0.3384(3) 0.1720(7) 0.036(2) Uani 1 1 d . . . . .
H31B H -0.0249 0.3660 0.2022 0.044 Uiso 1 1 calc R U . . .
C313 C -0.0143(2) 0.2943(3) 0.1497(5) 0.0246(14) Uani 1 1 d . . . . .
C314 C -0.0364(2) 0.2559(3) 0.1045(6) 0.0266(14) Uani 1 1 d . . . . .
H31C H -0.0202 0.2254 0.0882 0.032 Uiso 1 1 calc R U . . .
C315 C -0.0832(3) 0.2628(3) 0.0829(5) 0.0265(15) Uani 1 1 d . . . . .
H31D H -0.0982 0.2365 0.0507 0.032 Uiso 1 1 calc R U . . .
C316 C 0.0358(2) 0.2903(3) 0.1735(5) 0.0225(14) Uani 1 1 d . . . . .
C317 C 0.0536(3) 0.2473(3) 0.2138(5) 0.0260(14) Uani 1 1 d . . . . .
H31E H 0.0341 0.2184 0.2256 0.031 Uiso 1 1 calc R U . . .
C318 C 0.1001(2) 0.2466(3) 0.2371(5) 0.0274(15) Uani 1 1 d . . . . .
H31F H 0.1118 0.2170 0.2661 0.033 Uiso 1 1 calc R U . . .
C319 C 0.0656(3) 0.3310(3) 0.1555(6) 0.0277(15) Uani 1 1 d . . . . .
H31G H 0.0545 0.3610 0.1271 0.033 Uiso 1 1 calc R U . . .
C320 C 0.1120(2) 0.3271(3) 0.1797(5) 0.0280(16) Uani 1 1 d . . . . .
H32A H 0.1324 0.3551 0.1668 0.034 Uiso 1 1 calc R U . . .
C411 C 0.2018(3) 0.3746(3) 0.4070(6) 0.0350(18) Uani 1 1 d . . . . .
H41A H 0.2021 0.3431 0.4382 0.042 Uiso 1 1 calc R U . . .
C412 C 0.1998(3) 0.4210(3) 0.4506(5) 0.0326(18) Uani 1 1 d . . . . .
H41B H 0.2002 0.4209 0.5106 0.039 Uiso 1 1 calc R U . . .
C413 C 0.1973(3) 0.4679(3) 0.4069(5) 0.0235(14) Uani 1 1 d . . . . .
C414 C 0.1972(3) 0.4654(3) 0.3190(5) 0.0268(15) Uani 1 1 d . . . . .
H41C H 0.1949 0.4962 0.2861 0.032 Uiso 1 1 calc R U . . .
C415 C 0.2006(3) 0.4171(3) 0.2806(5) 0.0256(14) Uani 1 1 d . . . . .
H41D H 0.2011 0.4159 0.2206 0.031 Uiso 1 1 calc R U . . .
C416 C 0.1958(3) 0.5187(3) 0.4506(5) 0.0238(14) Uani 1 1 d . . . . .
C417 C 0.2255(3) 0.5287(3) 0.5188(5) 0.0290(15) Uani 1 1 d . . . . .
H41E H 0.2465 0.5029 0.5383 0.035 Uiso 1 1 calc R U . . .
C418 C 0.2236(3) 0.5767(3) 0.5572(5) 0.0310(17) Uani 1 1 d . . . . .
H41F H 0.2442 0.5833 0.6029 0.037 Uiso 1 1 calc R U . . .
C419 C 0.1654(3) 0.5572(3) 0.4268(5) 0.0312(17) Uani 1 1 d . . . . .
H41G H 0.1442 0.5518 0.3814 0.037 Uiso 1 1 calc R U . . .
C420 C 0.1660(3) 0.6046(3) 0.4702(6) 0.0344(18) Uani 1 1 d . . . . .
H42A H 0.1449 0.6310 0.4532 0.041 Uiso 1 1 calc R U . . .
Al1 Al -0.01265(7) 0.60304(8) 0.15804(12) 0.0179(4) Uani 1 1 d . . . . .
Al2 Al -0.06246(7) 0.02671(8) 0.48746(12) 0.0206(4) Uani 1 1 d . . . . .
O11 O 0.0333(2) 0.5604(2) 0.1709(4) 0.0314(12) Uani 1 1 d . . . . .
O12 O -0.00699(19) 0.6505(2) 0.2344(3) 0.0300(12) Uani 1 1 d . . . . .
O13 O -0.0669(2) 0.5753(2) 0.1712(4) 0.0313(12) Uani 1 1 d . . . . .
O14 O -0.0099(2) 0.6253(2) 0.0552(4) 0.0285(11) Uani 1 1 d . . . . .
O21 O -0.0967(3) 0.0435(3) 0.4027(5) 0.0529(18) Uani 1 1 d . . . . .
O22 O -0.0959(3) 0.0342(4) 0.5790(5) 0.0357(19) Uani 0.7 1 d . . P A 1
O22A O -0.0731(11) 0.0574(12) 0.5816(18) 0.056(6) Uiso 0.3 1 d . . P A 2
O23 O -0.0151(3) 0.0651(3) 0.4898(6) 0.062(2) Uani 1 1 d . . . . .
O24 O -0.0517(2) -0.0381(2) 0.4818(5) 0.0422(15) Uani 1 1 d . . . . .
C111 C 0.0592(3) 0.5215(3) 0.1386(5) 0.0293(16) Uani 1 1 d . . . . .
C112 C 0.0655(5) 0.4811(4) 0.2114(8) 0.054(3) Uani 1 1 d . . . . .
C113 C 0.1087(4) 0.5427(4) 0.1192(10) 0.059(3) Uani 1 1 d . . . . .
C114 C 0.0382(4) 0.4957(4) 0.0613(6) 0.046(2) Uani 1 1 d . . . . .
F11F F 0.0546(2) 0.4484(2) 0.0453(4) 0.0476(14) Uani 1 1 d . . . . .
F11C F 0.0721(3) 0.5017(3) 0.2849(4) 0.0634(18) Uani 1 1 d . . . . .
F11B F 0.0267(3) 0.4522(3) 0.2180(5) 0.0619(18) Uani 1 1 d . . . . .
F11E F -0.0083(2) 0.4916(3) 0.0690(4) 0.0557(16) Uani 1 1 d . . . . .
F11A F 0.1014(3) 0.4489(2) 0.1953(6) 0.068(2) Uani 1 1 d . . . . .
F11D F 0.0457(3) 0.5269(3) -0.0068(4) 0.077(3) Uani 1 1 d . . . . .
F11G F 0.1053(3) 0.5867(3) 0.0742(5) 0.073(2) Uani 1 1 d . . . . .
F11I F 0.1320(2) 0.5533(3) 0.1897(7) 0.079(3) Uani 1 1 d . . . . .
F11H F 0.1323(3) 0.5103(3) 0.0672(9) 0.109(4) Uani 1 1 d . . . . .
C121 C 0.0216(3) 0.6817(4) 0.2784(6) 0.0342(18) Uani 1 1 d . . . . .
C122 C 0.0506(6) 0.6490(7) 0.3414(11) 0.055(4) Uani 0.7 1 d . . P B 1
C123 C -0.0087(6) 0.7204(8) 0.3303(15) 0.069(7) Uani 0.7 1 d . . P B 1
C124 C 0.0543(7) 0.7126(8) 0.2177(12) 0.067(6) Uani 0.7 1 d . . P B 1
C125 C 0.0200(15) 0.6632(16) 0.377(3) 0.054(9) Uiso 0.3 1 d . . P B 2
C126 C 0.0028(13) 0.7381(14) 0.272(2) 0.045(8) Uiso 0.3 1 d . . P B 2
C127 C 0.0736(13) 0.6807(15) 0.248(3) 0.049(7) Uiso 0.3 1 d . . P B 2
F12A F 0.0707(3) 0.6808(3) 0.1593(5) 0.070(2) Uani 1 1 d . . . . .
F12B F 0.0924(3) 0.7303(4) 0.2605(7) 0.092(3) Uani 1 1 d . . . . .
F12E F 0.0266(3) 0.6128(4) 0.3773(5) 0.082(2) Uani 1 1 d . . . . .
F12F F 0.0667(4) 0.6797(4) 0.4062(6) 0.100(3) Uani 1 1 d . . . . .
F12I F -0.0437(2) 0.7381(3) 0.2842(6) 0.070(2) Uani 1 1 d . . . . .
F12C F 0.0305(7) 0.7503(5) 0.1798(9) 0.068(4) Uani 0.57 1 d . . P B 1
F12D F 0.0871(4) 0.6260(5) 0.3024(8) 0.042(2) Uani 0.57 1 d . . P B 1
F12G F 0.0147(5) 0.7581(5) 0.3651(10) 0.056(3) Uani 0.57 1 d . . P B 1
F12H F -0.0295(4) 0.6958(6) 0.3959(7) 0.057(3) Uani 0.57 1 d . . P B 1
F12K F 0.0198(8) 0.7698(9) 0.3295(15) 0.063(6) Uiso 0.43 1 d . . P B 2
F12L F 0.0943(9) 0.6401(9) 0.2707(16) 0.072(7) Uiso 0.43 1 d . . P B 2
F12M F 0.0083(10) 0.7580(12) 0.204(2) 0.094(9) Uiso 0.43 1 d . . P B 2
F12N F -0.0161(11) 0.6735(12) 0.411(2) 0.095(9) Uiso 0.43 1 d . . P B 2
C131 C -0.0994(3) 0.5540(3) 0.2218(5) 0.0287(16) Uani 1 1 d . . . . .
C132 C -0.1423(4) 0.5898(5) 0.2251(6) 0.051(3) Uani 1 1 d . . . . .
C133 C -0.0815(4) 0.5453(4) 0.3132(7) 0.047(2) Uani 1 1 d . . . . .
C134 C -0.1144(5) 0.5021(6) 0.1804(9) 0.075(5) Uani 1 1 d . . . . .
F13I F -0.0806(2) 0.5905(3) 0.3547(4) 0.0570(16) Uani 1 1 d . . . . .
F13G F -0.0386(2) 0.5274(3) 0.3127(5) 0.0646(19) Uani 1 1 d . . . . .
F13B F -0.1169(3) 0.5039(4) 0.1006(5) 0.084(3) Uani 1 1 d . . . . .
F13K F -0.1087(2) 0.5126(3) 0.3570(4) 0.0575(16) Uani 1 1 d . . . . .
F13A F -0.1544(3) 0.4834(4) 0.2115(5) 0.091(3) Uani 1 1 d . . . . .
F13F F -0.1304(3) 0.6386(3) 0.2363(5) 0.072(2) Uani 1 1 d . . . . .
F13E F -0.1718(2) 0.5763(4) 0.2867(4) 0.067(2) Uani 1 1 d . . . . .
F13H F -0.0796(4) 0.4648(3) 0.2031(8) 0.104(4) Uani 1 1 d . . . . .
F13D F -0.1665(2) 0.5864(5) 0.1525(5) 0.096(4) Uani 1 1 d . . . . .
C141 C -0.0309(3) 0.6500(3) -0.0092(5) 0.0282(16) Uani 1 1 d . . . . .
C142 C 0.0049(5) 0.6892(5) -0.0459(8) 0.059(3) Uani 1 1 d . . . . .
C143 C -0.0457(5) 0.6093(5) -0.0768(7) 0.063(3) Uani 1 1 d . . . . .
C144 C -0.0757(4) 0.6801(5) 0.0179(7) 0.057(3) Uani 1 1 d . . . . .
F14E F -0.0690(3) 0.7009(3) 0.0939(5) 0.069(2) Uani 1 1 d . . . . .
F14D F -0.0885(3) 0.7158(3) -0.0360(5) 0.071(2) Uani 1 1 d . . . . .
F14C F -0.0084(3) 0.7056(4) -0.1237(5) 0.077(3) Uani 1 1 d . . . . .
F14F F -0.1107(2) 0.6443(4) 0.0284(6) 0.082(3) Uani 1 1 d . . . . .
F14B F 0.0464(2) 0.6706(4) -0.0509(5) 0.071(2) Uani 1 1 d . . . . .
F14I F -0.0753(3) 0.6286(3) -0.1336(5) 0.077(2) Uani 1 1 d . . . . .
F14H F -0.0639(4) 0.5681(3) -0.0443(5) 0.078(3) Uani 1 1 d . . . . .
F14A F 0.0076(4) 0.7305(3) 0.0070(7) 0.087(3) Uani 1 1 d . . . . .
F14G F -0.0041(4) 0.5961(4) -0.1201(5) 0.106(4) Uani 1 1 d . . . . .
C211 C -0.1274(3) 0.0317(4) 0.3431(5) 0.0336(17) Uani 1 1 d . . . . .
C212 C -0.1583(4) -0.0160(5) 0.3670(8) 0.051(3) Uani 1 1 d . . . . .
C213 C -0.1592(3) 0.0804(4) 0.3316(6) 0.041(2) Uani 1 1 d . . . . .
C214 C -0.1030(4) 0.0195(5) 0.2569(8) 0.055(3) Uani 1 1 d . . . . .
F21F F -0.1840(2) 0.0795(3) 0.2601(4) 0.0512(14) Uani 1 1 d . . . . .
F21G F -0.0672(3) -0.0119(4) 0.2691(5) 0.076(2) Uani 1 1 d . . . . .
F21E F -0.1350(3) 0.1236(3) 0.3309(6) 0.0653(19) Uani 1 1 d . . . . .
F21C F -0.1372(3) -0.0603(3) 0.3526(5) 0.0661(19) Uani 1 1 d . . . . .
F21B F -0.1677(3) -0.0134(3) 0.4492(5) 0.069(2) Uani 1 1 d . . . . .
F21I F -0.0879(3) 0.0607(4) 0.2204(6) 0.095(4) Uani 1 1 d . . . . .
F21D F -0.1909(2) 0.0828(3) 0.3936(4) 0.0588(17) Uani 1 1 d . . . . .
F21A F -0.1986(3) -0.0166(3) 0.3251(6) 0.074(2) Uani 1 1 d . . . . .
F21H F -0.1329(3) -0.0041(4) 0.2017(4) 0.083(3) Uani 1 1 d . . . . .
C221 C -0.1123(4) 0.0664(4) 0.6385(6) 0.041(2) Uani 1 1 d . . . . .
F22F F -0.0472(3) 0.0471(3) 0.7240(5) 0.072(2) Uani 1 1 d . . . . .
F22E F -0.1028(3) 0.0888(4) 0.7847(4) 0.074(2) Uani 1 1 d . . . . .
C222 C -0.1678(6) 0.0579(9) 0.6363(9) 0.056(5) Uani 0.68 1 d . . P A 1
C223 C -0.0951(5) 0.0536(7) 0.7271(10) 0.047(4) Uani 0.68 1 d . . P A 1
C224 C -0.1049(7) 0.1239(6) 0.6187(11) 0.057(5) Uani 0.68 1 d . . P A 1
F22C F -0.1876(4) 0.0802(6) 0.5697(7) 0.063(3) Uani 0.68 1 d . . P A 1
F22B F -0.1892(3) 0.0768(6) 0.7053(6) 0.071(4) Uani 0.68 1 d . . P A 1
F22A F -0.1782(3) 0.0061(5) 0.6338(6) 0.062(3) Uani 0.68 1 d . . P A 1
F22G F -0.1098(4) 0.1331(4) 0.5355(7) 0.060(3) Uani 0.68 1 d . . P A 1
F22I F -0.1354(5) 0.1557(5) 0.6582(8) 0.081(4) Uani 0.68 1 d . . P A 1
F22D F -0.1151(4) 0.0095(4) 0.7548(7) 0.063(3) Uani 0.68 1 d . . P A 1
F22H F -0.0615(4) 0.1367(4) 0.6401(8) 0.063(3) Uani 0.68 1 d . . P A 1
C225 C -0.1342(15) 0.0193(16) 0.666(3) 0.059(9) Uiso 0.32 1 d . . P A 2
C226 C -0.1403(18) 0.1095(19) 0.625(3) 0.071(11) Uiso 0.32 1 d . . P A 2
C227 C -0.0715(14) 0.0813(15) 0.714(3) 0.054(8) Uiso 0.32 1 d . . P A 2
F22U F -0.0534(9) 0.1289(10) 0.7081(18) 0.069(6) Uiso 0.32 1 d . . P A 2
F22S F -0.1508(11) -0.0010(11) 0.597(2) 0.082(7) Uiso 0.32 1 d . . P A 2
F22T F -0.1085(11) -0.0163(12) 0.704(2) 0.082(7) Uiso 0.32 1 d . . P A 2
F22P F -0.1530(13) 0.1330(14) 0.704(3) 0.095(9) Uiso 0.32 1 d . . P A 2
F22R F -0.1722(11) 0.0359(12) 0.712(2) 0.085(7) Uiso 0.32 1 d . . P A 2
F22N F -0.1682(12) 0.1040(13) 0.569(2) 0.080(8) Uiso 0.32 1 d . . P A 2
F22O F -0.1074(14) 0.1566(17) 0.595(3) 0.109(11) Uiso 0.32 1 d . . P A 2
C231 C 0.0210(3) 0.0902(3) 0.4537(6) 0.0373(19) Uani 1 1 d . . . . .
C232 C 0.0408(12) 0.0586(16) 0.3832(17) 0.126(18) Uani 0.6 1 d . . P C 1
C233 C -0.0002(8) 0.1398(8) 0.4033(17) 0.065(6) Uani 0.6 1 d . . P C 1
C234 C 0.0512(10) 0.1090(12) 0.5224(13) 0.080(9) Uani 0.6 1 d . . P C 1
F23A F 0.0745(6) 0.0224(5) 0.4348(13) 0.078(5) Uani 0.6 1 d . . P C 1
F23B F 0.0143(4) 0.0272(5) 0.3470(8) 0.070(4) Uani 0.6 1 d . . P C 1
F23C F 0.0711(4) 0.0813(6) 0.3371(7) 0.060(3) Uani 0.6 1 d . . P C 1
F23D F 0.0382(6) 0.1738(4) 0.3937(12) 0.083(5) Uani 0.6 1 d . . P C 1
F23F F -0.0181(6) 0.1221(7) 0.3307(8) 0.079(4) Uani 0.6 1 d . . P C 1
F23H F 0.0325(8) 0.1540(8) 0.5592(11) 0.098(8) Uani 0.6 1 d . . P C 1
F23I F 0.0970(5) 0.1186(9) 0.4872(11) 0.084(6) Uani 0.6 1 d . . P C 1
F23T F -0.0284(11) 0.1583(11) 0.458(3) 0.135(15) Uani 0.6 1 d . . P C 1
F23G F 0.0574(5) 0.0741(6) 0.5833(9) 0.064(3) Uiso 0.6 1 d . . P C 1
C235 C 0.0432(19) 0.0940(19) 0.353(3) 0.081(10) Uiso 0.4 1 d . . P C 2
C236 C 0.0149(8) 0.1448(9) 0.4795(14) 0.033(4) Uiso 0.4 1 d . . P C 2
C237 C 0.0698(9) 0.0690(10) 0.5007(17) 0.043(5) Uiso 0.4 1 d . . P C 2
F23K F 0.0822(10) 0.1133(11) 0.3469(18) 0.089(7) Uiso 0.4 1 d . . P C 2
F23L F 0.0437(9) 0.1779(10) 0.4550(17) 0.081(6) Uiso 0.4 1 d . . P C 2
F23N F 0.0185(16) 0.1412(18) 0.567(3) 0.123(16) Uiso 0.4 1 d . . P C 2
F23M F 0.0832(14) 0.0282(16) 0.483(3) 0.118(13) Uiso 0.4 1 d . . P C 2
F23O F 0.0361(14) 0.0525(14) 0.315(2) 0.121(10) Uiso 0.4 1 d . . P C 2
F23P F 0.0088(16) 0.1238(17) 0.312(3) 0.130(13) Uiso 0.4 1 d . . P C 2
F23S F 0.1030(10) 0.1028(10) 0.5068(17) 0.061(7) Uiso 0.4 1 d . . P C 2
F23E F -0.0301(10) 0.1657(11) 0.4469(13) 0.041(4) Uiso 0.4 1 d . . P C 2
F23R F 0.0641(8) 0.0538(10) 0.5688(15) 0.071(5) Uiso 0.4 1 d . . P C 2
C241 C -0.0360(3) -0.0830(3) 0.5144(6) 0.0325(17) Uani 1 1 d . . . . .
F24F F 0.0126(3) -0.1187(3) 0.6219(6) 0.077(2) Uani 1 1 d . . . . .
C242 C -0.0289(9) -0.1219(8) 0.4444(11) 0.063(6) Uani 0.65 1 d . . P D 1
C243 C 0.0060(5) -0.0773(5) 0.5744(10) 0.037(3) Uani 0.65 1 d . . P D 1
C244 C -0.0793(7) -0.1043(7) 0.5723(10) 0.049(4) Uani 0.65 1 d . . P D 1
F24A F -0.0051(8) -0.1640(5) 0.4734(7) 0.110(7) Uani 0.65 1 d . . P D 1
F24B F -0.0036(6) -0.1014(5) 0.3818(7) 0.074(4) Uani 0.65 1 d . . P D 1
F24O F -0.0732(5) -0.1407(4) 0.4147(7) 0.056(3) Uani 0.65 1 d . . P D 1
F24D F 0.0448(3) -0.0696(5) 0.5272(10) 0.065(3) Uani 0.65 1 d . . P D 1
F24E F 0.0037(5) -0.0329(4) 0.6120(9) 0.056(3) Uani 0.65 1 d . . P D 1
F24I F -0.0790(4) -0.0774(4) 0.6455(6) 0.058(3) Uani 0.65 1 d . . P D 1
F24G F -0.1183(4) -0.0990(6) 0.5342(8) 0.060(3) Uani 0.65 1 d . . P D 1
F24H F -0.0737(4) -0.1544(4) 0.5894(9) 0.072(4) Uani 0.65 1 d . . P D 1
C245 C -0.0689(11) -0.1291(12) 0.497(2) 0.047(6) Uiso 0.35 1 d . . P D 2
C246 C -0.0221(14) -0.0864(15) 0.607(3) 0.062(8) Uiso 0.35 1 d . . P D 2
C247 C 0.0052(19) -0.094(2) 0.447(4) 0.083(13) Uiso 0.35 1 d . . P D 2
F24P F -0.1079(14) -0.1168(15) 0.509(3) 0.093(13) Uiso 0.35 1 d . . P D 2
F24T F 0.0435(14) -0.0685(15) 0.477(3) 0.102(11) Uiso 0.35 1 d . . P D 2
F24C F -0.0529(17) -0.1286(19) 0.395(3) 0.125(17) Uiso 0.35 1 d . . P D 2
F24R F 0.0053(15) -0.0632(18) 0.389(3) 0.120(12) Uiso 0.35 1 d . . P D 2
F24K F 0.0231(11) -0.1388(12) 0.444(2) 0.085(7) Uiso 0.35 1 d . . P D 2
F24X F -0.0537(6) -0.1727(7) 0.5292(12) 0.050(4) Uiso 0.35 1 d . . P D 2
F24U F -0.0023(12) -0.0451(13) 0.636(2) 0.074(10) Uiso 0.35 1 d . . P D 2
F24V F -0.0606(18) -0.109(2) 0.651(3) 0.144(16) Uiso 0.35 1 d . . P D 2
C1S C 0.2459(5) 0.6162(7) 0.2708(9) 0.072(4) Uani 1 1 d . . . . .
H1SA H 0.2393 0.5934 0.3197 0.086 Uiso 1 1 calc R U . . .
H1SB H 0.2783 0.6291 0.2766 0.086 Uiso 1 1 calc R U . . .
Cl1 Cl 0.20851(13) 0.66791(19) 0.2729(3) 0.0845(11) Uani 1 1 d . . . . .
Cl2 Cl 0.24146(15) 0.57886(16) 0.1758(2) 0.0787(10) Uani 1 1 d . . . . .
C2S C 0.1288(5) 0.2052(5) 0.6506(7) 0.056(3) Uani 1 1 d . . . . .
H2SA H 0.1242 0.1959 0.5914 0.068 Uiso 1 1 d . U . . .
H2SB H 0.1016 0.2248 0.6662 0.068 Uiso 1 1 d . U . . .
Cl21 Cl 0.17684(11) 0.24751(17) 0.65451(18) 0.0715(9) Uani 1 1 d . . . E 1
Cl22 Cl 0.1553(4) 0.1443(3) 0.6645(5) 0.084(2) Uani 0.55 1 d . . P E 2
Cl23 Cl 0.1278(4) 0.1457(3) 0.7088(8) 0.087(3) Uani 0.45 1 d . . P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N22 2.324(6) . ?
Ag1 N11 2.332(6) . ?
Ag1 P22 2.3864(17) . ?
Ag1 P11 2.5417(19) . ?
Ag2 N21 2.310(5) 3 ?
Ag2 N12 2.343(6) 4_544 ?
Ag2 P12 2.4224(17) . ?
Ag2 P21 2.5488(19) . ?
Mo11 C1 1.999(8) . ?
Mo11 C2 2.013(9) . ?
Mo11 C14 2.282(9) . ?
Mo11 C13 2.303(9) . ?
Mo11 C15 2.312(9) . ?
Mo11 C12 2.351(8) . ?
Mo11 C11 2.370(8) . ?
Mo11 P12 2.4837(18) . ?
Mo11 P11 2.4845(18) . ?
Mo11 Mo12 3.0921(7) . ?
Mo12 C3 1.999(9) . ?
Mo12 C4 2.002(7) . ?
Mo12 C19 2.291(8) . ?
Mo12 C18 2.308(8) . ?
Mo12 C20 2.331(8) . ?
Mo12 C17 2.340(9) . ?
Mo12 C16 2.352(8) . ?
Mo12 P12 2.4438(18) . ?
Mo12 P11 2.5125(19) . ?
Mo21 C5 1.980(8) . ?
Mo21 C6 1.987(9) . ?
Mo21 C25 2.292(8) . ?
Mo21 C21 2.302(7) . ?
Mo21 C24 2.331(8) . ?
Mo21 C22 2.352(7) . ?
Mo21 C23 2.369(8) . ?
Mo21 P21 2.4694(18) . ?
Mo21 P22 2.5175(17) . ?
Mo21 Mo22 3.0478(7) . ?
Mo22 C7 1.994(8) . ?
Mo22 C8 2.014(8) . ?
Mo22 C26 2.293(9) . ?
Mo22 C30 2.308(9) . ?
Mo22 C27 2.310(8) . ?
Mo22 C28 2.341(8) . ?
Mo22 C29 2.354(9) . ?
Mo22 P22 2.4117(17) . ?
Mo22 P21 2.5418(18) . ?
P11 P12 2.088(2) . ?
P21 P22 2.087(2) . ?
C1 O1 1.136(11) . ?
C2 O2 1.124(12) . ?
C3 O3 1.145(11) . ?
C4 O4 1.126(10) . ?
C5 O5 1.152(10) . ?
C6 O6 1.142(12) . ?
C7 O7 1.152(11) . ?
C8 O8 1.134(10) . ?
C11 C15 1.407(14) . ?
C11 C12 1.414(13) . ?
C11 H11A 1.0000 . ?
C12 C13 1.407(14) . ?
C12 H12A 1.0000 . ?
C13 C14 1.417(18) . ?
C13 H13A 1.0000 . ?
C14 C15 1.416(15) . ?
C14 H14A 1.0000 . ?
C15 H15A 1.0000 . ?
C16 C20 1.410(14) . ?
C16 C17 1.420(17) . ?
C16 H16A 1.0000 . ?
C17 C18 1.418(16) . ?
C17 H17A 1.0000 . ?
C18 C19 1.420(15) . ?
C18 H18A 1.0000 . ?
C19 C20 1.419(15) . ?
C19 H19A 1.0000 . ?
C20 H20A 1.0000 . ?
C21 C22 1.402(13) . ?
C21 C25 1.427(14) . ?
C21 H21A 1.0000 . ?
C22 C23 1.416(13) . ?
C22 H22A 1.0000 . ?
C23 C24 1.421(12) . ?
C23 H23A 1.0000 . ?
C24 C25 1.398(14) . ?
C24 H24A 1.0000 . ?
C25 H25A 1.0000 . ?
C26 C30 1.403(15) . ?
C26 C27 1.423(14) . ?
C26 H26A 1.0000 . ?
C27 C28 1.411(14) . ?
C27 H27A 1.0000 . ?
C28 C29 1.415(12) . ?
C28 H28A 1.0000 . ?
C29 C30 1.409(14) . ?
C29 H29A 1.0000 . ?
C30 H30A 1.0000 . ?
N11 C415 1.334(10) . ?
N11 C411 1.339(12) . ?
N12 C420 1.320(11) . ?
N12 C418 1.331(11) . ?
N12 Ag2 2.343(6) 4 ?
N21 C311 1.320(11) . ?
N21 C315 1.334(10) . ?
N21 Ag2 2.310(5) 3_455 ?
N22 C320 1.332(10) . ?
N22 C318 1.346(10) . ?
C311 C312 1.392(11) . ?
C311 H31A 0.9500 . ?
C312 C313 1.386(11) . ?
C312 H31B 0.9500 . ?
C313 C314 1.376(10) . ?
C313 C316 1.488(10) . ?
C314 C315 1.397(10) . ?
C314 H31C 0.9500 . ?
C315 H31D 0.9500 . ?
C316 C317 1.376(11) . ?
C316 C319 1.381(11) . ?
C317 C318 1.384(10) . ?
C317 H31E 0.9500 . ?
C318 H31F 0.9500 . ?
C319 C320 1.391(10) . ?
C319 H31G 0.9500 . ?
C320 H32A 0.9500 . ?
C411 C412 1.379(11) . ?
C411 H41A 0.9500 . ?
C412 C413 1.394(11) . ?
C412 H41B 0.9500 . ?
C413 C414 1.393(11) . ?
C413 C416 1.479(9) . ?
C414 C415 1.388(10) . ?
C414 H41C 0.9500 . ?
C415 H41D 0.9500 . ?
C416 C419 1.375(11) . ?
C416 C417 1.398(11) . ?
C417 C418 1.378(11) . ?
C417 H41E 0.9500 . ?
C418 H41F 0.9500 . ?
C419 C420 1.401(11) . ?
C419 H41G 0.9500 . ?
C420 H42A 0.9500 . ?
Al1 O13 1.725(6) . ?
Al1 O12 1.727(6) . ?
Al1 O11 1.727(6) . ?
Al1 O14 1.728(6) . ?
Al2 O23 1.681(7) . ?
Al2 O24 1.698(6) . ?
Al2 O22A 1.71(3) . ?
Al2 O21 1.719(7) . ?
Al2 O22 1.749(8) . ?
O11 C111 1.348(9) . ?
O12 C121 1.342(10) . ?
O13 C131 1.346(9) . ?
O14 C141 1.345(9) . ?
O21 C211 1.326(11) . ?
O22 C221 1.340(13) . ?
O22A C221 1.46(3) . ?
O23 C231 1.347(12) . ?
O24 C241 1.345(10) . ?
C111 C114 1.517(14) . ?
C111 C113 1.549(13) . ?
C111 C112 1.565(14) . ?
C112 F11C 1.293(14) . ?
C112 F11B 1.343(14) . ?
C112 F11A 1.347(14) . ?
C113 F11I 1.331(17) . ?
C113 F11G 1.343(15) . ?
C113 F11H 1.354(14) . ?
C114 F11F 1.330(11) . ?
C114 F11E 1.343(13) . ?
C114 F11D 1.362(13) . ?
C121 C122 1.548(19) . ?
C121 C126 1.55(4) . ?
C121 C123 1.558(18) . ?
C121 C124 1.560(18) . ?
C121 C127 1.57(4) . ?
C121 C125 1.64(4) . ?
C122 F12E 1.29(2) . ?
C122 F12D 1.35(2) . ?
C122 F12F 1.376(17) . ?
C123 F12G 1.30(2) . ?
C123 F12I 1.322(19) . ?
C123 F12H 1.36(3) . ?
C124 F12A 1.32(2) . ?
C124 F12C 1.33(3) . ?
C124 F12B 1.363(19) . ?
C125 F12N 1.20(5) . ?
C125 F12E 1.31(4) . ?
C125 F12F 1.48(4) . ?
C126 F12M 1.20(5) . ?
C126 F12K 1.32(4) . ?
C126 F12I 1.35(4) . ?
C127 F12L 1.26(5) . ?
C127 F12B 1.40(4) . ?
C127 F12A 1.41(4) . ?
C131 C132 1.538(13) . ?
C131 C134 1.549(13) . ?
C131 C133 1.553(13) . ?
C132 F13F 1.315(16) . ?
C132 F13E 1.337(13) . ?
C132 F13D 1.345(13) . ?
C133 F13G 1.313(12) . ?
C133 F13I 1.337(13) . ?
C133 F13K 1.340(12) . ?
C134 F13B 1.266(18) . ?
C134 F13A 1.337(14) . ?
C134 F13H 1.43(2) . ?
C141 C142 1.551(14) . ?
C141 C143 1.557(14) . ?
C141 C144 1.561(13) . ?
C142 F14B 1.285(15) . ?
C142 F14C 1.357(14) . ?
C142 F14A 1.356(18) . ?
C143 F14H 1.290(17) . ?
C143 F14I 1.333(14) . ?
C143 F14G 1.417(18) . ?
C144 F14D 1.307(14) . ?
C144 F14E 1.331(14) . ?
C144 F14F 1.374(17) . ?
C211 C212 1.561(15) . ?
C211 C213 1.562(12) . ?
C211 C214 1.565(14) . ?
C212 F21C 1.314(13) . ?
C212 F21B 1.332(14) . ?
C212 F21A 1.333(13) . ?
C213 F21E 1.310(13) . ?
C213 F21F 1.337(12) . ?
C213 F21D 1.338(11) . ?
C214 F21I 1.284(15) . ?
C214 F21G 1.322(12) . ?
C214 F21H 1.367(17) . ?
C221 C226 1.38(5) . ?
C221 C225 1.44(4) . ?
C221 C223 1.523(17) . ?
C221 C224 1.53(2) . ?
C221 C222 1.608(19) . ?
C221 C227 1.72(4) . ?
F22F C227 1.13(4) . ?
F22F C223 1.386(16) . ?
F22E C223 1.305(19) . ?
F22E C227 1.45(4) . ?
C222 F22C 1.328(19) . ?
C222 F22B 1.345(18) . ?
C222 F22A 1.37(2) . ?
C223 F22D 1.35(2) . ?
C224 F22H 1.33(2) . ?
C224 F22G 1.35(2) . ?
C224 F22I 1.353(18) . ?
C225 F22S 1.31(5) . ?
C225 F22T 1.32(5) . ?
C225 F22R 1.37(5) . ?
C226 F22N 1.20(6) . ?
C226 F22P 1.43(6) . ?
C226 F22O 1.61(6) . ?
C227 F22U 1.34(5) . ?
C231 C234 1.47(3) . ?
C231 C236 1.47(2) . ?
C231 C232 1.49(3) . ?
C231 C233 1.62(2) . ?
C231 C237 1.68(3) . ?
C231 C235 1.71(6) . ?
C232 F23B 1.25(2) . ?
C232 F23C 1.28(2) . ?
C232 F23A 1.57(5) . ?
C233 F23T 1.28(4) . ?
C233 F23F 1.34(3) . ?
C233 F23D 1.42(2) . ?
C234 F23G 1.33(3) . ?
C234 F23H 1.40(4) . ?
C234 F23I 1.45(3) . ?
C235 F23K 1.23(6) . ?
C235 F23O 1.25(6) . ?
C235 F23P 1.41(6) . ?
C236 F23L 1.25(3) . ?
C236 F23N 1.40(5) . ?
C236 F23E 1.49(3) . ?
C237 F23M 1.15(4) . ?
C237 F23R 1.16(3) . ?
C237 F23S 1.29(4) . ?
F23M F23R 1.60(5) . ?
C241 C242 1.507(19) . ?
C241 C246 1.53(4) . ?
C241 C243 1.541(16) . ?
C241 C245 1.54(3) . ?
C241 C247 1.61(6) . ?
C241 C244 1.638(19) . ?
F24F C246 1.32(4) . ?
F24F C243 1.318(15) . ?
C242 F24B 1.34(3) . ?
C242 F24A 1.36(2) . ?
C242 F24O 1.44(3) . ?
C243 F24E 1.29(2) . ?
C243 F24D 1.354(19) . ?
C244 F24G 1.28(2) . ?
C244 F24H 1.33(2) . ?
C244 F24I 1.35(2) . ?
C245 F24P 1.18(5) . ?
C245 F24X 1.31(4) . ?
C245 F24C 1.67(6) . ?
C246 F24U 1.29(5) . ?
C246 F24V 1.43(6) . ?
C247 F24R 1.21(6) . ?
C247 F24K 1.27(6) . ?
C247 F24T 1.36(7) . ?
F24T F24R 1.77(6) . ?
C1S Cl1 1.710(17) . ?
C1S Cl2 1.790(15) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S Cl22 1.755(13) . ?
C2S Cl21 1.757(15) . ?
C2S Cl23 1.788(15) . ?
C2S H2SA 0.9756 . ?
C2S H2SB 0.9634 . ?
Cl22 Cl23 1.055(14) . ?

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
N22 Ag1 N11 96.4(2) . . ?
N22 Ag1 P22 122.39(17) . . ?
N11 Ag1 P22 119.41(17) . . ?
N22 Ag1 P11 96.54(18) . . ?
N11 Ag1 P11 100.65(17) . . ?
P22 Ag1 P11 116.68(6) . . ?
N21 Ag2 N12 95.2(2) 3 4_544 ?
N21 Ag2 P12 115.23(17) 3 . ?
N12 Ag2 P12 118.45(18) 4_544 . ?
N21 Ag2 P21 100.8(2) 3 . ?
N12 Ag2 P21 102.00(18) 4_544 . ?
P12 Ag2 P21 120.83(6) . . ?
C1 Mo11 C2 87.9(3) . . ?
C1 Mo11 C14 86.2(4) . . ?
C2 Mo11 C14 92.8(4) . . ?
C1 Mo11 C13 81.1(3) . . ?
C2 Mo11 C13 127.8(4) . . ?
C14 Mo11 C13 36.0(4) . . ?
C1 Mo11 C15 120.7(4) . . ?
C2 Mo11 C15 84.6(4) . . ?
C14 Mo11 C15 35.9(4) . . ?
C13 Mo11 C15 59.5(4) . . ?
C1 Mo11 C12 110.9(3) . . ?
C2 Mo11 C12 143.3(3) . . ?
C14 Mo11 C12 59.1(4) . . ?
C13 Mo11 C12 35.2(3) . . ?
C15 Mo11 C12 58.8(4) . . ?
C1 Mo11 C11 139.2(3) . . ?
C2 Mo11 C11 111.9(3) . . ?
C14 Mo11 C11 58.6(3) . . ?
C13 Mo11 C11 58.4(3) . . ?
C15 Mo11 C11 34.9(3) . . ?
C12 Mo11 C11 34.9(3) . . ?
C1 Mo11 P12 78.8(2) . . ?
C2 Mo11 P12 75.4(3) . . ?
C14 Mo11 P12 161.1(3) . . ?
C13 Mo11 P12 148.6(3) . . ?
C15 Mo11 P12 151.7(3) . . ?
C12 Mo11 P12 137.5(2) . . ?
C11 Mo11 P12 139.3(2) . . ?
C1 Mo11 P11 87.5(3) . . ?
C2 Mo11 P11 124.7(3) . . ?
C14 Mo11 P11 141.7(3) . . ?
C13 Mo11 P11 105.7(3) . . ?
C15 Mo11 P11 141.8(3) . . ?
C12 Mo11 P11 88.5(2) . . ?
C11 Mo11 P11 106.9(2) . . ?
P12 Mo11 P11 49.70(6) . . ?
C1 Mo11 Mo12 127.8(2) . . ?
C2 Mo11 Mo12 90.4(3) . . ?
C14 Mo11 Mo12 145.9(3) . . ?
C13 Mo11 Mo12 135.4(3) . . ?
C15 Mo11 Mo12 111.1(3) . . ?
C12 Mo11 Mo12 100.8(2) . . ?
C11 Mo11 Mo12 88.8(2) . . ?
P12 Mo11 Mo12 50.56(4) . . ?
P11 Mo11 Mo12 52.18(4) . . ?
C3 Mo12 C4 91.3(3) . . ?
C3 Mo12 C19 89.1(3) . . ?
C4 Mo12 C19 94.8(3) . . ?
C3 Mo12 C18 123.7(4) . . ?
C4 Mo12 C18 84.8(4) . . ?
C19 Mo12 C18 36.0(4) . . ?
C3 Mo12 C20 83.5(4) . . ?
C4 Mo12 C20 130.1(3) . . ?
C19 Mo12 C20 35.8(4) . . ?
C18 Mo12 C20 59.0(4) . . ?
C3 Mo12 C17 142.0(3) . . ?
C4 Mo12 C17 110.8(4) . . ?
C19 Mo12 C17 59.6(4) . . ?
C18 Mo12 C17 35.5(4) . . ?
C20 Mo12 C17 58.6(4) . . ?
C3 Mo12 C16 111.9(4) . . ?
C4 Mo12 C16 143.4(4) . . ?
C19 Mo12 C16 59.4(3) . . ?
C18 Mo12 C16 59.0(4) . . ?
C20 Mo12 C16 35.0(4) . . ?
C17 Mo12 C16 35.2(4) . . ?
C3 Mo12 P12 101.6(2) . . ?
C4 Mo12 P12 122.4(2) . . ?
C19 Mo12 P12 140.5(3) . . ?
C18 Mo12 P12 127.3(3) . . ?
C20 Mo12 P12 107.2(3) . . ?
C17 Mo12 P12 92.3(3) . . ?
C16 Mo12 P12 81.5(2) . . ?
C3 Mo12 P11 121.0(2) . . ?
C4 Mo12 P11 75.4(2) . . ?
C19 Mo12 P11 148.1(3) . . ?
C18 Mo12 P11 112.2(3) . . ?
C20 Mo12 P11 146.9(3) . . ?
C17 Mo12 P11 95.0(3) . . ?
C16 Mo12 P11 111.9(3) . . ?
P12 Mo12 P11 49.80(6) . . ?
C3 Mo12 Mo11 70.2(2) . . ?
C4 Mo12 Mo11 82.7(2) . . ?
C19 Mo12 Mo11 159.0(3) . . ?
C18 Mo12 Mo11 161.6(3) . . ?
C20 Mo12 Mo11 138.9(3) . . ?
C17 Mo12 Mo11 140.6(3) . . ?
C16 Mo12 Mo11 130.8(3) . . ?
P12 Mo12 Mo11 51.71(4) . . ?
P11 Mo12 Mo11 51.37(4) . . ?
C5 Mo21 C6 88.9(3) . . ?
C5 Mo21 C25 95.9(3) . . ?
C6 Mo21 C25 88.2(3) . . ?
C5 Mo21 C21 131.6(3) . . ?
C6 Mo21 C21 84.4(3) . . ?
C25 Mo21 C21 36.2(4) . . ?
C5 Mo21 C24 85.4(3) . . ?
C6 Mo21 C24 121.5(3) . . ?
C25 Mo21 C24 35.2(4) . . ?
C21 Mo21 C24 58.9(3) . . ?
C5 Mo21 C22 143.2(3) . . ?
C6 Mo21 C22 114.4(3) . . ?
C25 Mo21 C22 59.1(3) . . ?
C21 Mo21 C22 35.1(3) . . ?
C24 Mo21 C22 58.4(3) . . ?
C5 Mo21 C23 110.4(3) . . ?
C6 Mo21 C23 142.4(3) . . ?
C25 Mo21 C23 58.9(3) . . ?
C21 Mo21 C23 58.5(3) . . ?
C24 Mo21 C23 35.2(3) . . ?
C22 Mo21 C23 34.9(3) . . ?
C5 Mo21 P21 120.9(2) . . ?
C6 Mo21 P21 83.6(3) . . ?
C25 Mo21 P21 142.0(3) . . ?
C21 Mo21 P21 105.9(3) . . ?
C24 Mo21 P21 145.6(2) . . ?
C22 Mo21 P21 91.0(2) . . ?
C23 Mo21 P21 110.5(2) . . ?
C5 Mo21 P22 71.4(2) . . ?
C6 Mo21 P22 80.0(2) . . ?
C25 Mo21 P22 162.7(2) . . ?
C21 Mo21 P22 152.0(2) . . ?
C24 Mo21 P22 148.6(2) . . ?
C22 Mo21 P22 137.6(2) . . ?
C23 Mo21 P22 135.9(2) . . ?
P21 Mo21 P22 49.47(6) . . ?
C5 Mo21 Mo22 89.4(2) . . ?
C6 Mo21 Mo22 127.7(2) . . ?
C25 Mo21 Mo22 143.9(2) . . ?
C21 Mo21 Mo22 131.2(3) . . ?
C24 Mo21 Mo22 110.5(2) . . ?
C22 Mo21 Mo22 96.8(2) . . ?
C23 Mo21 Mo22 85.8(2) . . ?
P21 Mo21 Mo22 53.63(4) . . ?
P22 Mo21 Mo22 50.26(4) . . ?
C7 Mo22 C8 86.9(4) . . ?
C7 Mo22 C26 85.4(4) . . ?
C8 Mo22 C26 98.2(3) . . ?
C7 Mo22 C30 118.3(4) . . ?
C8 Mo22 C30 86.7(3) . . ?
C26 Mo22 C30 35.5(4) . . ?
C7 Mo22 C27 84.1(4) . . ?
C8 Mo22 C27 133.8(3) . . ?
C26 Mo22 C27 36.0(4) . . ?
C30 Mo22 C27 59.1(3) . . ?
C7 Mo22 C28 115.7(3) . . ?
C8 Mo22 C28 144.1(3) . . ?
C26 Mo22 C28 59.2(3) . . ?
C30 Mo22 C28 58.5(3) . . ?
C27 Mo22 C28 35.3(3) . . ?
C7 Mo22 C29 141.7(3) . . ?
C8 Mo22 C29 110.5(3) . . ?
C26 Mo22 C29 59.1(3) . . ?
C30 Mo22 C29 35.2(3) . . ?
C27 Mo22 C29 58.9(3) . . ?
C28 Mo22 C29 35.1(3) . . ?
C7 Mo22 P22 91.5(2) . . ?
C8 Mo22 P22 123.3(2) . . ?
C26 Mo22 P22 138.2(3) . . ?
C30 Mo22 P22 140.0(2) . . ?
C27 Mo22 P22 102.2(2) . . ?
C28 Mo22 P22 85.5(2) . . ?
C29 Mo22 P22 105.1(2) . . ?
C7 Mo22 P21 78.8(2) . . ?
C8 Mo22 P21 74.6(2) . . ?
C26 Mo22 P21 162.9(3) . . ?
C30 Mo22 P21 154.2(3) . . ?
C27 Mo22 P21 146.1(2) . . ?
C28 Mo22 P21 134.4(2) . . ?
C29 Mo22 P21 137.8(2) . . ?
P22 Mo22 P21 49.76(6) . . ?
C7 Mo22 Mo21 129.8(2) . . ?
C8 Mo22 Mo21 86.1(2) . . ?
C26 Mo22 Mo21 144.8(3) . . ?
C30 Mo22 Mo21 110.8(3) . . ?
C27 Mo22 Mo21 132.6(3) . . ?
C28 Mo22 Mo21 97.9(2) . . ?
C29 Mo22 Mo21 86.5(2) . . ?
P22 Mo22 Mo21 53.39(4) . . ?
P21 Mo22 Mo21 51.47(4) . . ?
P12 P11 Mo11 65.13(7) . . ?
P12 P11 Mo12 63.39(7) . . ?
Mo11 P11 Mo12 76.45(5) . . ?
P12 P11 Ag1 110.92(8) . . ?
Mo11 P11 Ag1 151.82(8) . . ?
Mo12 P11 Ag1 128.46(7) . . ?
P11 P12 Ag2 128.03(10) . . ?
P11 P12 Mo12 66.81(7) . . ?
Ag2 P12 Mo12 141.31(8) . . ?
P11 P12 Mo11 65.17(7) . . ?
Ag2 P12 Mo11 140.03(8) . . ?
Mo12 P12 Mo11 77.73(5) . . ?
P22 P21 Mo21 66.46(7) . . ?
P22 P21 Mo22 61.88(7) . . ?
Mo21 P21 Mo22 74.90(5) . . ?
P22 P21 Ag2 107.25(8) . . ?
Mo21 P21 Ag2 143.40(7) . . ?
Mo22 P21 Ag2 136.20(7) . . ?
P21 P22 Ag1 132.87(10) . . ?
P21 P22 Mo22 68.36(7) . . ?
Ag1 P22 Mo22 145.23(8) . . ?
P21 P22 Mo21 64.06(7) . . ?
Ag1 P22 Mo21 134.87(7) . . ?
Mo22 P22 Mo21 76.35(5) . . ?
O1 C1 Mo11 177.3(8) . . ?
O2 C2 Mo11 177.2(9) . . ?
O3 C3 Mo12 173.0(7) . . ?
O4 C4 Mo12 175.1(7) . . ?
O5 C5 Mo21 176.9(7) . . ?
O6 C6 Mo21 178.2(8) . . ?
O7 C7 Mo22 177.4(8) . . ?
O8 C8 Mo22 178.3(8) . . ?
C15 C11 C12 108.4(8) . . ?
C15 C11 Mo11 70.3(5) . . ?
C12 C11 Mo11 71.8(5) . . ?
C15 C11 H11A 125.8 . . ?
C12 C11 H11A 125.8 . . ?
Mo11 C11 H11A 125.8 . . ?
C13 C12 C11 108.0(9) . . ?
C13 C12 Mo11 70.6(5) . . ?
C11 C12 Mo11 73.3(5) . . ?
C13 C12 H12A 125.9 . . ?
C11 C12 H12A 125.9 . . ?
Mo11 C12 H12A 125.9 . . ?
C12 C13 C14 107.9(9) . . ?
C12 C13 Mo11 74.3(5) . . ?
C14 C13 Mo11 71.2(5) . . ?
C12 C13 H13A 125.8 . . ?
C14 C13 H13A 125.8 . . ?
Mo11 C13 H13A 125.8 . . ?
C15 C14 C13 108.0(9) . . ?
C15 C14 Mo11 73.2(5) . . ?
C13 C14 Mo11 72.8(5) . . ?
C15 C14 H14A 125.8 . . ?
C13 C14 H14A 125.8 . . ?
Mo11 C14 H14A 125.8 . . ?
C11 C15 C14 107.7(10) . . ?
C11 C15 Mo11 74.8(5) . . ?
C14 C15 Mo11 70.9(5) . . ?
C11 C15 H15A 125.9 . . ?
C14 C15 H15A 125.9 . . ?
Mo11 C15 H15A 125.9 . . ?
C20 C16 C17 107.8(9) . . ?
C20 C16 Mo12 71.6(5) . . ?
C17 C16 Mo12 71.9(5) . . ?
C20 C16 H16A 126.0 . . ?
C17 C16 H16A 126.0 . . ?
Mo12 C16 H16A 126.0 . . ?
C18 C17 C16 107.9(9) . . ?
C18 C17 Mo12 71.0(5) . . ?
C16 C17 Mo12 72.9(5) . . ?
C18 C17 H17A 126.0 . . ?
C16 C17 H17A 126.0 . . ?
Mo12 C17 H17A 126.0 . . ?
C17 C18 C19 108.3(9) . . ?
C17 C18 Mo12 73.5(5) . . ?
C19 C18 Mo12 71.4(5) . . ?
C17 C18 H18A 125.7 . . ?
C19 C18 H18A 125.7 . . ?
Mo12 C18 H18A 125.7 . . ?
C20 C19 C18 107.2(9) . . ?
C20 C19 Mo12 73.7(5) . . ?
C18 C19 Mo12 72.6(5) . . ?
C20 C19 H19A 126.1 . . ?
C18 C19 H19A 126.1 . . ?
Mo12 C19 H19A 126.1 . . ?
C16 C20 C19 108.8(9) . . ?
C16 C20 Mo12 73.3(5) . . ?
C19 C20 Mo12 70.6(5) . . ?
C16 C20 H20A 125.5 . . ?
C19 C20 H20A 125.5 . . ?
Mo12 C20 H20A 125.5 . . ?
C22 C21 C25 108.2(8) . . ?
C22 C21 Mo21 74.4(4) . . ?
C25 C21 Mo21 71.5(5) . . ?
C22 C21 H21A 125.7 . . ?
C25 C21 H21A 125.7 . . ?
Mo21 C21 H21A 125.7 . . ?
C21 C22 C23 108.3(8) . . ?
C21 C22 Mo21 70.5(4) . . ?
C23 C22 Mo21 73.2(4) . . ?
C21 C22 H22A 125.8 . . ?
C23 C22 H22A 125.8 . . ?
Mo21 C22 H22A 125.8 . . ?
C22 C23 C24 107.3(8) . . ?
C22 C23 Mo21 71.9(4) . . ?
C24 C23 Mo21 70.9(4) . . ?
C22 C23 H23A 126.3 . . ?
C24 C23 H23A 126.3 . . ?
Mo21 C23 H23A 126.3 . . ?
C25 C24 C23 108.8(8) . . ?
C25 C24 Mo21 70.9(5) . . ?
C23 C24 Mo21 73.9(4) . . ?
C25 C24 H24A 125.5 . . ?
C23 C24 H24A 125.5 . . ?
Mo21 C24 H24A 125.5 . . ?
C24 C25 C21 107.4(8) . . ?
C24 C25 Mo21 73.9(5) . . ?
C21 C25 Mo21 72.3(5) . . ?
C24 C25 H25A 126.0 . . ?
C21 C25 H25A 126.0 . . ?
Mo21 C25 H25A 126.0 . . ?
C30 C26 C27 107.4(8) . . ?
C30 C26 Mo22 72.8(5) . . ?
C27 C26 Mo22 72.7(5) . . ?
C30 C26 H26A 126.1 . . ?
C27 C26 H26A 126.1 . . ?
Mo22 C26 H26A 126.1 . . ?
C28 C27 C26 107.7(8) . . ?
C28 C27 Mo22 73.5(5) . . ?
C26 C27 Mo22 71.3(5) . . ?
C28 C27 H27A 126.0 . . ?
C26 C27 H27A 126.0 . . ?
Mo22 C27 H27A 126.0 . . ?
C27 C28 C29 108.5(8) . . ?
C27 C28 Mo22 71.2(5) . . ?
C29 C28 Mo22 73.0(5) . . ?
C27 C28 H28A 125.6 . . ?
C29 C28 H28A 125.6 . . ?
Mo22 C28 H28A 125.6 . . ?
C30 C29 C28 107.1(9) . . ?
C30 C29 Mo22 70.6(5) . . ?
C28 C29 Mo22 71.9(5) . . ?
C30 C29 H29A 126.4 . . ?
C28 C29 H29A 126.4 . . ?
Mo22 C29 H29A 126.4 . . ?
C26 C30 C29 109.3(8) . . ?
C26 C30 Mo22 71.6(5) . . ?
C29 C30 Mo22 74.2(5) . . ?
C26 C30 H30A 125.2 . . ?
C29 C30 H30A 125.2 . . ?
Mo22 C30 H30A 125.2 . . ?
C415 N11 C411 117.2(7) . . ?
C415 N11 Ag1 120.8(5) . . ?
C411 N11 Ag1 122.0(5) . . ?
C420 N12 C418 117.5(7) . . ?
C420 N12 Ag2 119.2(5) . 4 ?
C418 N12 Ag2 123.2(5) . 4 ?
C311 N21 C315 116.7(6) . . ?
C311 N21 Ag2 117.7(5) . 3_455 ?
C315 N21 Ag2 123.3(5) . 3_455 ?
C320 N22 C318 117.5(6) . . ?
C320 N22 Ag1 113.4(5) . . ?
C318 N22 Ag1 129.1(5) . . ?
N21 C311 C312 124.8(7) . . ?
N21 C311 H31A 117.6 . . ?
C312 C311 H31A 117.6 . . ?
C313 C312 C311 117.6(7) . . ?
C313 C312 H31B 121.2 . . ?
C311 C312 H31B 121.2 . . ?
C314 C313 C312 118.9(7) . . ?
C314 C313 C316 121.8(7) . . ?
C312 C313 C316 119.3(7) . . ?
C313 C314 C315 118.7(6) . . ?
C313 C314 H31C 120.7 . . ?
C315 C314 H31C 120.7 . . ?
N21 C315 C314 123.3(7) . . ?
N21 C315 H31D 118.3 . . ?
C314 C315 H31D 118.3 . . ?
C317 C316 C319 118.4(7) . . ?
C317 C316 C313 122.1(7) . . ?
C319 C316 C313 119.5(7) . . ?
C316 C317 C318 119.5(7) . . ?
C316 C317 H31E 120.3 . . ?
C318 C317 H31E 120.3 . . ?
N22 C318 C317 122.6(7) . . ?
N22 C318 H31F 118.7 . . ?
C317 C318 H31F 118.7 . . ?
C316 C319 C320 118.8(7) . . ?
C316 C319 H31G 120.6 . . ?
C320 C319 H31G 120.6 . . ?
N22 C320 C319 123.1(7) . . ?
N22 C320 H32A 118.4 . . ?
C319 C320 H32A 118.4 . . ?
N11 C411 C412 122.6(8) . . ?
N11 C411 H41A 118.7 . . ?
C412 C411 H41A 118.7 . . ?
C411 C412 C413 120.3(8) . . ?
C411 C412 H41B 119.8 . . ?
C413 C412 H41B 119.8 . . ?
C414 C413 C412 117.1(7) . . ?
C414 C413 C416 120.5(7) . . ?
C412 C413 C416 122.4(7) . . ?
C415 C414 C413 118.6(7) . . ?
C415 C414 H41C 120.7 . . ?
C413 C414 H41C 120.7 . . ?
N11 C415 C414 124.1(7) . . ?
N11 C415 H41D 118.0 . . ?
C414 C415 H41D 118.0 . . ?
C419 C416 C417 117.7(7) . . ?
C419 C416 C413 121.8(7) . . ?
C417 C416 C413 120.4(7) . . ?
C418 C417 C416 118.8(7) . . ?
C418 C417 H41E 120.6 . . ?
C416 C417 H41E 120.6 . . ?
N12 C418 C417 123.7(7) . . ?
N12 C418 H41F 118.2 . . ?
C417 C418 H41F 118.2 . . ?
C416 C419 C420 119.0(7) . . ?
C416 C419 H41G 120.5 . . ?
C420 C419 H41G 120.5 . . ?
N12 C420 C419 123.2(7) . . ?
N12 C420 H42A 118.4 . . ?
C419 C420 H42A 118.4 . . ?
O13 Al1 O12 107.1(3) . . ?
O13 Al1 O11 114.3(3) . . ?
O12 Al1 O11 107.2(3) . . ?
O13 Al1 O14 107.0(3) . . ?
O12 Al1 O14 114.9(3) . . ?
O11 Al1 O14 106.7(3) . . ?
O23 Al2 O24 115.6(4) . . ?
O23 Al2 O22A 81.6(11) . . ?
O24 Al2 O22A 122.0(10) . . ?
O23 Al2 O21 109.3(4) . . ?
O24 Al2 O21 108.1(4) . . ?
O22A Al2 O21 117.4(10) . . ?
O23 Al2 O22 111.1(5) . . ?
O24 Al2 O22 104.5(4) . . ?
O21 Al2 O22 107.8(4) . . ?
C111 O11 Al1 148.0(6) . . ?
C121 O12 Al1 147.5(5) . . ?
C131 O13 Al1 149.9(6) . . ?
C141 O14 Al1 148.3(5) . . ?
C211 O21 Al2 151.3(7) . . ?
C221 O22 Al2 147.4(8) . . ?
C221 O22A Al2 138(2) . . ?
C231 O23 Al2 153.3(9) . . ?
C241 O24 Al2 152.3(7) . . ?
O11 C111 C114 114.4(7) . . ?
O11 C111 C113 108.6(7) . . ?
C114 C111 C113 111.0(9) . . ?
O11 C111 C112 106.1(8) . . ?
C114 C111 C112 110.3(8) . . ?
C113 C111 C112 106.0(9) . . ?
F11C C112 F11B 106.2(11) . . ?
F11C C112 F11A 108.1(10) . . ?
F11B C112 F11A 108.0(9) . . ?
F11C C112 C111 114.0(9) . . ?
F11B C112 C111 109.4(9) . . ?
F11A C112 C111 111.0(10) . . ?
F11I C113 F11G 107.9(10) . . ?
F11I C113 F11H 112.6(11) . . ?
F11G C113 F11H 103.5(11) . . ?
F11I C113 C111 111.6(10) . . ?
F11G C113 C111 109.6(10) . . ?
F11H C113 C111 111.3(9) . . ?
F11F C114 F11E 107.2(9) . . ?
F11F C114 F11D 109.5(8) . . ?
F11E C114 F11D 106.0(9) . . ?
F11F C114 C111 114.5(8) . . ?
F11E C114 C111 110.9(8) . . ?
F11D C114 C111 108.5(9) . . ?
O12 C121 C122 109.7(9) . . ?
O12 C121 C126 108.3(15) . . ?
O12 C121 C123 108.4(8) . . ?
C122 C121 C123 107.9(12) . . ?
O12 C121 C124 110.7(9) . . ?
C122 C121 C124 110.5(12) . . ?
C123 C121 C124 109.5(15) . . ?
O12 C121 C127 114.4(16) . . ?
C126 C121 C127 109(2) . . ?
O12 C121 C125 107.7(16) . . ?
C126 C121 C125 109(2) . . ?
C127 C121 C125 108(2) . . ?
F12E C122 F12D 107.4(15) . . ?
F12E C122 F12F 105.4(14) . . ?
F12D C122 F12F 109.4(12) . . ?
F12E C122 C121 113.0(11) . . ?
F12D C122 C121 111.0(14) . . ?
F12F C122 C121 110.4(13) . . ?
F12G C123 F12I 111.5(16) . . ?
F12G C123 F12H 104.5(17) . . ?
F12I C123 F12H 104.5(16) . . ?
F12G C123 C121 114.3(15) . . ?
F12I C123 C121 110.7(13) . . ?
F12H C123 C121 110.6(15) . . ?
F12A C124 F12C 108.6(16) . . ?
F12A C124 F12B 105.6(16) . . ?
F12C C124 F12B 113.0(16) . . ?
F12A C124 C121 109.2(13) . . ?
F12C C124 C121 109.9(16) . . ?
F12B C124 C121 110.3(14) . . ?
F12N C125 F12E 110(4) . . ?
F12N C125 F12F 126(4) . . ?
F12E C125 F12F 99(3) . . ?
F12N C125 C121 113(3) . . ?
F12E C125 C121 107(3) . . ?
F12F C125 C121 101(2) . . ?
F12M C126 F12K 108(3) . . ?
F12M C126 F12I 105(3) . . ?
F12K C126 F12I 105(3) . . ?
F12M C126 C121 114(3) . . ?
F12K C126 C121 114(3) . . ?
F12I C126 C121 110(2) . . ?
F12L C127 F12B 123(3) . . ?
F12L C127 F12A 108(3) . . ?
F12B C127 F12A 99(3) . . ?
F12L C127 C121 112(3) . . ?
F12B C127 C121 108(2) . . ?
F12A C127 C121 104(2) . . ?
O13 C131 C132 109.3(8) . . ?
O13 C131 C134 106.9(7) . . ?
C132 C131 C134 108.0(10) . . ?
O13 C131 C133 112.6(7) . . ?
C132 C131 C133 108.7(7) . . ?
C134 C131 C133 111.2(10) . . ?
F13F C132 F13E 108.3(9) . . ?
F13F C132 F13D 108.1(11) . . ?
F13E C132 F13D 106.4(10) . . ?
F13F C132 C131 111.6(9) . . ?
F13E C132 C131 112.1(9) . . ?
F13D C132 C131 110.1(9) . . ?
F13G C133 F13I 106.9(10) . . ?
F13G C133 F13K 109.2(9) . . ?
F13I C133 F13K 107.7(8) . . ?
F13G C133 C131 110.8(8) . . ?
F13I C133 C131 109.8(8) . . ?
F13K C133 C131 112.3(9) . . ?
F13B C134 F13A 109.4(12) . . ?
F13B C134 F13H 108.3(12) . . ?
F13A C134 F13H 105.4(13) . . ?
F13B C134 C131 113.9(12) . . ?
F13A C134 C131 113.0(10) . . ?
F13H C134 C131 106.3(11) . . ?
O14 C141 C142 107.2(8) . . ?
O14 C141 C143 109.0(8) . . ?
C142 C141 C143 111.2(9) . . ?
O14 C141 C144 113.2(7) . . ?
C142 C141 C144 108.9(9) . . ?
C143 C141 C144 107.4(9) . . ?
F14B C142 F14C 108.6(11) . . ?
F14B C142 F14A 106.1(12) . . ?
F14C C142 F14A 109.4(11) . . ?
F14B C142 C141 113.1(10) . . ?
F14C C142 C141 110.9(10) . . ?
F14A C142 C141 108.5(10) . . ?
F14H C143 F14I 108.5(12) . . ?
F14H C143 F14G 109.7(12) . . ?
F14I C143 F14G 107.5(10) . . ?
F14H C143 C141 112.9(9) . . ?
F14I C143 C141 112.7(10) . . ?
F14G C143 C141 105.3(11) . . ?
F14D C144 F14E 110.3(11) . . ?
F14D C144 F14F 110.2(9) . . ?
F14E C144 F14F 105.5(10) . . ?
F14D C144 C141 113.6(10) . . ?
F14E C144 C141 109.3(8) . . ?
F14F C144 C141 107.6(10) . . ?
O21 C211 C212 112.7(8) . . ?
O21 C211 C213 106.6(8) . . ?
C212 C211 C213 109.1(8) . . ?
O21 C211 C214 111.7(8) . . ?
C212 C211 C214 107.9(9) . . ?
C213 C211 C214 108.7(7) . . ?
F21C C212 F21B 107.8(10) . . ?
F21C C212 F21A 107.7(9) . . ?
F21B C212 F21A 108.2(10) . . ?
F21C C212 C211 112.3(9) . . ?
F21B C212 C211 108.2(9) . . ?
F21A C212 C211 112.4(9) . . ?
F21E C213 F21F 106.8(8) . . ?
F21E C213 F21D 109.1(9) . . ?
F21F C213 F21D 105.1(8) . . ?
F21E C213 C211 111.9(8) . . ?
F21F C213 C211 113.2(8) . . ?
F21D C213 C211 110.3(8) . . ?
F21I C214 F21G 108.0(10) . . ?
F21I C214 F21H 107.0(10) . . ?
F21G C214 F21H 107.8(11) . . ?
F21I C214 C211 112.2(10) . . ?
F21G C214 C211 110.1(9) . . ?
F21H C214 C211 111.5(9) . . ?
C226 C221 C225 118(3) . . ?
C226 C221 O22A 119(3) . . ?
C225 C221 O22A 113(2) . . ?
O22 C221 C223 113.6(10) . . ?
O22 C221 C224 114.1(9) . . ?
C223 C221 C224 110.8(12) . . ?
O22 C221 C222 104.3(10) . . ?
C223 C221 C222 108.0(9) . . ?
C224 C221 C222 105.4(13) . . ?
C226 C221 C227 109(3) . . ?
C225 C221 C227 106(2) . . ?
O22A C221 C227 86.7(19) . . ?
F22C C222 F22B 107.0(15) . . ?
F22C C222 F22A 107.7(15) . . ?
F22B C222 F22A 106.1(14) . . ?
F22C C222 C221 112.5(13) . . ?
F22B C222 C221 112.6(13) . . ?
F22A C222 C221 110.5(13) . . ?
F22E C223 F22D 106.7(12) . . ?
F22E C223 F22F 106.0(13) . . ?
F22D C223 F22F 109.5(12) . . ?
F22E C223 C221 116.0(12) . . ?
F22D C223 C221 110.2(13) . . ?
F22F C223 C221 108.3(11) . . ?
F22H C224 F22G 107.7(15) . . ?
F22H C224 F22I 109.7(16) . . ?
F22G C224 F22I 106.1(14) . . ?
F22H C224 C221 108.6(13) . . ?
F22G C224 C221 110.9(14) . . ?
F22I C224 C221 113.7(15) . . ?
F22S C225 F22T 108(4) . . ?
F22S C225 F22R 106(3) . . ?
F22T C225 F22R 115(4) . . ?
F22S C225 C221 104(3) . . ?
F22T C225 C221 119(3) . . ?
F22R C225 C221 104(3) . . ?
F22N C226 C221 114(4) . . ?
F22N C226 F22P 121(4) . . ?
C221 C226 F22P 111(4) . . ?
F22N C226 F22O 105(4) . . ?
C221 C226 F22O 108(4) . . ?
F22P C226 F22O 95(4) . . ?
F22F C227 F22U 119(3) . . ?
F22F C227 F22E 112(3) . . ?
F22U C227 F22E 100(3) . . ?
F22F C227 C221 110(3) . . ?
F22U C227 C221 115(3) . . ?
F22E C227 C221 98(2) . . ?
O23 C231 C234 107.1(10) . . ?
O23 C231 C236 104.4(11) . . ?
O23 C231 C232 110.5(12) . . ?
C234 C231 C232 120(2) . . ?
O23 C231 C233 107.4(11) . . ?
C234 C231 C233 108.9(16) . . ?
C232 C231 C233 102(2) . . ?
O23 C231 C237 107.2(11) . . ?
C236 C231 C237 106.5(14) . . ?
O23 C231 C235 135.0(19) . . ?
C236 C231 C235 104.3(19) . . ?
C237 C231 C235 97(2) . . ?
F23B C232 F23C 116.6(18) . . ?
F23B C232 C231 118(2) . . ?
F23C C232 C231 116(2) . . ?
F23B C232 F23A 103(3) . . ?
F23C C232 F23A 99(3) . . ?
C231 C232 F23A 99.7(19) . . ?
F23T C233 F23F 118(3) . . ?
F23T C233 F23D 110(2) . . ?
F23F C233 F23D 115(2) . . ?
F23T C233 C231 101(2) . . ?
F23F C233 C231 107.3(16) . . ?
F23D C233 C231 104.3(17) . . ?
F23G C234 F23H 108.0(19) . . ?
F23G C234 F23I 106(2) . . ?
F23H C234 F23I 111(2) . . ?
F23G C234 C231 113.1(18) . . ?
F23H C234 C231 111(2) . . ?
F23I C234 C231 107.8(16) . . ?
F23K C235 F23O 117(5) . . ?
F23K C235 F23P 112(4) . . ?
F23O C235 F23P 97(4) . . ?
F23K C235 C231 116(4) . . ?
F23O C235 C231 110(4) . . ?
F23P C235 C231 101(4) . . ?
F23L C236 F23N 108(3) . . ?
F23L C236 C231 119(2) . . ?
F23N C236 C231 102(2) . . ?
F23L C236 F23E 103(2) . . ?
F23N C236 F23E 116(3) . . ?
C231 C236 F23E 110.4(18) . . ?
F23M C237 F23R 88(3) . . ?
F23M C237 F23S 113(3) . . ?
F23R C237 F23S 105(3) . . ?
F23M C237 C231 118(3) . . ?
F23R C237 C231 114(2) . . ?
F23S C237 C231 115(2) . . ?
C237 F23M F23R 46(2) . . ?
C237 F23R F23M 46(2) . . ?
O24 C241 C242 109.6(10) . . ?
O24 C241 C246 120.4(16) . . ?
O24 C241 C243 114.7(8) . . ?
C242 C241 C243 114.2(11) . . ?
O24 C241 C245 112.7(13) . . ?
C246 C241 C245 107(2) . . ?
O24 C241 C247 98(2) . . ?
C246 C241 C247 116(3) . . ?
C245 C241 C247 101(2) . . ?
O24 C241 C244 104.3(9) . . ?
C242 C241 C244 106.9(13) . . ?
C243 C241 C244 106.3(10) . . ?
F24B C242 F24A 107.1(19) . . ?
F24B C242 F24O 111.7(15) . . ?
F24A C242 F24O 106.6(19) . . ?
F24B C242 C241 110.8(17) . . ?
F24A C242 C241 110.4(13) . . ?
F24O C242 C241 110.2(16) . . ?
F24E C243 F24F 117.4(14) . . ?
F24E C243 F24D 99.7(13) . . ?
F24F C243 F24D 108.4(12) . . ?
F24E C243 C241 109.1(11) . . ?
F24F C243 C241 112.8(11) . . ?
F24D C243 C241 108.4(12) . . ?
F24G C244 F24H 107.8(14) . . ?
F24G C244 F24I 110.9(18) . . ?
F24H C244 F24I 108.8(13) . . ?
F24G C244 C241 111.3(11) . . ?
F24H C244 C241 110.3(15) . . ?
F24I C244 C241 107.7(12) . . ?
F24P C245 F24X 119(3) . . ?
F24P C245 C241 110(3) . . ?
F24X C245 C241 113(2) . . ?
F24P C245 F24C 115(4) . . ?
F24X C245 F24C 107(3) . . ?
C241 C245 F24C 90(2) . . ?
F24U C246 F24F 97(3) . . ?
F24U C246 F24V 120(4) . . ?
F24F C246 F24V 104(3) . . ?
F24U C246 C241 114(3) . . ?
F24F C246 C241 114(3) . . ?
F24V C246 C241 107(3) . . ?
F24R C247 F24K 124(5) . . ?
F24R C247 F24T 87(5) . . ?
F24K C247 F24T 97(4) . . ?
F24R C247 C241 113(4) . . ?
F24K C247 C241 119(4) . . ?
F24T C247 C241 107(4) . . ?
C247 F24T F24R 43(3) . . ?
C247 F24R F24T 50(3) . . ?
Cl1 C1S Cl2 112.9(8) . . ?
Cl1 C1S H1SA 109.0 . . ?
Cl2 C1S H1SA 109.0 . . ?
Cl1 C1S H1SB 109.0 . . ?
Cl2 C1S H1SB 109.0 . . ?
H1SA C1S H1SB 107.8 . . ?
Cl22 C2S Cl23 34.6(5) . . ?
Cl22 C2S H2SA 87.9 . . ?
Cl21 C2S H2SA 107.0 . . ?
Cl23 C2S H2SA 106.5 . . ?
Cl22 C2S H2SB 141.9 . . ?
Cl21 C2S H2SB 107.5 . . ?
Cl23 C2S H2SB 107.7 . . ?
H2SA C2S H2SB 105.3 . . ?
Cl23 Cl22 C2S 74.4(8) . . ?
Cl22 Cl23 C2S 70.9(8) . . ?

_refine_diff_density_max         1.148
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.111

_shelxl_version_number           2013-2

