# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_compound_4c-DCM
_database_code_depnum_ccdc_archive 'CCDC 1497157'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_RFACR01_AG121               
;
PROBLEM: The value of the weighted R factor is > 0.25
RESPONSE: (Alert C) Overal it was extremely difficult to have better quality data, even after numereous collects. Crystal was not diffracting well at high theta. Moreover, twining issue is suspected (numereous unequivalent reflections) even though no twin law could be found using twinrotmat or rotax. 
;
_vrf_PLAT606_AG121               
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure 
RESPONSE: More explanations can be found in the refine special details part
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            AG121
_chemical_formula_moiety         'C93 H81 Ag3 Cl2 N3 O3 P6, B F4, C H2 Cl2 '
_chemical_formula_sum            'C94 H83 Ag3 B Cl4 F4 N3 O3 P6'
_exptl_crystal_recrystallization_method 'DCM - Pentane'
_chemical_melting_point          ?

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless

_diffrn_ambient_temperature      173(2)
_chemical_formula_weight         2040.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_int_tables_number      14
_chemical_absolute_configuration ?

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                   10.25800(10)
_cell_length_b                   34.9966(5)
_cell_length_c                   29.4055(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.1040(10)
_cell_angle_gamma                90.00
_cell_volume                     10191.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    252205
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4128
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5944
_exptl_absorpt_correction_T_max  0.7893
_exptl_absorpt_process_details   
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;

_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            98194
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_sigmaI/netI    0.0952
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.00
_reflns_number_total             19790
_reflns_number_gt                10979
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'sir 92'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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. As mentionned in the respond
 alert section, good data set for this crystal was hard to achieve. Moreover,
 there are extensive disorders involving co-crystallized molecules of solvent.
 Two other molecules of DCM were found centered at the positions -0.01 -0.01 0.31 and -   0.17 0.01 0.01. The last one being close from an inversion center. None of these 
 molecules could stand an anisotropic modeling. Even with these two molecules of DCM 
 being retained in a modele, there are two others voids with electronic density  (accounting for disordered molecules of unknown species) around the special positions
 0 0.5 0 and 0.5 0 0.5.(Approx 126 A3). The Structure by itself shows a BF4 anion   disordered as well as librations of part of the phenylrings from the P-ligands., SQUEEZE
;

_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)+(0.1463P)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     SHELXL
_refine_ls_extinction_coef       0.00087(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         19790
_refine_ls_number_parameters     1049
_refine_ls_number_restraints     1024
_refine_ls_R_factor_all          0.1276
_refine_ls_R_factor_gt           0.0793
_refine_ls_wR_factor_ref         0.2630
_refine_ls_wR_factor_gt          0.2433
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.001

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.008 0.000 0.000 205 499 ' '
2 0.778 0.500 0.000 664 1318 ' '
3 0.288 0.879 0.117 19 40 ' '
4 0.384 0.314 0.154 11 31 ' '
5 0.322 0.000 0.500 664 1311 ' '
6 0.616 0.814 0.346 11 33 ' '
7 0.712 0.379 0.382 19 37 ' '
8 0.318 0.500 0.500 205 506 ' '
9 0.288 0.621 0.617 19 38 ' '
10 0.384 0.186 0.654 11 28 ' '
11 0.616 0.686 0.846 11 29 ' '
12 0.712 0.121 0.882 19 38 ' '
_platon_squeeze_details          
;
;

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 0.23781(6) -0.287103(15) 0.398430(19) 0.03482(18) Uani 1 1 d U . .
Ag2 Ag 0.16102(6) -0.208288(16) 0.345682(19) 0.03630(18) Uani 1 1 d U . .
Ag3 Ag 0.06681(6) -0.284719(16) 0.29581(2) 0.03738(19) Uani 1 1 d U . .
Cl1 Cl 0.32215(17) -0.26174(5) 0.32170(6) 0.0375(4) Uani 1 1 d U . .
Cl2 Cl -0.01016(17) -0.25764(5) 0.37122(6) 0.0370(4) Uani 1 1 d U . .
P1 P 0.26149(19) -0.17552(5) 0.42028(7) 0.0331(4) Uani 1 1 d U . .
P2 P 0.37466(18) -0.24975(5) 0.46484(6) 0.0315(4) Uani 1 1 d U . .
P3 P 0.04887(18) -0.17580(5) 0.27173(6) 0.0321(4) Uani 1 1 d U . .
P4 P -0.05762(18) -0.25022(5) 0.22651(6) 0.0306(4) Uani 1 1 d U . .
P5 P 0.03782(19) -0.35333(6) 0.29734(7) 0.0366(5) Uani 1 1 d U . .
P6 P 0.23134(19) -0.35708(6) 0.39290(7) 0.0344(5) Uani 1 1 d U . .
O1 O 0.6624(5) -0.11890(17) 0.6218(2) 0.0597(16) Uani 1 1 d U . .
O2 O -0.2753(6) -0.13018(17) 0.05164(19) 0.0593(15) Uani 1 1 d U . .
O3 O 0.0702(9) -0.5390(2) 0.3309(3) 0.107(3) Uani 1 1 d U . .
N1 N 0.3578(6) -0.20110(17) 0.4659(2) 0.0329(12) Uani 1 1 d U . .
N2 N -0.0412(6) -0.20158(16) 0.2241(2) 0.0308(12) Uani 1 1 d U . .
N3 N 0.1325(5) -0.37924(18) 0.3440(2) 0.0380(13) Uani 1 1 d U . .
C1 C 0.4374(7) -0.1798(2) 0.5078(3) 0.0358(15) Uani 1 1 d U . .
C2 C 0.5725(7) -0.1732(2) 0.5132(3) 0.0399(17) Uani 1 1 d U . .
H2 H 0.6146 -0.1824 0.4909 0.048 Uiso 1 1 calc R . .
C3 C 0.6471(8) -0.1526(2) 0.5523(3) 0.0468(18) Uani 1 1 d U . .
H3 H 0.7389 -0.1484 0.5564 0.056 Uiso 1 1 calc R . .
C4 C 0.5813(8) -0.1383(2) 0.5855(3) 0.0464(17) Uani 1 1 d U . .
C5 C 0.4467(8) -0.1449(2) 0.5798(3) 0.0445(18) Uani 1 1 d U . .
H5 H 0.4028 -0.1350 0.6012 0.053 Uiso 1 1 calc R . .
C6 C 0.3759(7) -0.1666(2) 0.5414(2) 0.0372(16) Uani 1 1 d U . .
H6 H 0.2855 -0.1724 0.5384 0.045 Uiso 1 1 calc R . .
C7 C 0.6007(10) -0.0950(3) 0.6499(4) 0.079(3) Uani 1 1 d U . .
H7A H 0.6661 -0.0885 0.6786 0.118 Uiso 1 1 calc R . .
H7B H 0.5267 -0.1083 0.6570 0.118 Uiso 1 1 calc R . .
H7C H 0.5680 -0.0720 0.6327 0.118 Uiso 1 1 calc R . .
C8 C 0.1285(8) -0.1544(2) 0.4427(3) 0.0409(16) Uani 1 1 d U . .
C9 C 0.0445(8) -0.1788(2) 0.4594(3) 0.0472(18) Uani 1 1 d U . .
H9 H 0.0650 -0.2048 0.4615 0.057 Uiso 1 1 calc R . .
C10 C -0.0656(8) -0.1668(3) 0.4728(3) 0.053(2) Uani 1 1 d U . .
H10 H -0.1176 -0.1839 0.4847 0.064 Uiso 1 1 calc R . .
C11 C -0.0984(10) -0.1285(3) 0.4684(4) 0.071(2) Uani 1 1 d U . .
H11 H -0.1746 -0.1196 0.4766 0.085 Uiso 1 1 calc R . .
C12 C -0.0179(10) -0.1037(3) 0.4518(4) 0.084(3) Uani 1 1 d U . .
H12 H -0.0371 -0.0777 0.4502 0.101 Uiso 1 1 calc R . .
C13 C 0.0887(10) -0.1169(3) 0.4378(4) 0.070(2) Uani 1 1 d U . .
H13 H 0.1373 -0.0998 0.4242 0.084 Uiso 1 1 calc R . .
C14 C 0.3686(7) -0.1353(2) 0.4131(3) 0.0380(16) Uani 1 1 d U . .
C15 C 0.4091(9) -0.1065(2) 0.4453(3) 0.053(2) Uani 1 1 d U . .
H15 H 0.3835 -0.1070 0.4734 0.064 Uiso 1 1 calc R . .
C16 C 0.4884(9) -0.0766(3) 0.4363(3) 0.068(2) Uani 1 1 d U . .
H16 H 0.5175 -0.0575 0.4587 0.082 Uiso 1 1 calc R . .
C17 C 0.5243(10) -0.0750(3) 0.3938(4) 0.077(3) Uani 1 1 d U . .
H17 H 0.5761 -0.0550 0.3870 0.092 Uiso 1 1 calc R . .
C18 C 0.4791(10) -0.1046(3) 0.3618(4) 0.075(3) Uani 1 1 d U . .
H18 H 0.5003 -0.1041 0.3329 0.090 Uiso 1 1 calc R . .
C19 C 0.4069(8) -0.1334(3) 0.3713(3) 0.053(2) Uani 1 1 d U . .
H19 H 0.3813 -0.1530 0.3494 0.064 Uiso 1 1 calc R . .
C20 C 0.3551(7) -0.2661(2) 0.5218(2) 0.0352(15) Uani 1 1 d U . .
C21 C 0.4448(7) -0.2586(2) 0.5646(3) 0.0418(17) Uani 1 1 d U . .
H21 H 0.5210 -0.2438 0.5661 0.050 Uiso 1 1 calc R . .
C22 C 0.4204(8) -0.2736(2) 0.6060(3) 0.0468(18) Uani 1 1 d U . .
H22 H 0.4806 -0.2685 0.6350 0.056 Uiso 1 1 calc R . .
C23 C 0.3093(9) -0.2955(3) 0.6040(3) 0.059(2) Uani 1 1 d U . .
H23 H 0.2928 -0.3052 0.6314 0.071 Uiso 1 1 calc R . .
C24 C 0.2231(9) -0.3030(3) 0.5613(3) 0.065(2) Uani 1 1 d U . .
H24 H 0.1489 -0.3187 0.5597 0.079 Uiso 1 1 calc R . .
C25 C 0.2431(8) -0.2878(2) 0.5205(3) 0.0456(19) Uani 1 1 d U . .
H25 H 0.1802 -0.2922 0.4919 0.055 Uiso 1 1 calc R . .
C26 C 0.5499(7) -0.25697(19) 0.4649(2) 0.0324(14) Uani 1 1 d U . .
C27 C 0.6375(7) -0.2810(2) 0.4972(3) 0.0362(16) Uani 1 1 d U . .
H27 H 0.6100 -0.2923 0.5217 0.043 Uiso 1 1 calc R . .
C28 C 0.7673(8) -0.2873(2) 0.4917(3) 0.0468(19) Uani 1 1 d U . .
H28 H 0.8276 -0.3021 0.5139 0.056 Uiso 1 1 calc R . .
C29 C 0.8068(8) -0.2731(2) 0.4559(3) 0.0467(18) Uani 1 1 d U . .
H29 H 0.8935 -0.2783 0.4533 0.056 Uiso 1 1 calc R . .
C30 C 0.7223(8) -0.2504(2) 0.4221(3) 0.0506(19) Uani 1 1 d U . .
H30 H 0.7499 -0.2406 0.3967 0.061 Uiso 1 1 calc R . .
C31 C 0.5903(7) -0.2429(2) 0.4279(3) 0.0381(16) Uani 1 1 d U . .
H31 H 0.5309 -0.2279 0.4057 0.046 Uiso 1 1 calc R . .
C32 C -0.1073(7) -0.18214(19) 0.1805(2) 0.0320(14) Uani 1 1 d U . .
C33 C -0.0326(7) -0.1739(2) 0.1480(3) 0.0361(16) Uani 1 1 d U . .
H33 H 0.0584 -0.1804 0.1552 0.043 Uiso 1 1 calc R . .
C34 C -0.0906(8) -0.1564(2) 0.1059(3) 0.0444(17) Uani 1 1 d U . .
H34 H -0.0392 -0.1509 0.0849 0.053 Uiso 1 1 calc R . .
C35 C -0.2247(8) -0.1471(2) 0.0949(3) 0.0450(17) Uani 1 1 d U . .
C36 C -0.3045(8) -0.1545(2) 0.1261(3) 0.0442(18) Uani 1 1 d U . .
H36 H -0.3959 -0.1485 0.1184 0.053 Uiso 1 1 calc R . .
C37 C -0.2398(7) -0.1717(2) 0.1696(3) 0.0396(17) Uani 1 1 d U . .
H37 H -0.2892 -0.1760 0.1915 0.048 Uiso 1 1 calc R . .
C38 C -0.4159(9) -0.1222(3) 0.0380(3) 0.081(3) Uani 1 1 d U . .
H38A H -0.4378 -0.1087 0.0086 0.121 Uiso 1 1 calc R . .
H38B H -0.4392 -0.1067 0.0617 0.121 Uiso 1 1 calc R . .
H38C H -0.4656 -0.1457 0.0346 0.121 Uiso 1 1 calc R . .
C39 C 0.1804(7) -0.1522(2) 0.2499(3) 0.0385(16) Uani 1 1 d U . .
C40 C 0.2731(7) -0.1754(2) 0.2384(3) 0.0421(17) Uani 1 1 d U . .
H40 H 0.2641 -0.2018 0.2395 0.050 Uiso 1 1 calc R . .
C41 C 0.3830(9) -0.1592(3) 0.2248(3) 0.064(2) Uani 1 1 d U . .
H41 H 0.4454 -0.1751 0.2163 0.076 Uiso 1 1 calc R . .
C42 C 0.3986(10) -0.1221(3) 0.2239(4) 0.081(3) Uani 1 1 d U . .
H42 H 0.4678 -0.1119 0.2126 0.097 Uiso 1 1 calc R . .
C43 C 0.3079(10) -0.0963(3) 0.2406(4) 0.089(3) Uani 1 1 d U . .
H43 H 0.3258 -0.0703 0.2445 0.106 Uiso 1 1 calc R . .
C44 C 0.1969(9) -0.1119(3) 0.2501(4) 0.070(2) Uani 1 1 d U . .
H44 H 0.1313 -0.0962 0.2568 0.084 Uiso 1 1 calc R . .
C45 C -0.0657(7) -0.1397(2) 0.2809(3) 0.0388(16) Uani 1 1 d U . .
C46 C -0.1115(9) -0.1425(3) 0.3214(3) 0.056(2) Uani 1 1 d U . .
H46 H -0.0776 -0.1617 0.3431 0.067 Uiso 1 1 calc R . .
C47 C -0.2051(10) -0.1177(3) 0.3298(3) 0.073(3) Uani 1 1 d U . .
H47 H -0.2346 -0.1203 0.3570 0.087 Uiso 1 1 calc R . .
C48 C -0.2558(10) -0.0891(3) 0.2985(4) 0.074(3) Uani 1 1 d U . .
H48 H -0.3180 -0.0719 0.3048 0.089 Uiso 1 1 calc R . .
C49 C -0.2151(9) -0.0859(3) 0.2580(4) 0.063(2) Uani 1 1 d U . .
H49 H -0.2518 -0.0668 0.2364 0.075 Uiso 1 1 calc R . .
C50 C -0.1203(7) -0.1104(2) 0.2488(3) 0.0447(18) Uani 1 1 d U . .
H50 H -0.0924 -0.1076 0.2214 0.054 Uiso 1 1 calc R . .
C51 C -0.0240(7) -0.26610(19) 0.1725(2) 0.0325(15) Uani 1 1 d U . .
C52 C 0.1051(7) -0.2794(2) 0.1753(3) 0.0444(18) Uani 1 1 d U . .
H52 H 0.1665 -0.2811 0.2047 0.053 Uiso 1 1 calc R . .
C53 C 0.1458(9) -0.2901(2) 0.1363(3) 0.056(2) Uani 1 1 d U . .
H53 H 0.2332 -0.2991 0.1399 0.068 Uiso 1 1 calc R . .
C54 C 0.0586(9) -0.2877(2) 0.0920(3) 0.055(2) Uani 1 1 d U . .
H54 H 0.0854 -0.2952 0.0655 0.066 Uiso 1 1 calc R . .
C55 C -0.0713(9) -0.2736(2) 0.0882(3) 0.053(2) Uani 1 1 d U . .
H55 H -0.1316 -0.2711 0.0586 0.063 Uiso 1 1 calc R . .
C56 C -0.1106(7) -0.2633(2) 0.1275(3) 0.0386(17) Uani 1 1 d U . .
H56 H -0.1978 -0.2543 0.1241 0.046 Uiso 1 1 calc R . .
C57 C -0.2347(7) -0.2600(2) 0.2210(2) 0.0354(15) Uani 1 1 d U . .
C58 C -0.2954(7) -0.2396(2) 0.2517(3) 0.0418(17) Uani 1 1 d U . .
H58 H -0.2495 -0.2194 0.2694 0.050 Uiso 1 1 calc R . .
C59 C -0.4222(7) -0.2495(2) 0.2554(3) 0.0465(18) Uani 1 1 d U . .
H59 H -0.4602 -0.2365 0.2764 0.056 Uiso 1 1 calc R . .
C60 C -0.4925(8) -0.2783(3) 0.2283(3) 0.055(2) Uani 1 1 d U . .
H60 H -0.5777 -0.2849 0.2313 0.066 Uiso 1 1 calc R . .
C61 C -0.4395(8) -0.2975(3) 0.1970(3) 0.054(2) Uani 1 1 d U . .
H61 H -0.4894 -0.3162 0.1776 0.065 Uiso 1 1 calc R . .
C62 C -0.3078(7) -0.2884(2) 0.1944(3) 0.0412(17) Uani 1 1 d U . .
H62 H -0.2698 -0.3022 0.1740 0.049 Uiso 1 1 calc R . .
C63 C 0.1183(8) -0.4209(2) 0.3428(3) 0.0468(17) Uani 1 1 d U . .
C64 C 0.0303(8) -0.4384(2) 0.3645(3) 0.056(2) Uani 1 1 d U . .
H64 H -0.0192 -0.4237 0.3805 0.067 Uiso 1 1 calc R . .
C65 C 0.0149(10) -0.4778(3) 0.3628(3) 0.070(2) Uani 1 1 d U . .
H65 H -0.0423 -0.4900 0.3782 0.084 Uiso 1 1 calc R . .
C66 C 0.0888(12) -0.4989(3) 0.3370(4) 0.080(2) Uani 1 1 d U . .
C67 C 0.1678(11) -0.4815(3) 0.3142(3) 0.072(2) Uani 1 1 d U . .
H67 H 0.2119 -0.4958 0.2960 0.087 Uiso 1 1 calc R . .
C68 C 0.1844(9) -0.4435(2) 0.3171(3) 0.058(2) Uani 1 1 d U . .
H68 H 0.2420 -0.4319 0.3015 0.070 Uiso 1 1 calc R . .
C69 C -0.0145(14) -0.5569(3) 0.3547(4) 0.116(4) Uani 1 1 d U . .
H69A H 0.0006 -0.5840 0.3552 0.175 Uiso 1 1 calc R . .
H69B H -0.1070 -0.5516 0.3388 0.175 Uiso 1 1 calc R . .
H69C H 0.0046 -0.5475 0.3864 0.175 Uiso 1 1 calc R . .
C70 C 0.0839(8) -0.3707(2) 0.2453(3) 0.0408(16) Uani 1 1 d U . .
C71 C 0.2195(9) -0.3708(2) 0.2468(3) 0.0528(19) Uani 1 1 d U . .
H71 H 0.2835 -0.3659 0.2751 0.063 Uiso 1 1 calc R . .
C72 C 0.2610(10) -0.3782(3) 0.2056(3) 0.066(2) Uani 1 1 d U . .
H72 H 0.3520 -0.3772 0.2061 0.079 Uiso 1 1 calc R . .
C73 C 0.1636(11) -0.3871(3) 0.1636(4) 0.078(3) Uani 1 1 d U . .
H73 H 0.1893 -0.3929 0.1363 0.093 Uiso 1 1 calc R . .
C74 C 0.0354(11) -0.3869(3) 0.1637(3) 0.074(3) Uani 1 1 d U . .
H74 H -0.0288 -0.3928 0.1358 0.089 Uiso 1 1 calc R . .
C75 C -0.0092(10) -0.3782(3) 0.2038(3) 0.062(2) Uani 1 1 d U . .
H75 H -0.1010 -0.3776 0.2020 0.075 Uiso 1 1 calc R . .
C76 C -0.1380(7) -0.3693(2) 0.2900(3) 0.0455(17) Uani 1 1 d U . .
C77 C -0.2295(8) -0.3443(3) 0.3024(3) 0.0515(19) Uani 1 1 d U . .
H77 H -0.2015 -0.3198 0.3125 0.062 Uiso 1 1 calc R . .
C78 C -0.3545(9) -0.3548(3) 0.3000(3) 0.064(2) Uani 1 1 d U . .
H78 H -0.4152 -0.3373 0.3067 0.077 Uiso 1 1 calc R . .
C79 C -0.3951(9) -0.3915(3) 0.2878(3) 0.072(2) Uani 1 1 d U . .
H79 H -0.4825 -0.3989 0.2874 0.087 Uiso 1 1 calc R . .
C80 C -0.3101(9) -0.4175(3) 0.2761(3) 0.067(2) Uani 1 1 d U . .
H80 H -0.3404 -0.4421 0.2672 0.080 Uiso 1 1 calc R . .
C81 C -0.1768(8) -0.4071(3) 0.2776(3) 0.054(2) Uani 1 1 d U . .
H81 H -0.1167 -0.4246 0.2706 0.065 Uiso 1 1 calc R . .
C82 C 0.1695(7) -0.3743(2) 0.4418(3) 0.0378(16) Uani 1 1 d U . .
C83 C 0.0423(7) -0.3633(2) 0.4448(3) 0.0425(17) Uani 1 1 d U . .
H83 H -0.0087 -0.3474 0.4215 0.051 Uiso 1 1 calc R . .
C84 C -0.0117(8) -0.3747(2) 0.4806(3) 0.0511(19) Uani 1 1 d U . .
H84 H -0.0995 -0.3677 0.4801 0.061 Uiso 1 1 calc R . .
C85 C 0.0617(9) -0.3961(2) 0.5167(3) 0.057(2) Uani 1 1 d U . .
H85 H 0.0261 -0.4034 0.5414 0.068 Uiso 1 1 calc R . .
C86 C 0.1885(9) -0.4067(3) 0.5159(3) 0.059(2) Uani 1 1 d U . .
H86 H 0.2408 -0.4207 0.5410 0.071 Uiso 1 1 calc R . .
C87 C 0.2420(8) -0.3971(2) 0.4785(3) 0.0489(19) Uani 1 1 d U . .
H87 H 0.3271 -0.4060 0.4781 0.059 Uiso 1 1 calc R . .
C88 C 0.3977(7) -0.3782(2) 0.4022(2) 0.0358(15) Uani 1 1 d U . .
C89 C 0.5083(7) -0.3535(2) 0.4043(3) 0.0459(18) Uani 1 1 d U . .
H89 H 0.4941 -0.3273 0.4032 0.055 Uiso 1 1 calc R . .
C90 C 0.6358(8) -0.3672(3) 0.4079(3) 0.058(2) Uani 1 1 d U . .
H90 H 0.7053 -0.3507 0.4060 0.069 Uiso 1 1 calc R . .
C91 C 0.6594(8) -0.4061(3) 0.4143(3) 0.057(2) Uani 1 1 d U . .
H91 H 0.7471 -0.4154 0.4201 0.068 Uiso 1 1 calc R . .
C92 C 0.5563(8) -0.4306(2) 0.4124(3) 0.0505(19) Uani 1 1 d U . .
H92 H 0.5738 -0.4567 0.4150 0.061 Uiso 1 1 calc R . .
C93 C 0.4250(8) -0.4178(2) 0.4066(3) 0.0444(18) Uani 1 1 d U . .
H93 H 0.3556 -0.4351 0.4057 0.053 Uiso 1 1 calc R . .
Cl3 Cl -0.4458(6) -0.0553(2) 0.1389(2) 0.216(3) Uani 1 1 d DU . .
Cl4 Cl -0.6926(5) -0.01944(16) 0.1237(3) 0.212(3) Uani 1 1 d DU . .
C95 C -0.5294(14) -0.0254(4) 0.1658(5) 0.134(4) Uani 1 1 d DU . .
H95A H -0.4827 -0.0011 0.1725 0.161 Uiso 1 1 calc R . .
H95B H -0.5394 -0.0363 0.1950 0.161 Uiso 1 1 calc R . .
F1 F -0.5517(10) -0.4640(3) 0.1892(4) 0.219(3) Uani 1 1 d DU . .
F2 F -0.7169(9) -0.4980(3) 0.1913(4) 0.219(3) Uani 1 1 d DU . .
F3 F -0.6080(10) -0.4720(3) 0.2508(4) 0.219(3) Uani 1 1 d DU . .
F4 F -0.5147(10) -0.5166(3) 0.2260(4) 0.219(3) Uani 1 1 d DU . .
B1 B -0.5995(14) -0.4881(4) 0.2138(5) 0.206(4) Uani 1 1 d DU . .


_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 P6 2.454(2) . ?
Ag1 P2 2.4627(19) . ?
Ag1 Cl2 2.6670(18) . ?
Ag1 Cl1 2.7650(18) . ?
Ag1 Ag3 3.0709(8) . ?
Ag1 Ag2 3.1619(8) . ?
Ag2 P1 2.4518(19) . ?
Ag2 P3 2.4581(19) . ?
Ag2 Cl2 2.7051(18) . ?
Ag2 Cl1 2.7085(19) . ?
Ag2 Ag3 3.0823(8) . ?
Ag3 P5 2.422(2) . ?
Ag3 P4 2.4258(19) . ?
Ag3 Cl1 2.6548(18) . ?
Ag3 Cl2 2.7113(18) . ?
P1 N1 1.698(6) . ?
P1 C8 1.820(8) . ?
P1 C14 1.832(7) . ?
P2 N1 1.712(6) . ?
P2 C26 1.815(7) . ?
P2 C20 1.829(7) . ?
P3 N2 1.720(6) . ?
P3 C45 1.793(7) . ?
P3 C39 1.834(7) . ?
P4 N2 1.714(6) . ?
P4 C51 1.800(7) . ?
P4 C57 1.815(7) . ?
P5 N3 1.719(6) . ?
P5 C70 1.821(8) . ?
P5 C76 1.847(8) . ?
P6 N3 1.713(6) . ?
P6 C88 1.814(7) . ?
P6 C82 1.818(7) . ?
O1 C4 1.353(9) . ?
O1 C7 1.433(10) . ?
O2 C35 1.376(9) . ?
O2 C38 1.421(10) . ?
O3 C69 1.398(13) . ?
O3 C66 1.422(12) . ?
N1 C1 1.490(9) . ?
N2 C32 1.454(9) . ?
N3 C63 1.463(10) . ?
C1 C2 1.373(10) . ?
C1 C6 1.383(10) . ?
C2 C3 1.403(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.416(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(10) . ?
C5 C6 1.398(10) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C13 1.371(11) . ?
C8 C9 1.392(10) . ?
C9 C10 1.357(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.374(13) . ?
C11 H11 0.9300 . ?
C12 C13 1.346(12) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.370(11) . ?
C14 C19 1.386(10) . ?
C15 C16 1.394(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.393(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.396(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.324(11) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.369(10) . ?
C20 C21 1.377(9) . ?
C21 C22 1.407(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.362(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.359(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.377(11) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C31 1.353(9) . ?
C26 C27 1.404(10) . ?
C27 C28 1.401(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.321(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.384(11) . ?
C29 H29 0.9300 . ?
C30 C31 1.433(10) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C37 1.363(9) . ?
C32 C33 1.400(10) . ?
C33 C34 1.371(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.367(11) . ?
C34 H34 0.9300 . ?
C35 C36 1.402(11) . ?
C36 C37 1.412(10) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 C40 1.360(10) . ?
C39 C44 1.418(11) . ?
C40 C41 1.410(11) . ?
C40 H40 0.9300 . ?
C41 C42 1.311(13) . ?
C41 H41 0.9300 . ?
C42 C43 1.469(14) . ?
C42 H42 0.9300 . ?
C43 C44 1.356(11) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 C46 1.391(10) . ?
C45 C50 1.407(10) . ?
C46 C47 1.363(11) . ?
C46 H46 0.9300 . ?
C47 C48 1.368(13) . ?
C47 H47 0.9300 . ?
C48 C49 1.364(12) . ?
C48 H48 0.9300 . ?
C49 C50 1.376(11) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 C52 1.385(10) . ?
C51 C56 1.390(9) . ?
C52 C53 1.369(11) . ?
C52 H52 0.9300 . ?
C53 C54 1.378(12) . ?
C53 H53 0.9300 . ?
C54 C55 1.399(12) . ?
C54 H54 0.9300 . ?
C55 C56 1.368(10) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C62 1.363(10) . ?
C57 C58 1.416(10) . ?
C58 C59 1.378(10) . ?
C58 H58 0.9300 . ?
C59 C60 1.369(12) . ?
C59 H59 0.9300 . ?
C60 C61 1.361(12) . ?
C60 H60 0.9300 . ?
C61 C62 1.409(10) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 C64 1.379(11) . ?
C63 C68 1.387(11) . ?
C64 C65 1.388(11) . ?
C64 H64 0.9300 . ?
C65 C66 1.413(14) . ?
C65 H65 0.9300 . ?
C66 C67 1.326(14) . ?
C67 C68 1.343(11) . ?
C67 H67 0.9300 . ?
C68 H68 0.9300 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 C75 1.364(11) . ?
C70 C71 1.381(10) . ?
C71 C72 1.410(11) . ?
C71 H71 0.9300 . ?
C72 C73 1.406(14) . ?
C72 H72 0.9300 . ?
C73 C74 1.316(13) . ?
C73 H73 0.9300 . ?
C74 C75 1.405(12) . ?
C74 H74 0.9300 . ?
C75 H75 0.9300 . ?
C76 C77 1.400(11) . ?
C76 C81 1.401(11) . ?
C77 C78 1.318(11) . ?
C77 H77 0.9300 . ?
C78 C79 1.369(14) . ?
C78 H78 0.9300 . ?
C79 C80 1.364(13) . ?
C79 H79 0.9300 . ?
C80 C81 1.404(11) . ?
C80 H80 0.9300 . ?
C81 H81 0.9300 . ?
C82 C83 1.386(10) . ?
C82 C87 1.391(10) . ?
C83 C84 1.370(10) . ?
C83 H83 0.9300 . ?
C84 C85 1.356(12) . ?
C84 H84 0.9300 . ?
C85 C86 1.358(11) . ?
C85 H85 0.9300 . ?
C86 C87 1.393(11) . ?
C86 H86 0.9300 . ?
C87 H87 0.9300 . ?
C88 C93 1.411(10) . ?
C88 C89 1.415(10) . ?
C89 C90 1.370(10) . ?
C89 H89 0.9300 . ?
C90 C91 1.387(12) . ?
C90 H90 0.9300 . ?
C91 C92 1.353(11) . ?
C91 H91 0.9300 . ?
C92 C93 1.388(10) . ?
C92 H92 0.9300 . ?
C93 H93 0.9300 . ?
Cl3 C95 1.678(14) . ?
Cl4 C95 1.816(15) . ?
C95 H95A 0.9700 . ?
C95 H95B 0.9700 . ?
F1 B1 1.287(12) . ?
F2 B1 1.263(12) . ?
F3 B1 1.247(13) . ?
F4 B1 1.311(13) . ?

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
P6 Ag1 P2 125.61(7) . . ?
P6 Ag1 Cl2 111.02(6) . . ?
P2 Ag1 Cl2 109.55(6) . . ?
P6 Ag1 Cl1 105.97(6) . . ?
P2 Ag1 Cl1 103.99(6) . . ?
Cl2 Ag1 Cl1 96.19(6) . . ?
P6 Ag1 Ag3 87.90(5) . . ?
P2 Ag1 Ag3 145.73(5) . . ?
Cl2 Ag1 Ag3 55.86(4) . . ?
Cl1 Ag1 Ag3 53.81(4) . . ?
P6 Ag1 Ag2 147.04(5) . . ?
P2 Ag1 Ag2 86.76(5) . . ?
Cl2 Ag1 Ag2 54.50(4) . . ?
Cl1 Ag1 Ag2 53.88(4) . . ?
Ag3 Ag1 Ag2 59.255(17) . . ?
P1 Ag2 P3 124.47(7) . . ?
P1 Ag2 Cl2 101.66(6) . . ?
P3 Ag2 Cl2 110.67(6) . . ?
P1 Ag2 Cl1 114.41(6) . . ?
P3 Ag2 Cl1 105.41(6) . . ?
Cl2 Ag2 Cl1 96.64(6) . . ?
P1 Ag2 Ag3 146.94(5) . . ?
P3 Ag2 Ag3 87.94(5) . . ?
Cl2 Ag2 Ag3 55.41(4) . . ?
Cl1 Ag2 Ag3 54.11(4) . . ?
P1 Ag2 Ag1 88.63(5) . . ?
P3 Ag2 Ag1 146.81(5) . . ?
Cl2 Ag2 Ag1 53.39(4) . . ?
Cl1 Ag2 Ag1 55.55(4) . . ?
Ag3 Ag2 Ag1 58.902(18) . . ?
P5 Ag3 P4 117.96(7) . . ?
P5 Ag3 Cl1 114.32(6) . . ?
P4 Ag3 Cl1 110.73(6) . . ?
P5 Ag3 Cl2 105.55(6) . . ?
P4 Ag3 Cl2 108.15(6) . . ?
Cl1 Ag3 Cl2 97.78(6) . . ?
P5 Ag3 Ag1 89.79(5) . . ?
P4 Ag3 Ag1 151.62(5) . . ?
Cl1 Ag3 Ag1 57.20(4) . . ?
Cl2 Ag3 Ag1 54.51(4) . . ?
P5 Ag3 Ag2 151.23(5) . . ?
P4 Ag3 Ag2 89.94(5) . . ?
Cl1 Ag3 Ag2 55.74(4) . . ?
Cl2 Ag3 Ag2 55.22(4) . . ?
Ag1 Ag3 Ag2 61.842(17) . . ?
Ag3 Cl1 Ag2 70.15(4) . . ?
Ag3 Cl1 Ag1 69.00(4) . . ?
Ag2 Cl1 Ag1 70.57(4) . . ?
Ag1 Cl2 Ag2 72.11(4) . . ?
Ag1 Cl2 Ag3 69.63(4) . . ?
Ag2 Cl2 Ag3 69.37(4) . . ?
N1 P1 C8 105.4(3) . . ?
N1 P1 C14 104.7(3) . . ?
C8 P1 C14 104.9(4) . . ?
N1 P1 Ag2 118.8(2) . . ?
C8 P1 Ag2 109.5(3) . . ?
C14 P1 Ag2 112.4(2) . . ?
N1 P2 C26 104.1(3) . . ?
N1 P2 C20 105.0(3) . . ?
C26 P2 C20 107.5(3) . . ?
N1 P2 Ag1 120.1(2) . . ?
C26 P2 Ag1 106.6(2) . . ?
C20 P2 Ag1 112.6(2) . . ?
N2 P3 C45 105.0(3) . . ?
N2 P3 C39 103.9(3) . . ?
C45 P3 C39 107.8(4) . . ?
N2 P3 Ag2 120.4(2) . . ?
C45 P3 Ag2 111.5(3) . . ?
C39 P3 Ag2 107.5(2) . . ?
N2 P4 C51 103.1(3) . . ?
N2 P4 C57 106.9(3) . . ?
C51 P4 C57 106.3(3) . . ?
N2 P4 Ag3 119.6(2) . . ?
C51 P4 Ag3 114.1(2) . . ?
C57 P4 Ag3 106.0(2) . . ?
N3 P5 C70 106.2(3) . . ?
N3 P5 C76 105.3(3) . . ?
C70 P5 C76 105.0(4) . . ?
N3 P5 Ag3 119.4(2) . . ?
C70 P5 Ag3 104.8(2) . . ?
C76 P5 Ag3 114.8(3) . . ?
N3 P6 C88 105.6(3) . . ?
N3 P6 C82 105.1(3) . . ?
C88 P6 C82 104.7(3) . . ?
N3 P6 Ag1 120.5(2) . . ?
C88 P6 Ag1 112.9(2) . . ?
C82 P6 Ag1 106.7(2) . . ?
C4 O1 C7 118.3(7) . . ?
C35 O2 C38 117.1(7) . . ?
C69 O3 C66 117.5(9) . . ?
C1 N1 P1 118.1(5) . . ?
C1 N1 P2 118.4(5) . . ?
P1 N1 P2 123.4(4) . . ?
C32 N2 P4 118.3(5) . . ?
C32 N2 P3 120.1(4) . . ?
P4 N2 P3 121.7(3) . . ?
C63 N3 P6 120.3(5) . . ?
C63 N3 P5 118.3(5) . . ?
P6 N3 P5 121.3(4) . . ?
C2 C1 C6 119.7(7) . . ?
C2 C1 N1 120.0(6) . . ?
C6 C1 N1 120.3(6) . . ?
C1 C2 C3 120.0(7) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 C4 119.4(7) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
O1 C4 C5 125.2(8) . . ?
O1 C4 C3 114.6(7) . . ?
C5 C4 C3 120.2(7) . . ?
C4 C5 C6 119.1(7) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C1 C6 C5 121.4(7) . . ?
C1 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C8 C9 115.6(8) . . ?
C13 C8 P1 125.6(6) . . ?
C9 C8 P1 117.9(6) . . ?
C10 C9 C8 123.4(8) . . ?
C10 C9 H9 118.3 . . ?
C8 C9 H9 118.3 . . ?
C9 C10 C11 118.4(9) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 120.8 . . ?
C12 C11 C10 119.6(9) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C13 C12 C11 120.3(10) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C8 122.6(9) . . ?
C12 C13 H13 118.7 . . ?
C8 C13 H13 118.7 . . ?
C15 C14 C19 118.3(7) . . ?
C15 C14 P1 124.6(6) . . ?
C19 C14 P1 117.0(6) . . ?
C14 C15 C16 120.5(8) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 120.3(9) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 117.2(8) . . ?
C16 C17 H17 121.4 . . ?
C18 C17 H17 121.4 . . ?
C19 C18 C17 121.9(9) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C18 C19 C14 121.8(9) . . ?
C18 C19 H19 119.1 . . ?
C14 C19 H19 119.1 . . ?
C25 C20 C21 119.1(7) . . ?
C25 C20 P2 116.1(6) . . ?
C21 C20 P2 124.8(6) . . ?
C20 C21 C22 119.6(7) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 120.5(8) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C22 119.0(8) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C23 C24 C25 121.4(8) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C20 C25 C24 120.4(8) . . ?
C20 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C31 C26 C27 119.1(7) . . ?
C31 C26 P2 117.3(6) . . ?
C27 C26 P2 122.9(5) . . ?
C28 C27 C26 118.5(7) . . ?
C28 C27 H27 120.8 . . ?
C26 C27 H27 120.8 . . ?
C29 C28 C27 122.0(8) . . ?
C29 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C28 C29 C30 121.6(7) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C29 C30 C31 117.0(7) . . ?
C29 C30 H30 121.5 . . ?
C31 C30 H30 121.5 . . ?
C26 C31 C30 121.7(7) . . ?
C26 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C37 C32 C33 118.2(7) . . ?
C37 C32 N2 122.7(6) . . ?
C33 C32 N2 119.1(6) . . ?
C34 C33 C32 121.5(7) . . ?
C34 C33 H33 119.3 . . ?
C32 C33 H33 119.3 . . ?
C35 C34 C33 119.5(7) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 O2 115.7(7) . . ?
C34 C35 C36 121.6(7) . . ?
O2 C35 C36 122.7(7) . . ?
C35 C36 C37 117.0(7) . . ?
C35 C36 H36 121.5 . . ?
C37 C36 H36 121.5 . . ?
C32 C37 C36 122.1(7) . . ?
C32 C37 H37 118.9 . . ?
C36 C37 H37 118.9 . . ?
O2 C38 H38A 109.5 . . ?
O2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
O2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C44 120.2(7) . . ?
C40 C39 P3 116.3(6) . . ?
C44 C39 P3 123.0(6) . . ?
C39 C40 C41 119.6(8) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 H40 120.2 . . ?
C42 C41 C40 121.0(9) . . ?
C42 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
C41 C42 C43 120.7(9) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C44 C43 C42 117.4(10) . . ?
C44 C43 H43 121.3 . . ?
C42 C43 H43 121.3 . . ?
C43 C44 C39 120.4(9) . . ?
C43 C44 H44 119.8 . . ?
C39 C44 H44 119.8 . . ?
C46 C45 C50 117.3(7) . . ?
C46 C45 P3 117.5(6) . . ?
C50 C45 P3 125.0(6) . . ?
C47 C46 C45 121.5(8) . . ?
C47 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C46 C47 C48 120.3(9) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C49 C48 C47 120.0(9) . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 120.7(9) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C49 C50 C45 120.1(8) . . ?
C49 C50 H50 119.9 . . ?
C45 C50 H50 119.9 . . ?
C52 C51 C56 116.4(7) . . ?
C52 C51 P4 116.8(5) . . ?
C56 C51 P4 126.5(5) . . ?
C53 C52 C51 122.5(7) . . ?
C53 C52 H52 118.8 . . ?
C51 C52 H52 118.8 . . ?
C52 C53 C54 120.7(8) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C53 C54 C55 117.9(8) . . ?
C53 C54 H54 121.0 . . ?
C55 C54 H54 121.0 . . ?
C56 C55 C54 120.6(8) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C56 C51 122.0(7) . . ?
C55 C56 H56 119.0 . . ?
C51 C56 H56 119.0 . . ?
C62 C57 C58 117.9(6) . . ?
C62 C57 P4 125.2(6) . . ?
C58 C57 P4 116.3(6) . . ?
C59 C58 C57 120.2(7) . . ?
C59 C58 H58 119.9 . . ?
C57 C58 H58 119.9 . . ?
C60 C59 C58 120.3(8) . . ?
C60 C59 H59 119.9 . . ?
C58 C59 H59 119.9 . . ?
C61 C60 C59 121.0(8) . . ?
C61 C60 H60 119.5 . . ?
C59 C60 H60 119.5 . . ?
C60 C61 C62 118.9(8) . . ?
C60 C61 H61 120.5 . . ?
C62 C61 H61 120.5 . . ?
C57 C62 C61 121.5(8) . . ?
C57 C62 H62 119.2 . . ?
C61 C62 H62 119.2 . . ?
C64 C63 C68 118.1(8) . . ?
C64 C63 N3 120.3(8) . . ?
C68 C63 N3 121.5(7) . . ?
C63 C64 C65 120.5(9) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C64 C65 C66 117.8(9) . . ?
C64 C65 H65 121.1 . . ?
C66 C65 H65 121.1 . . ?
C67 C66 C65 121.2(10) . . ?
C67 C66 O3 117.9(10) . . ?
C65 C66 O3 120.6(10) . . ?
C66 C67 C68 120.4(11) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C67 C68 C63 121.9(10) . . ?
C67 C68 H68 119.0 . . ?
C63 C68 H68 119.0 . . ?
O3 C69 H69A 109.5 . . ?
O3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
O3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C75 C70 C71 119.6(8) . . ?
C75 C70 P5 122.8(7) . . ?
C71 C70 P5 116.9(6) . . ?
C70 C71 C72 119.9(9) . . ?
C70 C71 H71 120.0 . . ?
C72 C71 H71 120.0 . . ?
C73 C72 C71 119.4(9) . . ?
C73 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
C74 C73 C72 118.7(9) . . ?
C74 C73 H73 120.7 . . ?
C72 C73 H73 120.7 . . ?
C73 C74 C75 123.1(10) . . ?
C73 C74 H74 118.5 . . ?
C75 C74 H74 118.4 . . ?
C70 C75 C74 119.2(9) . . ?
C70 C75 H75 120.4 . . ?
C74 C75 H75 120.4 . . ?
C77 C76 C81 119.6(8) . . ?
C77 C76 P5 118.7(6) . . ?
C81 C76 P5 121.3(6) . . ?
C78 C77 C76 121.4(9) . . ?
C78 C77 H77 119.3 . . ?
C76 C77 H77 119.3 . . ?
C77 C78 C79 120.0(9) . . ?
C77 C78 H78 120.0 . . ?
C79 C78 H78 120.0 . . ?
C80 C79 C78 121.3(9) . . ?
C80 C79 H79 119.3 . . ?
C78 C79 H79 119.3 . . ?
C79 C80 C81 120.1(10) . . ?
C79 C80 H80 119.9 . . ?
C81 C80 H80 119.9 . . ?
C76 C81 C80 117.4(9) . . ?
C76 C81 H81 121.3 . . ?
C80 C81 H81 121.3 . . ?
C83 C82 C87 115.5(7) . . ?
C83 C82 P6 119.2(6) . . ?
C87 C82 P6 125.3(6) . . ?
C84 C83 C82 123.1(8) . . ?
C84 C83 H83 118.5 . . ?
C82 C83 H83 118.5 . . ?
C85 C84 C83 120.6(8) . . ?
C85 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C84 C85 C86 118.5(8) . . ?
C84 C85 H85 120.8 . . ?
C86 C85 H85 120.8 . . ?
C85 C86 C87 121.6(8) . . ?
C85 C86 H86 119.2 . . ?
C87 C86 H86 119.2 . . ?
C82 C87 C86 120.7(7) . . ?
C82 C87 H87 119.6 . . ?
C86 C87 H87 119.6 . . ?
C93 C88 C89 117.2(7) . . ?
C93 C88 P6 124.8(6) . . ?
C89 C88 P6 118.0(6) . . ?
C90 C89 C88 122.0(8) . . ?
C90 C89 H89 119.0 . . ?
C88 C89 H89 119.0 . . ?
C89 C90 C91 118.8(8) . . ?
C89 C90 H90 120.6 . . ?
C91 C90 H90 120.6 . . ?
C92 C91 C90 120.8(8) . . ?
C92 C91 H91 119.6 . . ?
C90 C91 H91 119.6 . . ?
C91 C92 C93 121.5(8) . . ?
C91 C92 H92 119.3 . . ?
C93 C92 H92 119.3 . . ?
C92 C93 C88 119.5(8) . . ?
C92 C93 H93 120.3 . . ?
C88 C93 H93 120.3 . . ?
Cl3 C95 Cl4 104.1(7) . . ?
Cl3 C95 H95A 110.9 . . ?
Cl4 C95 H95A 110.9 . . ?
Cl3 C95 H95B 110.9 . . ?
Cl4 C95 H95B 110.9 . . ?
H95A C95 H95B 109.0 . . ?
F3 B1 F2 108.0(12) . . ?
F3 B1 F1 108.5(12) . . ?
F2 B1 F1 109.7(11) . . ?
F3 B1 F4 107.3(11) . . ?
F2 B1 F4 114.0(12) . . ?
F1 B1 F4 109.3(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P6 Ag1 Ag2 P1 178.78(10) . . . . ?
P2 Ag1 Ag2 P1 -11.23(6) . . . . ?
Cl2 Ag1 Ag2 P1 105.64(7) . . . . ?
Cl1 Ag1 Ag2 P1 -121.17(7) . . . . ?
Ag3 Ag1 Ag2 P1 173.44(5) . . . . ?
P6 Ag1 Ag2 P3 2.57(13) . . . . ?
P2 Ag1 Ag2 P3 172.55(10) . . . . ?
Cl2 Ag1 Ag2 P3 -70.57(10) . . . . ?
Cl1 Ag1 Ag2 P3 62.62(10) . . . . ?
Ag3 Ag1 Ag2 P3 -2.77(9) . . . . ?
P6 Ag1 Ag2 Cl2 73.14(10) . . . . ?
P2 Ag1 Ag2 Cl2 -116.87(7) . . . . ?
Cl1 Ag1 Ag2 Cl2 133.19(7) . . . . ?
Ag3 Ag1 Ag2 Cl2 67.80(5) . . . . ?
P6 Ag1 Ag2 Cl1 -60.05(10) . . . . ?
P2 Ag1 Ag2 Cl1 109.94(6) . . . . ?
Cl2 Ag1 Ag2 Cl1 -133.19(7) . . . . ?
Ag3 Ag1 Ag2 Cl1 -65.39(5) . . . . ?
P6 Ag1 Ag2 Ag3 5.34(9) . . . . ?
P2 Ag1 Ag2 Ag3 175.32(5) . . . . ?
Cl2 Ag1 Ag2 Ag3 -67.80(5) . . . . ?
Cl1 Ag1 Ag2 Ag3 65.39(5) . . . . ?
P6 Ag1 Ag3 P5 7.91(7) . . . . ?
P2 Ag1 Ag3 P5 176.69(9) . . . . ?
Cl2 Ag1 Ag3 P5 -109.39(7) . . . . ?
Cl1 Ag1 Ag3 P5 119.50(7) . . . . ?
Ag2 Ag1 Ag3 P5 -175.00(5) . . . . ?
P6 Ag1 Ag3 P4 176.29(11) . . . . ?
P2 Ag1 Ag3 P4 -14.92(14) . . . . ?
Cl2 Ag1 Ag3 P4 59.00(11) . . . . ?
Cl1 Ag1 Ag3 P4 -72.11(11) . . . . ?
Ag2 Ag1 Ag3 P4 -6.61(10) . . . . ?
P6 Ag1 Ag3 Cl1 -111.59(7) . . . . ?
P2 Ag1 Ag3 Cl1 57.19(10) . . . . ?
Cl2 Ag1 Ag3 Cl1 131.11(7) . . . . ?
Ag2 Ag1 Ag3 Cl1 65.50(5) . . . . ?
P6 Ag1 Ag3 Cl2 117.29(7) . . . . ?
P2 Ag1 Ag3 Cl2 -73.92(10) . . . . ?
Cl1 Ag1 Ag3 Cl2 -131.11(7) . . . . ?
Ag2 Ag1 Ag3 Cl2 -65.61(5) . . . . ?
P6 Ag1 Ag3 Ag2 -177.10(5) . . . . ?
P2 Ag1 Ag3 Ag2 -8.31(8) . . . . ?
Cl2 Ag1 Ag3 Ag2 65.61(5) . . . . ?
Cl1 Ag1 Ag3 Ag2 -65.50(5) . . . . ?
P1 Ag2 Ag3 P5 -1.64(15) . . . . ?
P3 Ag2 Ag3 P5 -171.08(11) . . . . ?
Cl2 Ag2 Ag3 P5 -54.09(11) . . . . ?
Cl1 Ag2 Ag3 P5 78.17(12) . . . . ?
Ag1 Ag2 Ag3 P5 10.44(11) . . . . ?
P1 Ag2 Ag3 P4 164.78(10) . . . . ?
P3 Ag2 Ag3 P4 -4.65(6) . . . . ?
Cl2 Ag2 Ag3 P4 112.34(6) . . . . ?
Cl1 Ag2 Ag3 P4 -115.40(7) . . . . ?
Ag1 Ag2 Ag3 P4 176.86(5) . . . . ?
P1 Ag2 Ag3 Cl1 -79.81(10) . . . . ?
P3 Ag2 Ag3 Cl1 110.75(7) . . . . ?
Cl2 Ag2 Ag3 Cl1 -132.26(7) . . . . ?
Ag1 Ag2 Ag3 Cl1 -67.73(5) . . . . ?
P1 Ag2 Ag3 Cl2 52.45(10) . . . . ?
P3 Ag2 Ag3 Cl2 -116.99(7) . . . . ?
Cl1 Ag2 Ag3 Cl2 132.26(7) . . . . ?
Ag1 Ag2 Ag3 Cl2 64.53(5) . . . . ?
P1 Ag2 Ag3 Ag1 -12.08(9) . . . . ?
P3 Ag2 Ag3 Ag1 178.48(5) . . . . ?
Cl2 Ag2 Ag3 Ag1 -64.53(5) . . . . ?
Cl1 Ag2 Ag3 Ag1 67.73(5) . . . . ?
P5 Ag3 Cl1 Ag2 -148.87(6) . . . . ?
P4 Ag3 Cl1 Ag2 74.98(6) . . . . ?
Cl2 Ag3 Cl1 Ag2 -37.84(5) . . . . ?
Ag1 Ag3 Cl1 Ag2 -76.10(4) . . . . ?
P5 Ag3 Cl1 Ag1 -72.77(6) . . . . ?
P4 Ag3 Cl1 Ag1 151.08(6) . . . . ?
Cl2 Ag3 Cl1 Ag1 38.25(5) . . . . ?
Ag2 Ag3 Cl1 Ag1 76.10(4) . . . . ?
P1 Ag2 Cl1 Ag3 143.88(6) . . . . ?
P3 Ag2 Cl1 Ag3 -75.79(6) . . . . ?
Cl2 Ag2 Cl1 Ag3 37.83(5) . . . . ?
Ag1 Ag2 Cl1 Ag3 73.93(4) . . . . ?
P1 Ag2 Cl1 Ag1 69.94(6) . . . . ?
P3 Ag2 Cl1 Ag1 -149.72(5) . . . . ?
Cl2 Ag2 Cl1 Ag1 -36.10(5) . . . . ?
Ag3 Ag2 Cl1 Ag1 -73.93(4) . . . . ?
P6 Ag1 Cl1 Ag3 75.13(6) . . . . ?
P2 Ag1 Cl1 Ag3 -150.81(5) . . . . ?
Cl2 Ag1 Cl1 Ag3 -38.85(5) . . . . ?
Ag2 Ag1 Cl1 Ag3 -75.51(4) . . . . ?
P6 Ag1 Cl1 Ag2 150.64(5) . . . . ?
P2 Ag1 Cl1 Ag2 -75.30(6) . . . . ?
Cl2 Ag1 Cl1 Ag2 36.66(5) . . . . ?
Ag3 Ag1 Cl1 Ag2 75.51(4) . . . . ?
P6 Ag1 Cl2 Ag2 -146.09(5) . . . . ?
P2 Ag1 Cl2 Ag2 70.92(6) . . . . ?
Cl1 Ag1 Cl2 Ag2 -36.33(5) . . . . ?
Ag3 Ag1 Cl2 Ag2 -74.03(4) . . . . ?
P6 Ag1 Cl2 Ag3 -72.06(6) . . . . ?
P2 Ag1 Cl2 Ag3 144.96(5) . . . . ?
Cl1 Ag1 Cl2 Ag3 37.71(5) . . . . ?
Ag2 Ag1 Cl2 Ag3 74.03(4) . . . . ?
P1 Ag2 Cl2 Ag1 -79.42(6) . . . . ?
P3 Ag2 Cl2 Ag1 146.52(6) . . . . ?
Cl1 Ag2 Cl2 Ag1 37.25(5) . . . . ?
Ag3 Ag2 Cl2 Ag1 74.38(4) . . . . ?
P1 Ag2 Cl2 Ag3 -153.80(5) . . . . ?
P3 Ag2 Cl2 Ag3 72.14(6) . . . . ?
Cl1 Ag2 Cl2 Ag3 -37.13(5) . . . . ?
Ag1 Ag2 Cl2 Ag3 -74.38(4) . . . . ?
P5 Ag3 Cl2 Ag1 78.28(6) . . . . ?
P4 Ag3 Cl2 Ag1 -154.61(5) . . . . ?
Cl1 Ag3 Cl2 Ag1 -39.73(6) . . . . ?
Ag2 Ag3 Cl2 Ag1 -77.85(4) . . . . ?
P5 Ag3 Cl2 Ag2 156.13(5) . . . . ?
P4 Ag3 Cl2 Ag2 -76.76(6) . . . . ?
Cl1 Ag3 Cl2 Ag2 38.13(5) . . . . ?
Ag1 Ag3 Cl2 Ag2 77.85(4) . . . . ?
P3 Ag2 P1 N1 -170.0(2) . . . . ?
Cl2 Ag2 P1 N1 64.7(2) . . . . ?
Cl1 Ag2 P1 N1 -38.2(2) . . . . ?
Ag3 Ag2 P1 N1 22.9(3) . . . . ?
Ag1 Ag2 P1 N1 12.6(2) . . . . ?
P3 Ag2 P1 C8 68.9(3) . . . . ?
Cl2 Ag2 P1 C8 -56.4(3) . . . . ?
Cl1 Ag2 P1 C8 -159.3(3) . . . . ?
Ag3 Ag2 P1 C8 -98.2(3) . . . . ?
Ag1 Ag2 P1 C8 -108.5(3) . . . . ?
P3 Ag2 P1 C14 -47.3(3) . . . . ?
Cl2 Ag2 P1 C14 -172.6(3) . . . . ?
Cl1 Ag2 P1 C14 84.5(3) . . . . ?
Ag3 Ag2 P1 C14 145.6(3) . . . . ?
Ag1 Ag2 P1 C14 135.2(3) . . . . ?
P6 Ag1 P2 N1 -174.5(2) . . . . ?
Cl2 Ag1 P2 N1 -38.2(2) . . . . ?
Cl1 Ag1 P2 N1 63.7(2) . . . . ?
Ag3 Ag1 P2 N1 19.4(3) . . . . ?
Ag2 Ag1 P2 N1 12.2(2) . . . . ?
P6 Ag1 P2 C26 67.7(3) . . . . ?
Cl2 Ag1 P2 C26 -156.1(2) . . . . ?
Cl1 Ag1 P2 C26 -54.2(2) . . . . ?
Ag3 Ag1 P2 C26 -98.5(3) . . . . ?
Ag2 Ag1 P2 C26 -105.7(2) . . . . ?
P6 Ag1 P2 C20 -50.0(3) . . . . ?
Cl2 Ag1 P2 C20 86.3(3) . . . . ?
Cl1 Ag1 P2 C20 -171.8(3) . . . . ?
Ag3 Ag1 P2 C20 143.8(2) . . . . ?
Ag2 Ag1 P2 C20 136.7(3) . . . . ?
P1 Ag2 P3 N2 -169.6(2) . . . . ?
Cl2 Ag2 P3 N2 -48.2(2) . . . . ?
Cl1 Ag2 P3 N2 55.2(2) . . . . ?
Ag3 Ag2 P3 N2 3.4(2) . . . . ?
Ag1 Ag2 P3 N2 5.8(3) . . . . ?
P1 Ag2 P3 C45 -46.0(3) . . . . ?
Cl2 Ag2 P3 C45 75.4(3) . . . . ?
Cl1 Ag2 P3 C45 178.8(3) . . . . ?
Ag3 Ag2 P3 C45 127.0(3) . . . . ?
Ag1 Ag2 P3 C45 129.4(3) . . . . ?
P1 Ag2 P3 C39 71.9(3) . . . . ?
Cl2 Ag2 P3 C39 -166.7(3) . . . . ?
Cl1 Ag2 P3 C39 -63.3(3) . . . . ?
Ag3 Ag2 P3 C39 -115.1(3) . . . . ?
Ag1 Ag2 P3 C39 -112.7(3) . . . . ?
P5 Ag3 P4 N2 179.5(2) . . . . ?
Cl1 Ag3 P4 N2 -46.1(2) . . . . ?
Cl2 Ag3 P4 N2 59.9(2) . . . . ?
Ag1 Ag3 P4 N2 12.7(3) . . . . ?
Ag2 Ag3 P4 N2 6.9(2) . . . . ?
P5 Ag3 P4 C51 -57.9(3) . . . . ?
Cl1 Ag3 P4 C51 76.5(3) . . . . ?
Cl2 Ag3 P4 C51 -177.5(3) . . . . ?
Ag1 Ag3 P4 C51 135.3(3) . . . . ?
Ag2 Ag3 P4 C51 129.4(3) . . . . ?
P5 Ag3 P4 C57 58.8(3) . . . . ?
Cl1 Ag3 P4 C57 -166.9(3) . . . . ?
Cl2 Ag3 P4 C57 -60.8(3) . . . . ?
Ag1 Ag3 P4 C57 -108.1(3) . . . . ?
Ag2 Ag3 P4 C57 -113.9(3) . . . . ?
P4 Ag3 P5 N3 175.7(2) . . . . ?
Cl1 Ag3 P5 N3 42.9(2) . . . . ?
Cl2 Ag3 P5 N3 -63.4(2) . . . . ?
Ag1 Ag3 P5 N3 -10.5(2) . . . . ?
Ag2 Ag3 P5 N3 -19.7(3) . . . . ?
P4 Ag3 P5 C70 57.0(3) . . . . ?
Cl1 Ag3 P5 C70 -75.8(3) . . . . ?
Cl2 Ag3 P5 C70 177.9(3) . . . . ?
Ag1 Ag3 P5 C70 -129.2(3) . . . . ?
Ag2 Ag3 P5 C70 -138.4(3) . . . . ?
P4 Ag3 P5 C76 -57.7(3) . . . . ?
Cl1 Ag3 P5 C76 169.5(3) . . . . ?
Cl2 Ag3 P5 C76 63.2(3) . . . . ?
Ag1 Ag3 P5 C76 116.1(3) . . . . ?
Ag2 Ag3 P5 C76 106.9(3) . . . . ?
P2 Ag1 P6 N3 -179.2(2) . . . . ?
Cl2 Ag1 P6 N3 45.1(2) . . . . ?
Cl1 Ag1 P6 N3 -58.2(2) . . . . ?
Ag3 Ag1 P6 N3 -6.9(2) . . . . ?
Ag2 Ag1 P6 N3 -11.5(3) . . . . ?
P2 Ag1 P6 C88 -53.2(3) . . . . ?
Cl2 Ag1 P6 C88 171.1(3) . . . . ?
Cl1 Ag1 P6 C88 67.7(3) . . . . ?
Ag3 Ag1 P6 C88 119.1(3) . . . . ?
Ag2 Ag1 P6 C88 114.5(3) . . . . ?
P2 Ag1 P6 C82 61.3(3) . . . . ?
Cl2 Ag1 P6 C82 -74.4(2) . . . . ?
Cl1 Ag1 P6 C82 -177.8(2) . . . . ?
Ag3 Ag1 P6 C82 -126.4(2) . . . . ?
Ag2 Ag1 P6 C82 -131.0(2) . . . . ?
C8 P1 N1 C1 -67.4(6) . . . . ?
C14 P1 N1 C1 43.0(6) . . . . ?
Ag2 P1 N1 C1 169.4(4) . . . . ?
C8 P1 N1 P2 116.1(4) . . . . ?
C14 P1 N1 P2 -133.6(4) . . . . ?
Ag2 P1 N1 P2 -7.1(5) . . . . ?
C26 P2 N1 C1 -63.8(5) . . . . ?
C20 P2 N1 C1 49.0(6) . . . . ?
Ag1 P2 N1 C1 177.0(4) . . . . ?
C26 P2 N1 P1 112.7(4) . . . . ?
C20 P2 N1 P1 -134.5(4) . . . . ?
Ag1 P2 N1 P1 -6.5(5) . . . . ?
C51 P4 N2 C32 46.7(5) . . . . ?
C57 P4 N2 C32 -65.2(5) . . . . ?
Ag3 P4 N2 C32 174.5(4) . . . . ?
C51 P4 N2 P3 -134.1(4) . . . . ?
C57 P4 N2 P3 114.0(4) . . . . ?
Ag3 P4 N2 P3 -6.3(4) . . . . ?
C45 P3 N2 C32 53.3(6) . . . . ?
C39 P3 N2 C32 -59.8(6) . . . . ?
Ag2 P3 N2 C32 180.0(4) . . . . ?
C45 P3 N2 P4 -125.9(4) . . . . ?
C39 P3 N2 P4 121.0(4) . . . . ?
Ag2 P3 N2 P4 0.8(5) . . . . ?
C88 P6 N3 C63 56.8(6) . . . . ?
C82 P6 N3 C63 -53.5(6) . . . . ?
Ag1 P6 N3 C63 -173.9(5) . . . . ?
C88 P6 N3 P5 -128.2(4) . . . . ?
C82 P6 N3 P5 121.4(4) . . . . ?
Ag1 P6 N3 P5 1.1(5) . . . . ?
C70 P5 N3 C63 -58.7(6) . . . . ?
C76 P5 N3 C63 52.4(6) . . . . ?
Ag3 P5 N3 C63 -176.7(5) . . . . ?
C70 P5 N3 P6 126.3(4) . . . . ?
C76 P5 N3 P6 -122.6(4) . . . . ?
Ag3 P5 N3 P6 8.2(5) . . . . ?
P1 N1 C1 C2 -99.8(7) . . . . ?
P2 N1 C1 C2 76.9(8) . . . . ?
P1 N1 C1 C6 80.3(8) . . . . ?
P2 N1 C1 C6 -103.0(7) . . . . ?
C6 C1 C2 C3 -1.1(11) . . . . ?
N1 C1 C2 C3 178.9(7) . . . . ?
C1 C2 C3 C4 -0.9(12) . . . . ?
C7 O1 C4 C5 -17.3(12) . . . . ?
C7 O1 C4 C3 163.5(8) . . . . ?
C2 C3 C4 O1 180.0(7) . . . . ?
C2 C3 C4 C5 0.7(12) . . . . ?
O1 C4 C5 C6 -177.7(7) . . . . ?
C3 C4 C5 C6 1.5(12) . . . . ?
C2 C1 C6 C5 3.4(11) . . . . ?
N1 C1 C6 C5 -176.6(7) . . . . ?
C4 C5 C6 C1 -3.6(12) . . . . ?
N1 P1 C8 C13 132.5(8) . . . . ?
C14 P1 C8 C13 22.3(9) . . . . ?
Ag2 P1 C8 C13 -98.6(8) . . . . ?
N1 P1 C8 C9 -58.8(7) . . . . ?
C14 P1 C8 C9 -169.0(6) . . . . ?
Ag2 P1 C8 C9 70.1(6) . . . . ?
C13 C8 C9 C10 -3.8(12) . . . . ?
P1 C8 C9 C10 -173.6(6) . . . . ?
C8 C9 C10 C11 2.0(13) . . . . ?
C9 C10 C11 C12 -1.6(14) . . . . ?
C10 C11 C12 C13 3.2(17) . . . . ?
C11 C12 C13 C8 -5.3(18) . . . . ?
C9 C8 C13 C12 5.4(15) . . . . ?
P1 C8 C13 C12 174.3(9) . . . . ?
N1 P1 C14 C15 -66.9(8) . . . . ?
C8 P1 C14 C15 43.8(8) . . . . ?
Ag2 P1 C14 C15 162.7(6) . . . . ?
N1 P1 C14 C19 115.2(6) . . . . ?
C8 P1 C14 C19 -134.0(6) . . . . ?
Ag2 P1 C14 C19 -15.1(7) . . . . ?
C19 C14 C15 C16 -0.8(13) . . . . ?
P1 C14 C15 C16 -178.6(7) . . . . ?
C14 C15 C16 C17 1.7(14) . . . . ?
C15 C16 C17 C18 -0.8(15) . . . . ?
C16 C17 C18 C19 -1.0(17) . . . . ?
C17 C18 C19 C14 2.0(16) . . . . ?
C15 C14 C19 C18 -1.1(13) . . . . ?
P1 C14 C19 C18 176.9(8) . . . . ?
N1 P2 C20 C25 113.7(6) . . . . ?
C26 P2 C20 C25 -135.8(6) . . . . ?
Ag1 P2 C20 C25 -18.7(7) . . . . ?
N1 P2 C20 C21 -67.3(7) . . . . ?
C26 P2 C20 C21 43.1(7) . . . . ?
Ag1 P2 C20 C21 160.2(6) . . . . ?
C25 C20 C21 C22 0.5(11) . . . . ?
P2 C20 C21 C22 -178.4(6) . . . . ?
C20 C21 C22 C23 0.4(12) . . . . ?
C21 C22 C23 C24 0.5(14) . . . . ?
C22 C23 C24 C25 -2.3(15) . . . . ?
C21 C20 C25 C24 -2.3(12) . . . . ?
P2 C20 C25 C24 176.7(7) . . . . ?
C23 C24 C25 C20 3.3(15) . . . . ?
N1 P2 C26 C31 -61.8(6) . . . . ?
C20 P2 C26 C31 -172.9(6) . . . . ?
Ag1 P2 C26 C31 66.2(6) . . . . ?
N1 P2 C26 C27 127.9(6) . . . . ?
C20 P2 C26 C27 16.8(7) . . . . ?
Ag1 P2 C26 C27 -104.1(6) . . . . ?
C31 C26 C27 C28 4.2(11) . . . . ?
P2 C26 C27 C28 174.3(6) . . . . ?
C26 C27 C28 C29 -3.4(12) . . . . ?
C27 C28 C29 C30 1.0(13) . . . . ?
C28 C29 C30 C31 0.6(13) . . . . ?
C27 C26 C31 C30 -2.7(11) . . . . ?
P2 C26 C31 C30 -173.4(6) . . . . ?
C29 C30 C31 C26 0.3(12) . . . . ?
P4 N2 C32 C37 83.6(8) . . . . ?
P3 N2 C32 C37 -95.6(7) . . . . ?
P4 N2 C32 C33 -96.0(7) . . . . ?
P3 N2 C32 C33 84.7(7) . . . . ?
C37 C32 C33 C34 -1.2(11) . . . . ?
N2 C32 C33 C34 178.5(6) . . . . ?
C32 C33 C34 C35 -0.7(11) . . . . ?
C33 C34 C35 O2 -179.0(7) . . . . ?
C33 C34 C35 C36 0.9(12) . . . . ?
C38 O2 C35 C34 176.5(8) . . . . ?
C38 O2 C35 C36 -3.4(12) . . . . ?
C34 C35 C36 C37 0.7(11) . . . . ?
O2 C35 C36 C37 -179.4(7) . . . . ?
C33 C32 C37 C36 2.9(11) . . . . ?
N2 C32 C37 C36 -176.7(7) . . . . ?
C35 C36 C37 C32 -2.7(11) . . . . ?
N2 P3 C39 C40 -65.5(6) . . . . ?
C45 P3 C39 C40 -176.5(6) . . . . ?
Ag2 P3 C39 C40 63.2(6) . . . . ?
N2 P3 C39 C44 122.0(7) . . . . ?
C45 P3 C39 C44 11.0(8) . . . . ?
Ag2 P3 C39 C44 -109.3(7) . . . . ?
C44 C39 C40 C41 -2.6(12) . . . . ?
P3 C39 C40 C41 -175.3(6) . . . . ?
C39 C40 C41 C42 1.3(13) . . . . ?
C40 C41 C42 C43 4.8(16) . . . . ?
C41 C42 C43 C44 -9.6(17) . . . . ?
C42 C43 C44 C39 8.3(16) . . . . ?
C40 C39 C44 C43 -2.5(14) . . . . ?
P3 C39 C44 C43 169.6(8) . . . . ?
N2 P3 C45 C46 111.3(7) . . . . ?
C39 P3 C45 C46 -138.4(6) . . . . ?
Ag2 P3 C45 C46 -20.7(7) . . . . ?
N2 P3 C45 C50 -63.9(7) . . . . ?
C39 P3 C45 C50 46.4(8) . . . . ?
Ag2 P3 C45 C50 164.1(6) . . . . ?
C50 C45 C46 C47 -0.4(13) . . . . ?
P3 C45 C46 C47 -175.9(8) . . . . ?
C45 C46 C47 C48 -0.5(16) . . . . ?
C46 C47 C48 C49 1.6(17) . . . . ?
C47 C48 C49 C50 -1.8(16) . . . . ?
C48 C49 C50 C45 1.0(14) . . . . ?
C46 C45 C50 C49 0.1(12) . . . . ?
P3 C45 C50 C49 175.3(6) . . . . ?
N2 P4 C51 C52 98.7(6) . . . . ?
C57 P4 C51 C52 -149.0(6) . . . . ?
Ag3 P4 C51 C52 -32.5(6) . . . . ?
N2 P4 C51 C56 -75.3(7) . . . . ?
C57 P4 C51 C56 37.0(7) . . . . ?
Ag3 P4 C51 C56 153.5(6) . . . . ?
C56 C51 C52 C53 -1.4(11) . . . . ?
P4 C51 C52 C53 -176.0(7) . . . . ?
C51 C52 C53 C54 0.7(13) . . . . ?
C52 C53 C54 C55 0.8(13) . . . . ?
C53 C54 C55 C56 -1.4(13) . . . . ?
C54 C55 C56 C51 0.6(13) . . . . ?
C52 C51 C56 C55 0.7(11) . . . . ?
P4 C51 C56 C55 174.7(6) . . . . ?
N2 P4 C57 C62 137.6(7) . . . . ?
C51 P4 C57 C62 28.0(8) . . . . ?
Ag3 P4 C57 C62 -93.8(7) . . . . ?
N2 P4 C57 C58 -50.9(6) . . . . ?
C51 P4 C57 C58 -160.5(6) . . . . ?
Ag3 P4 C57 C58 77.8(6) . . . . ?
C62 C57 C58 C59 2.6(11) . . . . ?
P4 C57 C58 C59 -169.5(6) . . . . ?
C57 C58 C59 C60 -2.3(12) . . . . ?
C58 C59 C60 C61 -0.5(13) . . . . ?
C59 C60 C61 C62 3.0(13) . . . . ?
C58 C57 C62 C61 -0.2(11) . . . . ?
P4 C57 C62 C61 171.2(6) . . . . ?
C60 C61 C62 C57 -2.6(13) . . . . ?
P6 N3 C63 C64 80.3(8) . . . . ?
P5 N3 C63 C64 -94.8(7) . . . . ?
P6 N3 C63 C68 -104.6(7) . . . . ?
P5 N3 C63 C68 80.3(8) . . . . ?
C68 C63 C64 C65 3.6(12) . . . . ?
N3 C63 C64 C65 179.0(7) . . . . ?
C63 C64 C65 C66 -1.9(13) . . . . ?
C64 C65 C66 C67 -1.6(15) . . . . ?
C64 C65 C66 O3 -175.4(9) . . . . ?
C69 O3 C66 C67 -179.2(10) . . . . ?
C69 O3 C66 C65 -5.3(15) . . . . ?
C65 C66 C67 C68 3.4(16) . . . . ?
O3 C66 C67 C68 177.3(9) . . . . ?
C66 C67 C68 C63 -1.6(15) . . . . ?
C64 C63 C68 C67 -2.0(12) . . . . ?
N3 C63 C68 C67 -177.2(7) . . . . ?
N3 P5 C70 C75 135.9(7) . . . . ?
C76 P5 C70 C75 24.6(8) . . . . ?
Ag3 P5 C70 C75 -96.7(7) . . . . ?
N3 P5 C70 C71 -53.6(7) . . . . ?
C76 P5 C70 C71 -164.9(6) . . . . ?
Ag3 P5 C70 C71 73.7(6) . . . . ?
C75 C70 C71 C72 0.5(12) . . . . ?
P5 C70 C71 C72 -170.2(6) . . . . ?
C70 C71 C72 C73 -2.7(13) . . . . ?
C71 C72 C73 C74 2.3(15) . . . . ?
C72 C73 C74 C75 0.1(17) . . . . ?
C71 C70 C75 C74 1.8(13) . . . . ?
P5 C70 C75 C74 172.0(7) . . . . ?
C73 C74 C75 C70 -2.2(16) . . . . ?
N3 P5 C76 C77 108.8(6) . . . . ?
C70 P5 C76 C77 -139.3(6) . . . . ?
Ag3 P5 C76 C77 -24.7(7) . . . . ?
N3 P5 C76 C81 -63.8(7) . . . . ?
C70 P5 C76 C81 48.1(7) . . . . ?
Ag3 P5 C76 C81 162.7(6) . . . . ?
C81 C76 C77 C78 -4.0(12) . . . . ?
P5 C76 C77 C78 -176.7(7) . . . . ?
C76 C77 C78 C79 3.7(13) . . . . ?
C77 C78 C79 C80 -2.5(14) . . . . ?
C78 C79 C80 C81 1.5(14) . . . . ?
C77 C76 C81 C80 2.9(12) . . . . ?
P5 C76 C81 C80 175.5(6) . . . . ?
C79 C80 C81 C76 -1.8(13) . . . . ?
N3 P6 C82 C83 -68.6(7) . . . . ?
C88 P6 C82 C83 -179.7(6) . . . . ?
Ag1 P6 C82 C83 60.4(6) . . . . ?
N3 P6 C82 C87 114.1(7) . . . . ?
C88 P6 C82 C87 3.1(8) . . . . ?
Ag1 P6 C82 C87 -116.9(7) . . . . ?
C87 C82 C83 C84 -1.9(12) . . . . ?
P6 C82 C83 C84 -179.4(6) . . . . ?
C82 C83 C84 C85 3.6(13) . . . . ?
C83 C84 C85 C86 -1.5(13) . . . . ?
C84 C85 C86 C87 -2.0(14) . . . . ?
C83 C82 C87 C86 -1.6(12) . . . . ?
P6 C82 C87 C86 175.8(7) . . . . ?
C85 C86 C87 C82 3.6(14) . . . . ?
N3 P6 C88 C93 -54.5(7) . . . . ?
C82 P6 C88 C93 56.2(7) . . . . ?
Ag1 P6 C88 C93 171.9(5) . . . . ?
N3 P6 C88 C89 124.3(6) . . . . ?
C82 P6 C88 C89 -125.0(6) . . . . ?
Ag1 P6 C88 C89 -9.3(7) . . . . ?
C93 C88 C89 C90 3.6(11) . . . . ?
P6 C88 C89 C90 -175.3(7) . . . . ?
C88 C89 C90 C91 -6.6(13) . . . . ?
C89 C90 C91 C92 6.6(13) . . . . ?
C90 C91 C92 C93 -3.7(13) . . . . ?
C91 C92 C93 C88 0.6(12) . . . . ?
C89 C88 C93 C92 -0.5(11) . . . . ?
P6 C88 C93 C92 178.3(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.445
_refine_diff_density_min         -1.331
_refine_diff_density_rms         0.189

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_3c-THF
_database_code_depnum_ccdc_archive 'CCDC 1497154'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            AG125
_chemical_formula_moiety         'C66 H62 Ag2 N2 O3 P4, 2(B F4), 2(C4 H8 O)'
_chemical_formula_sum            'C74 H78 Ag2 B2 F8 N2 O5 P4'
_exptl_crystal_recrystallization_method 'THF - Pentane'
_chemical_melting_point          ?

_exptl_crystal_description       Plates
_exptl_crystal_colour            Colorless

_diffrn_ambient_temperature      173(2)
_chemical_formula_weight         1588.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_int_tables_number      14
_chemical_absolute_configuration ?

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                   11.2883(2)
_cell_length_b                   23.0676(4)
_cell_length_c                   27.7279(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.8914(10)
_cell_angle_gamma                90.00
_cell_volume                     7065.20(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    15763
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3248
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_correction_T_min  0.8444
_exptl_absorpt_correction_T_max  0.8451
_exptl_absorpt_process_details   
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;

_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25030
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.92
_diffrn_reflns_theta_max         26.00
_reflns_number_total             13754
_reflns_number_gt                9617
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'Sir 97'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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. There are two co-crystallized
 molecules of THF strongly disordered in the asymetric unit. Attempts on finding
 different conformation were unsucessful. Attempts on localizing a second set of
 atomic coordinates to have a better view of the disorder were unsuccesful. The 
 occupancies set to 1 were giving the best results. The different C-C distances
 are shorter than expected and rise some alerts C in the check cif, they were 
 restrained to average via SADI commands. The different ADPs were also averaged.
 Finally, we thought that disordered THF molecules with slightly a deficient     geometry would be better than a squeeze procedure. 
;

_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)+(0.0430P)²+22.1714P] 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         13754
_refine_ls_number_parameters     858
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.1013
_refine_ls_R_factor_gt           0.0621
_refine_ls_wR_factor_ref         0.1352
_refine_ls_wR_factor_gt          0.1233
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.011
_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 0.52240(3) -0.014048(16) 0.785698(13) 0.02617(11) Uani 1 1 d . . .
Ag2 Ag 0.76458(4) 0.016854(17) 0.774469(13) 0.02725(11) Uani 1 1 d . . .
P1 P 0.51112(11) -0.05136(5) 0.70349(4) 0.0209(3) Uani 1 1 d . . .
P2 P 0.77842(11) -0.05939(5) 0.71641(4) 0.0209(3) Uani 1 1 d . . .
P3 P 0.80619(11) 0.06333(5) 0.85381(4) 0.0197(3) Uani 1 1 d . . .
P4 P 0.53750(11) 0.06931(5) 0.83928(4) 0.0186(3) Uani 1 1 d . . .
C1 C 0.4610(4) 0.0101(2) 0.66344(16) 0.0237(10) Uani 1 1 d . . .
C2 C 0.3443(5) 0.0313(2) 0.6608(2) 0.0397(14) Uani 1 1 d . . .
H2 H 0.2887 0.0097 0.6737 0.048 Uiso 1 1 calc R . .
C3 C 0.3108(6) 0.0844(3) 0.6388(2) 0.0509(17) Uani 1 1 d . . .
H3 H 0.2322 0.0979 0.6365 0.061 Uiso 1 1 calc R . .
C4 C 0.3931(6) 0.1171(3) 0.6205(2) 0.0491(16) Uani 1 1 d . . .
H4 H 0.3703 0.1529 0.6062 0.059 Uiso 1 1 calc R . .
C5 C 0.5087(6) 0.0972(3) 0.6232(2) 0.0442(15) Uani 1 1 d . . .
H5 H 0.5643 0.1196 0.6108 0.053 Uiso 1 1 calc R . .
C6 C 0.5426(5) 0.0435(2) 0.64442(18) 0.0312(12) Uani 1 1 d . . .
H6 H 0.6208 0.0299 0.6459 0.037 Uiso 1 1 calc R . .
C7 C 0.3962(4) -0.1067(2) 0.68821(17) 0.0233(11) Uani 1 1 d . . .
C8 C 0.3198(5) -0.1106(2) 0.64167(19) 0.0344(13) Uani 1 1 d . . .
H8 H 0.3271 -0.0843 0.6170 0.041 Uiso 1 1 calc R . .
C9 C 0.2338(5) -0.1536(3) 0.6328(2) 0.0459(16) Uani 1 1 d . . .
H9 H 0.1825 -0.1559 0.6020 0.055 Uiso 1 1 calc R . .
C10 C 0.2219(5) -0.1931(3) 0.6686(3) 0.0478(17) Uani 1 1 d . . .
H10 H 0.1628 -0.2218 0.6621 0.057 Uiso 1 1 calc R . .
C11 C 0.2992(6) -0.1899(3) 0.7147(2) 0.0459(16) Uani 1 1 d . . .
H11 H 0.2924 -0.2168 0.7390 0.055 Uiso 1 1 calc R . .
C12 C 0.3861(5) -0.1468(2) 0.7243(2) 0.0318(12) Uani 1 1 d . . .
H12 H 0.4379 -0.1448 0.7550 0.038 Uiso 1 1 calc R . .
C13 C 0.6233(4) -0.1235(2) 0.64813(17) 0.0232(11) Uani 1 1 d . . .
C14 C 0.6027(5) -0.1072(2) 0.59942(18) 0.0310(12) Uani 1 1 d . . .
H14 H 0.5937 -0.0681 0.5911 0.037 Uiso 1 1 calc R . .
C15 C 0.5953(5) -0.1490(3) 0.56234(19) 0.0375(14) Uani 1 1 d . . .
H15 H 0.5826 -0.1379 0.5294 0.045 Uiso 1 1 calc R . .
C16 C 0.6070(5) -0.2061(2) 0.5751(2) 0.0385(14) Uani 1 1 d . . .
C17 C 0.6228(5) -0.2226(2) 0.6238(2) 0.0393(14) Uani 1 1 d . . .
H17 H 0.6280 -0.2617 0.6320 0.047 Uiso 1 1 calc R . .
C18 C 0.6309(4) -0.1814(2) 0.66059(19) 0.0298(12) Uani 1 1 d . . .
H18 H 0.6414 -0.1926 0.6934 0.036 Uiso 1 1 calc R . .
C19 C 0.5864(8) -0.2375(4) 0.4913(2) 0.078(3) Uani 1 1 d . . .
H19A H 0.5115 -0.2168 0.4818 0.116 Uiso 1 1 calc R . .
H19B H 0.5830 -0.2725 0.4724 0.116 Uiso 1 1 calc R . .
H19C H 0.6518 -0.2137 0.4855 0.116 Uiso 1 1 calc R . .
C20 C 0.8643(4) -0.0430(2) 0.66975(17) 0.0260(11) Uani 1 1 d . . .
C21 C 0.9107(5) 0.0127(3) 0.6705(2) 0.0369(13) Uani 1 1 d . . .
H21 H 0.8950 0.0393 0.6936 0.044 Uiso 1 1 calc R . .
C22 C 0.9805(6) 0.0294(3) 0.6370(2) 0.0555(18) Uani 1 1 d . . .
H22 H 1.0098 0.0671 0.6373 0.067 Uiso 1 1 calc R . .
C23 C 1.0059(6) -0.0101(4) 0.6035(2) 0.064(2) Uani 1 1 d . . .
H23 H 1.0552 0.0006 0.5819 0.077 Uiso 1 1 calc R . .
C24 C 0.9594(6) -0.0653(3) 0.6015(2) 0.0502(17) Uani 1 1 d . . .
H24 H 0.9750 -0.0912 0.5779 0.060 Uiso 1 1 calc R . .
C25 C 0.8884(5) -0.0826(3) 0.63484(19) 0.0373(13) Uani 1 1 d . . .
H25 H 0.8575 -0.1200 0.6338 0.045 Uiso 1 1 calc R . .
C26 C 0.8515(4) -0.1223(2) 0.74905(17) 0.0245(11) Uani 1 1 d . . .
C27 C 0.8051(5) -0.1410(2) 0.78966(19) 0.0341(13) Uani 1 1 d . . .
H27 H 0.7361 -0.1234 0.7964 0.041 Uiso 1 1 calc R . .
C28 C 0.8608(5) -0.1851(2) 0.8197(2) 0.0388(14) Uani 1 1 d . . .
H28 H 0.8302 -0.1969 0.8468 0.047 Uiso 1 1 calc R . .
C29 C 0.9623(5) -0.2116(2) 0.8092(2) 0.0387(14) Uani 1 1 d . . .
H29 H 0.9988 -0.2420 0.8288 0.046 Uiso 1 1 calc R . .
C30 C 1.0098(5) -0.1932(2) 0.7697(2) 0.0396(14) Uani 1 1 d . . .
H30 H 1.0788 -0.2109 0.7632 0.048 Uiso 1 1 calc R . .
C31 C 0.9552(5) -0.1483(2) 0.73976(19) 0.0318(12) Uani 1 1 d . . .
H31 H 0.9882 -0.1358 0.7135 0.038 Uiso 1 1 calc R . .
C32 C 0.8701(4) 0.0096(2) 0.89985(16) 0.0244(11) Uani 1 1 d . . .
C33 C 0.9938(5) 0.0070(3) 0.92041(19) 0.0383(14) Uani 1 1 d . . .
H33 H 1.0453 0.0367 0.9149 0.046 Uiso 1 1 calc R . .
C34 C 1.0388(6) -0.0405(3) 0.9491(2) 0.0497(17) Uani 1 1 d . . .
H34 H 1.1210 -0.0424 0.9630 0.060 Uiso 1 1 calc R . .
C35 C 0.9647(6) -0.0848(3) 0.95746(19) 0.0419(15) Uani 1 1 d . . .
H35 H 0.9968 -0.1164 0.9766 0.050 Uiso 1 1 calc R . .
C36 C 0.8430(6) -0.0825(2) 0.93760(19) 0.0409(15) Uani 1 1 d . . .
H36 H 0.7922 -0.1124 0.9432 0.049 Uiso 1 1 calc R . .
C37 C 0.7963(5) -0.0352(2) 0.90905(19) 0.0346(13) Uani 1 1 d . . .
H37 H 0.7137 -0.0335 0.8958 0.041 Uiso 1 1 calc R . .
C38 C 0.9139(4) 0.1222(2) 0.86122(18) 0.0276(11) Uani 1 1 d . . .
C39 C 0.9448(5) 0.1445(2) 0.8191(2) 0.0355(13) Uani 1 1 d . . .
H39 H 0.9099 0.1291 0.7884 0.043 Uiso 1 1 calc R . .
C40 C 1.0275(6) 0.1895(3) 0.8223(3) 0.0543(18) Uani 1 1 d . . .
H40 H 1.0467 0.2045 0.7937 0.065 Uiso 1 1 calc R . .
C41 C 1.0811(6) 0.2120(3) 0.8671(3) 0.066(2) Uani 1 1 d . . .
H41 H 1.1372 0.2419 0.8691 0.079 Uiso 1 1 calc R . .
C42 C 1.0513(6) 0.1901(3) 0.9094(3) 0.064(2) Uani 1 1 d . . .
H42 H 1.0879 0.2051 0.9399 0.077 Uiso 1 1 calc R . .
C43 C 0.9674(5) 0.1458(3) 0.9066(2) 0.0470(16) Uani 1 1 d . . .
H43 H 0.9468 0.1318 0.9353 0.056 Uiso 1 1 calc R . .
C44 C 0.6894(4) 0.1299(2) 0.91093(16) 0.0200(10) Uani 1 1 d . . .
C45 C 0.6796(4) 0.1892(2) 0.90290(17) 0.0247(11) Uani 1 1 d . . .
H45 H 0.6667 0.2037 0.8710 0.030 Uiso 1 1 calc R . .
C46 C 0.6891(5) 0.2265(2) 0.94229(19) 0.0347(13) Uani 1 1 d . . .
H46 H 0.6822 0.2663 0.9367 0.042 Uiso 1 1 calc R . .
C47 C 0.7088(5) 0.2056(2) 0.99040(18) 0.0317(12) Uani 1 1 d . . .
C48 C 0.7170(5) 0.1463(2) 0.99838(17) 0.0287(12) Uani 1 1 d . . .
H48 H 0.7300 0.1317 1.0303 0.034 Uiso 1 1 calc R . .
C49 C 0.7058(4) 0.1087(2) 0.95860(16) 0.0249(11) Uani 1 1 d . . .
H49 H 0.7093 0.0689 0.9640 0.030 Uiso 1 1 calc R . .
C50 C 0.7333(7) 0.2249(3) 1.0764(2) 0.068(2) Uani 1 1 d . . .
H50A H 0.6655 0.2010 1.0793 0.102 Uiso 1 1 calc R . .
H50B H 0.7384 0.2570 1.0987 0.102 Uiso 1 1 calc R . .
H50C H 0.8064 0.2024 1.0844 0.102 Uiso 1 1 calc R . .
C51 C 0.4543(4) 0.0615(2) 0.88807(16) 0.0202(10) Uani 1 1 d . . .
C52 C 0.4438(5) 0.0059(2) 0.90553(18) 0.0299(12) Uani 1 1 d . . .
H52 H 0.4730 -0.0255 0.8904 0.036 Uiso 1 1 calc R . .
C53 C 0.3896(6) -0.0033(2) 0.9457(2) 0.0427(15) Uani 1 1 d . . .
H53 H 0.3839 -0.0405 0.9579 0.051 Uiso 1 1 calc R . .
C54 C 0.3445(5) 0.0432(3) 0.9673(2) 0.0412(14) Uani 1 1 d . . .
H54 H 0.3075 0.0370 0.9939 0.049 Uiso 1 1 calc R . .
C55 C 0.3531(5) 0.0983(3) 0.95024(19) 0.0388(14) Uani 1 1 d . . .
H55 H 0.3218 0.1293 0.9651 0.047 Uiso 1 1 calc R . .
C56 C 0.4086(5) 0.1080(2) 0.91076(18) 0.0309(12) Uani 1 1 d . . .
H56 H 0.4154 0.1456 0.8994 0.037 Uiso 1 1 calc R . .
C57 C 0.4737(5) 0.1303(2) 0.80068(17) 0.0248(11) Uani 1 1 d . . .
C58 C 0.5460(5) 0.1561(2) 0.77205(18) 0.0306(12) Uani 1 1 d . . .
H58 H 0.6277 0.1465 0.7772 0.037 Uiso 1 1 calc R . .
C59 C 0.4979(6) 0.1961(2) 0.73562(19) 0.0391(14) Uani 1 1 d . . .
H59 H 0.5471 0.2131 0.7165 0.047 Uiso 1 1 calc R . .
C60 C 0.3788(6) 0.2103(3) 0.7283(2) 0.0489(17) Uani 1 1 d . . .
H60 H 0.3468 0.2373 0.7043 0.059 Uiso 1 1 calc R . .
C61 C 0.3048(6) 0.1849(3) 0.7561(2) 0.0511(17) Uani 1 1 d . . .
H61 H 0.2233 0.1947 0.7506 0.061 Uiso 1 1 calc R . .
C62 C 0.2531(6) -0.0806(3) 0.8131(3) 0.067(2) Uani 1 1 d . . .
H62A H 0.3155 -0.0961 0.8394 0.080 Uiso 1 1 calc R . .
H62B H 0.2229 -0.1116 0.7902 0.080 Uiso 1 1 calc R . .
C63 C 0.1519(6) -0.0540(3) 0.8337(3) 0.062(2) Uani 1 1 d . . .
H63A H 0.1788 -0.0452 0.8684 0.074 Uiso 1 1 calc R . .
H63B H 0.0833 -0.0802 0.8298 0.074 Uiso 1 1 calc R . .
C64 C 0.1177(7) 0.0016(4) 0.8036(3) 0.084(3) Uani 1 1 d . . .
H64A H 0.0327 0.0018 0.7878 0.100 Uiso 1 1 calc R . .
H64B H 0.1358 0.0359 0.8241 0.100 Uiso 1 1 calc R . .
C65 C 0.1970(6) -0.0020(4) 0.7665(3) 0.068(2) Uani 1 1 d . . .
H65A H 0.1546 -0.0214 0.7369 0.082 Uiso 1 1 calc R . .
H65B H 0.2195 0.0365 0.7576 0.082 Uiso 1 1 calc R . .
C66 C 0.3517(5) 0.1444(3) 0.79256(19) 0.0401(14) Uani 1 1 d . . .
H66 H 0.3016 0.1271 0.8112 0.048 Uiso 1 1 calc R . .
N1 N 0.6366(3) -0.08004(16) 0.68684(13) 0.0213(9) Uani 1 1 d . . .
N2 N 0.6792(3) 0.09007(16) 0.86967(12) 0.0185(8) Uani 1 1 d . . .
O1 O 0.6057(4) -0.25154(18) 0.54224(15) 0.0553(12) Uani 1 1 d . . .
O2 O 0.7178(4) 0.24597(16) 1.02692(13) 0.0482(11) Uani 1 1 d . . .
O3 O 0.2999(4) -0.0334(2) 0.78811(17) 0.0607(13) Uani 1 1 d . . .
B1 B 0.5474(6) 0.8435(3) 0.8715(2) 0.0369(15) Uani 1 1 d . . .
B2 B 0.8183(7) 0.1560(3) 0.6883(3) 0.0404(16) Uani 1 1 d . . .
F1 F 0.5695(3) 0.89055(14) 0.84158(12) 0.0469(9) Uani 1 1 d . . .
F2 F 0.4587(4) 0.80947(17) 0.84542(14) 0.0711(12) Uani 1 1 d . . .
F3 F 0.6519(4) 0.81079(19) 0.88429(17) 0.0824(14) Uani 1 1 d . . .
F4 F 0.5159(4) 0.86541(16) 0.91248(13) 0.0702(12) Uani 1 1 d . . .
F5 F 0.7627(3) 0.11295(14) 0.71316(11) 0.0433(8) Uani 1 1 d . . .
F6 F 0.7848(4) 0.14574(17) 0.63831(12) 0.0621(11) Uani 1 1 d . . .
F7 F 0.9435(3) 0.15090(16) 0.70289(13) 0.0558(10) Uani 1 1 d . . .
F8 F 0.7806(4) 0.20965(15) 0.70015(16) 0.0663(11) Uani 1 1 d . . .
C72 C 0.0701(15) 0.1896(5) 0.5752(4) 0.162(5) Uani 1 1 d DU A 1
H72A H -0.0018 0.1795 0.5874 0.195 Uiso 1 1 calc R A 1
H72B H 0.1394 0.1877 0.6025 0.195 Uiso 1 1 calc R A 1
C73 C 0.0864(13) 0.1490(5) 0.5359(4) 0.155(5) Uani 1 1 d DU A 1
H73A H 0.1712 0.1399 0.5379 0.187 Uiso 1 1 calc R A 1
H73B H 0.0416 0.1134 0.5372 0.187 Uiso 1 1 calc R A 1
C71 C 0.0588(17) 0.2445(5) 0.5556(5) 0.175(6) Uani 1 1 d DU . .
H71A H -0.0224 0.2596 0.5534 0.210 Uiso 1 1 calc R A 1
H71B H 0.1167 0.2710 0.5749 0.210 Uiso 1 1 calc R A 1
C74 C 0.0384(13) 0.1815(6) 0.4931(4) 0.163(6) Uani 1 1 d DU . .
H74A H 0.0710 0.1693 0.4650 0.196 Uiso 1 1 calc R A 1
H74B H -0.0493 0.1803 0.4849 0.196 Uiso 1 1 calc R A 1
O5 O 0.0826(17) 0.2359(6) 0.5111(4) 0.286(7) Uani 1 1 d DU A .
C68 C 0.2180(12) 0.5099(5) 1.0228(5) 0.136(2) Uani 1 1 d D . .
H68A H 0.1479 0.4884 1.0058 0.163 Uiso 1 1 calc R . .
H68B H 0.2333 0.4990 1.0573 0.163 Uiso 1 1 calc R . .
O4 O 0.1941(8) 0.5675(5) 1.0186(3) 0.155(3) Uani 1 1 d D . .
C69 C 0.2700(12) 0.5911(5) 0.9862(5) 0.136(2) Uani 1 1 d D . .
H69A H 0.2207 0.6088 0.9571 0.163 Uiso 1 1 calc R . .
H69B H 0.3262 0.6198 1.0033 0.163 Uiso 1 1 calc R . .
C70 C 0.3329(12) 0.5419(5) 0.9733(5) 0.136(2) Uani 1 1 d D . .
H70A H 0.3023 0.5318 0.9390 0.163 Uiso 1 1 calc R . .
H70B H 0.4185 0.5505 0.9776 0.163 Uiso 1 1 calc R . .
C67 C 0.3156(12) 0.4958(5) 1.0035(5) 0.136(2) Uani 1 1 d D . .
H67A H 0.3005 0.4602 0.9845 0.163 Uiso 1 1 calc R . .
H67B H 0.3866 0.4904 1.0295 0.163 Uiso 1 1 calc R . .


_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 P4 2.4144(12) . ?
Ag1 P1 2.4153(12) . ?
Ag1 O3 2.565(4) . ?
Ag1 Ag2 2.9034(5) . ?
Ag2 P3 2.4048(12) . ?
Ag2 P2 2.4110(12) . ?
P1 N1 1.711(4) . ?
P1 C7 1.807(5) . ?
P1 C1 1.817(5) . ?
P2 N1 1.709(4) . ?
P2 C20 1.810(5) . ?
P2 C26 1.816(5) . ?
P3 N2 1.700(4) . ?
P3 C38 1.806(5) . ?
P3 C32 1.819(5) . ?
P4 N2 1.715(4) . ?
P4 C51 1.808(4) . ?
P4 C57 1.824(5) . ?
C1 C6 1.386(7) . ?
C1 C2 1.393(7) . ?
C2 C3 1.384(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.370(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(8) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.384(7) . ?
C7 C8 1.399(7) . ?
C8 C9 1.374(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.393(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.384(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.375(7) . ?
C13 C18 1.378(7) . ?
C13 N1 1.453(6) . ?
C14 C15 1.400(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(8) . ?
C16 O1 1.386(6) . ?
C17 C18 1.384(7) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O1 1.421(8) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.386(8) . ?
C20 C25 1.398(7) . ?
C21 C22 1.389(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.373(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.401(8) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C31 1.386(7) . ?
C26 C27 1.404(7) . ?
C27 C28 1.381(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.381(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.381(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.389(7) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C37 1.382(7) . ?
C32 C33 1.397(7) . ?
C33 C34 1.388(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.369(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.371(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.387(7) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.386(7) . ?
C38 C43 1.391(7) . ?
C39 C40 1.388(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.368(10) . ?
C40 H40 0.9300 . ?
C41 C42 1.380(10) . ?
C41 H41 0.9300 . ?
C42 C43 1.384(9) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C49 1.386(6) . ?
C44 C45 1.386(6) . ?
C44 N2 1.453(6) . ?
C45 C46 1.378(7) . ?
C45 H45 0.9300 . ?
C46 C47 1.393(7) . ?
C46 H46 0.9300 . ?
C47 O2 1.364(6) . ?
C47 C48 1.386(7) . ?
C48 C49 1.389(7) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 O2 1.433(7) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.385(7) . ?
C51 C56 1.396(7) . ?
C52 C53 1.394(7) . ?
C52 H52 0.9300 . ?
C53 C54 1.375(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.367(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.387(7) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C58 1.384(7) . ?
C57 C66 1.388(7) . ?
C58 C59 1.394(7) . ?
C58 H58 0.9300 . ?
C59 C60 1.357(8) . ?
C59 H59 0.9300 . ?
C60 C61 1.379(9) . ?
C60 H60 0.9300 . ?
C61 C66 1.397(8) . ?
C61 H61 0.9300 . ?
C62 O3 1.448(8) . ?
C62 C63 1.508(9) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C64 1.535(11) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 C65 1.500(10) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 O3 1.396(8) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 H66 0.9300 . ?
B1 F2 1.357(8) . ?
B1 F4 1.357(7) . ?
B1 F3 1.383(8) . ?
B1 F1 1.419(7) . ?
B2 F8 1.370(8) . ?
B2 F6 1.381(8) . ?
B2 F7 1.392(8) . ?
B2 F5 1.425(7) . ?
C72 C71 1.374(12) . ?
C72 C73 1.476(11) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 C74 1.413(11) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C71 O5 1.331(12) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C74 O5 1.405(12) . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
C68 O4 1.356(10) . ?
C68 C67 1.360(11) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
O4 C69 1.470(10) . ?
C69 C70 1.423(11) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 C67 1.392(11) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?

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
P4 Ag1 P1 147.98(4) . . ?
P4 Ag1 O3 93.92(10) . . ?
P1 Ag1 O3 95.79(10) . . ?
P4 Ag1 Ag2 85.51(3) . . ?
P1 Ag1 Ag2 81.60(3) . . ?
O3 Ag1 Ag2 173.77(12) . . ?
P3 Ag2 P2 155.32(4) . . ?
P3 Ag2 Ag1 91.26(3) . . ?
P2 Ag2 Ag1 94.85(3) . . ?
N1 P1 C7 104.9(2) . . ?
N1 P1 C1 107.9(2) . . ?
C7 P1 C1 106.8(2) . . ?
N1 P1 Ag1 120.46(13) . . ?
C7 P1 Ag1 111.64(16) . . ?
C1 P1 Ag1 104.38(16) . . ?
N1 P2 C20 107.6(2) . . ?
N1 P2 C26 107.5(2) . . ?
C20 P2 C26 105.6(2) . . ?
N1 P2 Ag2 109.91(14) . . ?
C20 P2 Ag2 116.26(17) . . ?
C26 P2 Ag2 109.59(16) . . ?
N2 P3 C38 106.3(2) . . ?
N2 P3 C32 107.4(2) . . ?
C38 P3 C32 105.8(2) . . ?
N2 P3 Ag2 112.48(13) . . ?
C38 P3 Ag2 116.06(17) . . ?
C32 P3 Ag2 108.22(16) . . ?
N2 P4 C51 103.64(19) . . ?
N2 P4 C57 106.8(2) . . ?
C51 P4 C57 108.2(2) . . ?
N2 P4 Ag1 117.72(14) . . ?
C51 P4 Ag1 113.52(16) . . ?
C57 P4 Ag1 106.52(15) . . ?
C6 C1 C2 118.6(5) . . ?
C6 C1 P1 121.3(4) . . ?
C2 C1 P1 118.6(4) . . ?
C3 C2 C1 120.3(6) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 120.2(6) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 120.4(6) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 119.7(6) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.7(5) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C12 C7 C8 119.8(5) . . ?
C12 C7 P1 117.7(4) . . ?
C8 C7 P1 122.5(4) . . ?
C9 C8 C7 119.3(5) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 121.3(6) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C9 C10 C11 119.4(6) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.0(6) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C7 C12 C11 120.1(5) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C18 120.0(4) . . ?
C14 C13 N1 120.5(4) . . ?
C18 C13 N1 119.4(4) . . ?
C13 C14 C15 120.4(5) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.2(5) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C15 C16 C17 120.3(5) . . ?
C15 C16 O1 125.0(5) . . ?
C17 C16 O1 114.7(5) . . ?
C16 C17 C18 120.6(5) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C13 C18 C17 119.3(5) . . ?
C13 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
O1 C19 H19A 109.5 . . ?
O1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 119.3(5) . . ?
C21 C20 P2 116.2(4) . . ?
C25 C20 P2 124.6(4) . . ?
C20 C21 C22 120.8(6) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C23 C22 C21 119.6(6) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 120.7(6) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 120.2(6) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C20 C25 C24 119.4(6) . . ?
C20 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C31 C26 C27 119.0(5) . . ?
C31 C26 P2 124.6(4) . . ?
C27 C26 P2 116.0(4) . . ?
C28 C27 C26 120.7(5) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 119.6(5) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.3(5) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C31 120.4(5) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C26 C31 C30 119.9(5) . . ?
C26 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C37 C32 C33 118.9(5) . . ?
C37 C32 P3 118.1(4) . . ?
C33 C32 P3 122.3(4) . . ?
C34 C33 C32 118.9(6) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C35 C34 C33 121.4(6) . . ?
C35 C34 H34 119.3 . . ?
C33 C34 H34 119.3 . . ?
C34 C35 C36 120.0(5) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 H36 120.3 . . ?
C37 C36 H36 120.3 . . ?
C32 C37 C36 121.4(5) . . ?
C32 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C39 C38 C43 118.8(5) . . ?
C39 C38 P3 117.6(4) . . ?
C43 C38 P3 123.6(4) . . ?
C38 C39 C40 120.4(6) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C41 C40 C39 120.5(6) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C40 C41 C42 119.5(6) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
C41 C42 C43 120.5(7) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C42 C43 C38 120.2(6) . . ?
C42 C43 H43 119.9 . . ?
C38 C43 H43 119.9 . . ?
C49 C44 C45 119.5(4) . . ?
C49 C44 N2 120.1(4) . . ?
C45 C44 N2 120.4(4) . . ?
C46 C45 C44 119.9(4) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C47 120.9(5) . . ?
C45 C46 H46 119.6 . . ?
C47 C46 H46 119.6 . . ?
O2 C47 C48 124.3(5) . . ?
O2 C47 C46 116.5(5) . . ?
C48 C47 C46 119.2(4) . . ?
C47 C48 C49 119.9(4) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 H48 120.1 . . ?
C44 C49 C48 120.6(4) . . ?
C44 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
O2 C50 H50A 109.5 . . ?
O2 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O2 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C56 119.3(4) . . ?
C52 C51 P4 116.7(4) . . ?
C56 C51 P4 123.9(4) . . ?
C51 C52 C53 120.2(5) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C54 C53 C52 119.5(5) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C55 C54 C53 121.0(5) . . ?
C55 C54 H54 119.5 . . ?
C53 C54 H54 119.5 . . ?
C54 C55 C56 119.9(5) . . ?
C54 C55 H55 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 C51 120.0(5) . . ?
C55 C56 H56 120.0 . . ?
C51 C56 H56 120.0 . . ?
C58 C57 C66 119.3(5) . . ?
C58 C57 P4 117.3(4) . . ?
C66 C57 P4 122.3(4) . . ?
C57 C58 C59 120.8(5) . . ?
C57 C58 H58 119.6 . . ?
C59 C58 H58 119.6 . . ?
C60 C59 C58 119.6(5) . . ?
C60 C59 H59 120.2 . . ?
C58 C59 H59 120.2 . . ?
C59 C60 C61 120.7(5) . . ?
C59 C60 H60 119.7 . . ?
C61 C60 H60 119.7 . . ?
C60 C61 C66 120.4(6) . . ?
C60 C61 H61 119.8 . . ?
C66 C61 H61 119.8 . . ?
O3 C62 C63 104.8(6) . . ?
O3 C62 H62A 110.8 . . ?
C63 C62 H62A 110.8 . . ?
O3 C62 H62B 110.8 . . ?
C63 C62 H62B 110.8 . . ?
H62A C62 H62B 108.9 . . ?
C62 C63 C64 105.1(6) . . ?
C62 C63 H63A 110.7 . . ?
C64 C63 H63A 110.7 . . ?
C62 C63 H63B 110.7 . . ?
C64 C63 H63B 110.7 . . ?
H63A C63 H63B 108.8 . . ?
C65 C64 C63 102.0(6) . . ?
C65 C64 H64A 111.4 . . ?
C63 C64 H64A 111.4 . . ?
C65 C64 H64B 111.4 . . ?
C63 C64 H64B 111.4 . . ?
H64A C64 H64B 109.2 . . ?
O3 C65 C64 107.2(7) . . ?
O3 C65 H65A 110.3 . . ?
C64 C65 H65A 110.3 . . ?
O3 C65 H65B 110.3 . . ?
C64 C65 H65B 110.3 . . ?
H65A C65 H65B 108.5 . . ?
C57 C66 C61 119.3(5) . . ?
C57 C66 H66 120.4 . . ?
C61 C66 H66 120.4 . . ?
C13 N1 P2 119.4(3) . . ?
C13 N1 P1 120.0(3) . . ?
P2 N1 P1 120.6(2) . . ?
C44 N2 P3 119.9(3) . . ?
C44 N2 P4 118.6(3) . . ?
P3 N2 P4 121.5(2) . . ?
C16 O1 C19 117.3(5) . . ?
C47 O2 C50 117.0(5) . . ?
C65 O3 C62 104.1(5) . . ?
C65 O3 Ag1 129.1(4) . . ?
C62 O3 Ag1 126.8(4) . . ?
F2 B1 F4 111.7(5) . . ?
F2 B1 F3 108.5(5) . . ?
F4 B1 F3 110.2(5) . . ?
F2 B1 F1 109.3(5) . . ?
F4 B1 F1 108.2(5) . . ?
F3 B1 F1 108.9(5) . . ?
F8 B2 F6 111.2(5) . . ?
F8 B2 F7 110.7(5) . . ?
F6 B2 F7 109.1(5) . . ?
F8 B2 F5 109.0(5) . . ?
F6 B2 F5 108.0(5) . . ?
F7 B2 F5 108.8(5) . . ?
C71 C72 C73 108.0(10) . . ?
C71 C72 H72A 110.1 . . ?
C73 C72 H72A 110.1 . . ?
C71 C72 H72B 110.1 . . ?
C73 C72 H72B 110.1 . . ?
H72A C72 H72B 108.4 . . ?
C74 C73 C72 101.5(10) . . ?
C74 C73 H73A 111.5 . . ?
C72 C73 H73A 111.5 . . ?
C74 C73 H73B 111.5 . . ?
C72 C73 H73B 111.5 . . ?
H73A C73 H73B 109.3 . . ?
O5 C71 C72 102.1(11) . . ?
O5 C71 H71A 111.4 . . ?
C72 C71 H71A 111.4 . . ?
O5 C71 H71B 111.3 . . ?
C72 C71 H71B 111.3 . . ?
H71A C71 H71B 109.2 . . ?
O5 C74 C73 97.4(9) . . ?
O5 C74 H74A 112.3 . . ?
C73 C74 H74A 112.3 . . ?
O5 C74 H74B 112.3 . . ?
C73 C74 H74B 112.3 . . ?
H74A C74 H74B 109.9 . . ?
C71 O5 C74 109.7(13) . . ?
O4 C68 C67 111.4(10) . . ?
O4 C68 H68A 109.4 . . ?
C67 C68 H68A 109.4 . . ?
O4 C68 H68B 109.3 . . ?
C67 C68 H68B 109.4 . . ?
H68A C68 H68B 108.0 . . ?
C68 O4 C69 106.5(9) . . ?
C70 C69 O4 104.1(9) . . ?
C70 C69 H69A 110.9 . . ?
O4 C69 H69A 110.9 . . ?
C70 C69 H69B 110.9 . . ?
O4 C69 H69B 110.9 . . ?
H69A C69 H69B 109.0 . . ?
C67 C70 C69 108.6(10) . . ?
C67 C70 H70A 110.0 . . ?
C69 C70 H70A 110.0 . . ?
C67 C70 H70B 110.0 . . ?
C69 C70 H70B 110.0 . . ?
H70A C70 H70B 108.3 . . ?
C68 C67 C70 106.2(11) . . ?
C68 C67 H67A 110.5 . . ?
C70 C67 H67A 110.5 . . ?
C68 C67 H67B 110.5 . . ?
C70 C67 H67B 110.5 . . ?
H67A C67 H67B 108.7 . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.555
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.100

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_2b
_database_code_depnum_ccdc_archive 'CCDC 1497151'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H54 Ag N2 P4 S2, B F4'
_chemical_formula_sum            'C62 H54 Ag B F4 N2 P4 S2'
_chemical_formula_weight         1209.75

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   'P 43'
_symmetry_space_group_name_Hall  'P 4cw'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+3/4'
'y, -x, z+1/4'

_cell_length_a                   11.9470(2)
_cell_length_b                   11.9470(2)
_cell_length_c                   41.0063(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5852.86(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    89736
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2480
_exptl_absorpt_coefficient_mu    0.578
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40141
_diffrn_reflns_av_R_equivalents  0.0775
_diffrn_reflns_av_sigmaI/netI    0.1061
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         27.50
_reflns_number_total             11820
_reflns_number_gt                7220
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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 > 2σ(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)+(0.0894P)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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.34(3)
_refine_ls_number_reflns         11820
_refine_ls_number_parameters     682
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1258
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_ref         0.1688
_refine_ls_wR_factor_gt          0.1250
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_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
C1 C 0.9369(5) 0.1286(6) 0.2155(2) 0.0309(18) Uani 1 1 d . . .
C2 C 0.9755(5) 0.1195(6) 0.1829(2) 0.0373(18) Uani 1 1 d . . .
H2 H 0.9588 0.1764 0.1674 0.045 Uiso 1 1 calc R . .
C3 C 1.0382(6) 0.0261(8) 0.1738(2) 0.050(2) Uani 1 1 d . . .
H3 H 1.0627 0.0183 0.1518 0.060 Uiso 1 1 calc R . .
C4 C 1.0650(6) -0.0555(7) 0.1965(3) 0.052(2) Uani 1 1 d . . .
H4 H 1.1068 -0.1195 0.1900 0.063 Uiso 1 1 calc R . .
C5 C 1.0309(6) -0.0440(7) 0.2286(2) 0.045(2) Uani 1 1 d . . .
H5 H 1.0526 -0.0983 0.2443 0.054 Uiso 1 1 calc R . .
C6 C 0.9657(6) 0.0457(6) 0.2380(2) 0.039(2) Uani 1 1 d . . .
H6 H 0.9402 0.0512 0.2599 0.047 Uiso 1 1 calc R . .
C7 C 0.9413(5) 0.3669(5) 0.22460(19) 0.0297(17) Uani 1 1 d . . .
C8 C 0.8949(7) 0.4712(6) 0.2240(2) 0.043(2) Uani 1 1 d . . .
H8 H 0.8161 0.4786 0.2217 0.052 Uiso 1 1 calc R . .
C9 C 0.9605(8) 0.5669(6) 0.2266(2) 0.054(2) Uani 1 1 d . . .
H9 H 0.9264 0.6387 0.2262 0.064 Uiso 1 1 calc R . .
C10 C 1.0738(8) 0.5578(7) 0.2298(2) 0.060(3) Uani 1 1 d . . .
H10 H 1.1191 0.6228 0.2317 0.072 Uiso 1 1 calc R . .
C11 C 1.1212(6) 0.4536(7) 0.2303(2) 0.058(3) Uani 1 1 d . . .
H11 H 1.2000 0.4472 0.2329 0.070 Uiso 1 1 calc R . .
C12 C 1.0581(6) 0.3580(6) 0.2272(2) 0.043(2) Uani 1 1 d . . .
H12 H 1.0931 0.2866 0.2268 0.051 Uiso 1 1 calc R . .
C13 C 0.5196(5) 0.1641(5) 0.21859(18) 0.0290(17) Uani 1 1 d . . .
C14 C 0.4120(5) 0.1880(6) 0.20766(18) 0.0361(18) Uani 1 1 d . . .
H14 H 0.3921 0.2623 0.2018 0.043 Uiso 1 1 calc R . .
C15 C 0.3325(6) 0.1005(7) 0.2054(2) 0.047(2) Uani 1 1 d . . .
H15 H 0.2591 0.1162 0.1977 0.057 Uiso 1 1 calc R . .
C16 C 0.3604(6) -0.0052(7) 0.21397(19) 0.048(2) Uani 1 1 d . . .
H16 H 0.3059 -0.0629 0.2127 0.057 Uiso 1 1 calc R . .
C17 C 0.4694(7) -0.0306(7) 0.2248(2) 0.054(2) Uani 1 1 d . . .
H17 H 0.4892 -0.1053 0.2303 0.064 Uiso 1 1 calc R . .
C18 C 0.5476(6) 0.0552(6) 0.2273(2) 0.040(2) Uani 1 1 d . . .
H18 H 0.6208 0.0392 0.2349 0.047 Uiso 1 1 calc R . .
C19 C 0.5480(6) 0.4001(6) 0.2187(2) 0.0321(19) Uani 1 1 d . . .
C20 C 0.5245(6) 0.4345(6) 0.18716(19) 0.0358(18) Uani 1 1 d . . .
H20 H 0.5531 0.3935 0.1691 0.043 Uiso 1 1 calc R . .
C21 C 0.4589(6) 0.5294(6) 0.1818(2) 0.051(2) Uani 1 1 d . . .
H21 H 0.4449 0.5542 0.1602 0.061 Uiso 1 1 calc R . .
C22 C 0.4140(6) 0.5874(7) 0.2080(3) 0.054(3) Uani 1 1 d . . .
H22 H 0.3687 0.6516 0.2045 0.065 Uiso 1 1 calc R . .
C23 C 0.4354(7) 0.5516(6) 0.2389(2) 0.051(2) Uani 1 1 d . . .
H23 H 0.4022 0.5901 0.2567 0.061 Uiso 1 1 calc R . .
C24 C 0.5042(6) 0.4606(6) 0.2452(2) 0.0377(19) Uani 1 1 d . . .
H24 H 0.5214 0.4396 0.2670 0.045 Uiso 1 1 calc R . .
C25 C 0.7381(5) 0.2500(5) 0.1711(3) 0.028(2) Uani 1 1 d . . .
C26 C 0.6953(5) 0.1548(6) 0.1557(2) 0.0302(17) Uani 1 1 d . . .
H26 H 0.6642 0.0963 0.1685 0.036 Uiso 1 1 calc R . .
C27 C 0.6976(6) 0.1445(6) 0.12192(19) 0.0369(19) Uani 1 1 d . . .
H27 H 0.6681 0.0790 0.1120 0.044 Uiso 1 1 calc R . .
C28 C 0.7422(6) 0.2285(6) 0.1024(2) 0.0330(18) Uani 1 1 d . . .
C29 C 0.7876(6) 0.3217(6) 0.1175(2) 0.0350(18) Uani 1 1 d . . .
H29 H 0.8210 0.3790 0.1047 0.042 Uiso 1 1 calc R . .
C30 C 0.7844(6) 0.3320(6) 0.1518(2) 0.0317(18) Uani 1 1 d . . .
H30 H 0.8150 0.3971 0.1617 0.038 Uiso 1 1 calc R . .
C31 C 0.8154(8) 0.3171(7) 0.0432(2) 0.069(3) Uani 1 1 d . . .
H31A H 0.7837 0.3896 0.0495 0.104 Uiso 1 1 calc R . .
H31B H 0.8156 0.3104 0.0194 0.104 Uiso 1 1 calc R . .
H31C H 0.8922 0.3114 0.0514 0.104 Uiso 1 1 calc R . .
C32 C 0.8440(6) 0.0399(6) 0.33746(19) 0.0328(18) Uani 1 1 d . . .
C33 C 0.9519(6) 0.0759(6) 0.3301(2) 0.038(2) Uani 1 1 d . . .
H33 H 0.9651 0.1533 0.3266 0.046 Uiso 1 1 calc R . .
C34 C 1.0399(6) 0.0019(7) 0.3280(2) 0.045(2) Uani 1 1 d . . .
H34 H 1.1131 0.0287 0.3234 0.054 Uiso 1 1 calc R . .
C35 C 1.0217(7) -0.1113(6) 0.3324(2) 0.049(2) Uani 1 1 d . . .
H35 H 1.0817 -0.1631 0.3303 0.058 Uiso 1 1 calc R . .
C36 C 0.9182(7) -0.1472(6) 0.3397(2) 0.053(2) Uani 1 1 d . . .
H36 H 0.9062 -0.2250 0.3429 0.064 Uiso 1 1 calc R . .
C37 C 0.8290(6) -0.0752(6) 0.3427(2) 0.048(2) Uani 1 1 d . . .
H37 H 0.7571 -0.1035 0.3483 0.058 Uiso 1 1 calc R . .
C38 C 0.6114(6) 0.0563(6) 0.3490(2) 0.0335(19) Uani 1 1 d . . .
C39 C 0.5993(6) 0.0320(6) 0.3820(2) 0.043(2) Uani 1 1 d . . .
H39 H 0.6526 0.0592 0.3972 0.052 Uiso 1 1 calc R . .
C40 C 0.5095(7) -0.0321(6) 0.3926(2) 0.055(3) Uani 1 1 d . . .
H40 H 0.4996 -0.0457 0.4152 0.066 Uiso 1 1 calc R . .
C41 C 0.4354(7) -0.0755(7) 0.3707(2) 0.057(2) Uani 1 1 d . . .
H41 H 0.3758 -0.1216 0.3781 0.069 Uiso 1 1 calc R . .
C42 C 0.4459(7) -0.0537(7) 0.3388(3) 0.057(2) Uani 1 1 d . . .
H42 H 0.3931 -0.0838 0.3238 0.069 Uiso 1 1 calc R . .
C43 C 0.5346(6) 0.0134(6) 0.3271(2) 0.040(2) Uani 1 1 d . . .
H43 H 0.5414 0.0288 0.3045 0.048 Uiso 1 1 calc R . .
C44 C 0.8771(6) 0.4492(6) 0.34141(19) 0.0286(18) Uani 1 1 d . . .
C45 C 0.9532(6) 0.4716(6) 0.3165(2) 0.039(2) Uani 1 1 d . . .
H45 H 0.9401 0.4409 0.2955 0.046 Uiso 1 1 calc R . .
C46 C 1.0480(7) 0.5374(6) 0.3215(2) 0.045(2) Uani 1 1 d . . .
H46 H 1.0984 0.5535 0.3042 0.054 Uiso 1 1 calc R . .
C47 C 1.0658(7) 0.5788(7) 0.3527(2) 0.047(2) Uani 1 1 d . . .
H47 H 1.1295 0.6242 0.3569 0.057 Uiso 1 1 calc R . .
C48 C 0.9932(7) 0.5552(6) 0.3776(2) 0.045(2) Uani 1 1 d . . .
H48 H 1.0085 0.5827 0.3989 0.054 Uiso 1 1 calc R . .
C49 C 0.8985(6) 0.4924(6) 0.3724(2) 0.040(2) Uani 1 1 d . . .
H49 H 0.8479 0.4785 0.3898 0.048 Uiso 1 1 calc R . .
C50 C 0.6373(6) 0.4613(6) 0.34173(19) 0.0312(17) Uani 1 1 d . . .
C51 C 0.6482(6) 0.5766(6) 0.3442(2) 0.047(2) Uani 1 1 d . . .
H51 H 0.7208 0.6089 0.3451 0.056 Uiso 1 1 calc R . .
C52 C 0.5554(7) 0.6447(6) 0.3454(2) 0.063(3) Uani 1 1 d . . .
H52 H 0.5643 0.7236 0.3467 0.076 Uiso 1 1 calc R . .
C53 C 0.4504(7) 0.5992(7) 0.3446(2) 0.060(3) Uani 1 1 d . . .
H53 H 0.3870 0.6472 0.3449 0.072 Uiso 1 1 calc R . .
C54 C 0.4352(7) 0.4859(7) 0.3434(2) 0.056(3) Uani 1 1 d . . .
H54 H 0.3618 0.4553 0.3438 0.067 Uiso 1 1 calc R . .
C55 C 0.5287(6) 0.4151(6) 0.3417(2) 0.042(2) Uani 1 1 d . . .
H55 H 0.5189 0.3363 0.3405 0.050 Uiso 1 1 calc R . .
C56 C 0.7635(6) 0.2543(5) 0.3901(2) 0.0259(19) Uani 1 1 d . . .
C57 C 0.6812(6) 0.2964(6) 0.41073(19) 0.0346(19) Uani 1 1 d . . .
H57 H 0.6129 0.3243 0.4021 0.042 Uiso 1 1 calc R . .
C58 C 0.6998(6) 0.2972(6) 0.44400(18) 0.0334(17) Uani 1 1 d . . .
H58 H 0.6440 0.3259 0.4582 0.040 Uiso 1 1 calc R . .
C59 C 0.7979(6) 0.2571(5) 0.45672(19) 0.0302(17) Uani 1 1 d . . .
C60 C 0.8803(6) 0.2169(5) 0.43591(17) 0.0337(17) Uani 1 1 d . . .
H60 H 0.9487 0.1899 0.4447 0.040 Uiso 1 1 calc R . .
C61 C 0.8646(5) 0.2156(6) 0.40321(19) 0.0295(17) Uani 1 1 d . . .
H61 H 0.9219 0.1886 0.3892 0.035 Uiso 1 1 calc R . .
C62 C 0.7191(7) 0.3206(8) 0.5181(2) 0.071(3) Uani 1 1 d . . .
H62A H 0.7155 0.3962 0.5089 0.107 Uiso 1 1 calc R . .
H62B H 0.7332 0.3253 0.5416 0.107 Uiso 1 1 calc R . .
H62C H 0.6480 0.2820 0.5143 0.107 Uiso 1 1 calc R . .
N1 N 0.7374(4) 0.2571(4) 0.20620(19) 0.0236(16) Uani 1 1 d . . .
N2 N 0.7477(4) 0.2522(4) 0.3551(2) 0.0294(19) Uani 1 1 d . . .
F1 F 0.2313(5) 0.7122(5) 0.29736(19) 0.104(2) Uani 1 1 d . . .
F2 F 0.3905(3) 0.7828(3) 0.27699(13) 0.0617(13) Uani 1 1 d . . .
F3 F 0.2387(4) 0.7671(3) 0.24474(15) 0.0666(16) Uani 1 1 d . . .
F4 F 0.2409(3) 0.8966(3) 0.28492(12) 0.0587(13) Uani 1 1 d . . .
P1 P 0.85390(15) 0.24351(14) 0.23062(5) 0.0268(4) Uani 1 1 d . . .
P2 P 0.62015(14) 0.27168(14) 0.23003(5) 0.0278(5) Uani 1 1 d . . .
P3 P 0.72727(15) 0.13498(15) 0.33176(5) 0.0285(5) Uani 1 1 d . . .
P4 P 0.75329(15) 0.36958(15) 0.33053(5) 0.0281(4) Uani 1 1 d . . .
S1 S 0.73228(17) 0.20685(18) 0.06038(6) 0.0489(5) Uani 1 1 d . . .
S2 S 0.82836(16) 0.24555(17) 0.49927(5) 0.0451(5) Uani 1 1 d . . .
Ag1 Ag 0.73121(4) 0.24976(5) 0.28061(2) 0.03364(15) Uani 1 1 d . . .
B1 B 0.2705(8) 0.7862(7) 0.2775(3) 0.047(2) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.397(10) . ?
C1 C2 1.417(10) . ?
C1 P1 1.804(7) . ?
C2 C3 1.396(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.379(11) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.364(9) . ?
C7 C12 1.403(9) . ?
C7 P1 1.824(6) . ?
C8 C9 1.390(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.364(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.367(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.375(10) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.390(10) . ?
C13 C14 1.390(9) . ?
C13 P2 1.821(7) . ?
C14 C15 1.416(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.353(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.409(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(10) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.384(10) . ?
C19 C24 1.408(11) . ?
C19 P2 1.820(7) . ?
C20 C21 1.395(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.361(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(10) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.377(11) . ?
C25 C26 1.398(10) . ?
C25 N1 1.440(13) . ?
C26 C27 1.391(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(10) . ?
C28 S1 1.747(8) . ?
C29 C30 1.411(11) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 S1 1.792(8) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.391(10) . ?
C32 C37 1.404(9) . ?
C32 P3 1.814(7) . ?
C33 C34 1.376(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.383(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.343(11) . ?
C35 H35 0.9500 . ?
C36 C37 1.375(10) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C43 1.383(11) . ?
C38 C39 1.390(11) . ?
C38 P3 1.816(8) . ?
C39 C40 1.388(11) . ?
C39 H39 0.9500 . ?
C40 C41 1.363(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.341(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.412(11) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.393(11) . ?
C44 C49 1.396(10) . ?
C44 P4 1.815(7) . ?
C45 C46 1.394(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.369(11) . ?
C47 H47 0.9500 . ?
C48 C49 1.373(11) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.387(9) . ?
C50 C55 1.409(10) . ?
C50 P4 1.826(7) . ?
C51 C52 1.377(10) . ?
C51 H51 0.9500 . ?
C52 C53 1.367(12) . ?
C52 H52 0.9500 . ?
C53 C54 1.367(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.403(10) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.392(11) . ?
C56 C61 1.401(10) . ?
C56 N2 1.446(13) . ?
C57 C58 1.382(10) . ?
C57 H57 0.9500 . ?
C58 C59 1.369(10) . ?
C58 H58 0.9500 . ?
C59 C60 1.388(10) . ?
C59 S2 1.788(8) . ?
C60 C61 1.354(10) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C62 S2 1.761(9) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
N1 P2 1.717(6) . ?
N1 P1 1.722(6) . ?
N2 P3 1.714(7) . ?
N2 P4 1.728(7) . ?
F1 B1 1.291(11) . ?
F2 B1 1.434(10) . ?
F3 B1 1.414(13) . ?
F4 B1 1.399(10) . ?
P1 Ag1 2.521(2) . ?
P2 Ag1 2.476(2) . ?
P3 Ag1 2.506(2) . ?
P4 Ag1 2.512(2) . ?

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
C6 C1 C2 119.3(7) . . ?
C6 C1 P1 116.6(6) . . ?
C2 C1 P1 124.2(6) . . ?
C3 C2 C1 119.2(8) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C4 C3 C2 120.4(9) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.1(8) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 120.5(8) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C1 120.4(9) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C8 C7 C12 118.4(6) . . ?
C8 C7 P1 120.5(5) . . ?
C12 C7 P1 119.8(5) . . ?
C7 C8 C9 121.3(8) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C10 C9 C8 120.1(8) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.0(8) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C10 C11 C12 121.9(7) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C7 119.3(7) . . ?
C11 C12 H12 120.4 . . ?
C7 C12 H12 120.4 . . ?
C18 C13 C14 119.8(6) . . ?
C18 C13 P2 115.9(5) . . ?
C14 C13 P2 123.2(5) . . ?
C13 C14 C15 119.3(7) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 120.4(7) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.8(7) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 119.0(8) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C13 C18 C17 120.7(7) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C24 119.5(7) . . ?
C20 C19 P2 125.8(6) . . ?
C24 C19 P2 114.3(6) . . ?
C19 C20 C21 120.1(8) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 120.1(8) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 119.4(8) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 122.1(8) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C23 C24 C19 118.6(8) . . ?
C23 C24 H24 120.7 . . ?
C19 C24 H24 120.7 . . ?
C30 C25 C26 117.7(10) . . ?
C30 C25 N1 122.4(7) . . ?
C26 C25 N1 119.8(7) . . ?
C27 C26 C25 121.0(7) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 121.1(7) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C29 C28 C27 118.3(8) . . ?
C29 C28 S1 125.9(6) . . ?
C27 C28 S1 115.8(6) . . ?
C28 C29 C30 120.3(7) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 121.5(7) . . ?
C25 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
S1 C31 H31A 109.5 . . ?
S1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
S1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C37 117.0(6) . . ?
C33 C32 P3 119.4(5) . . ?
C37 C32 P3 122.3(6) . . ?
C34 C33 C32 121.5(7) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C33 C34 C35 120.0(8) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 119.1(7) . . ?
C36 C35 H35 120.5 . . ?
C34 C35 H35 120.5 . . ?
C35 C36 C37 122.3(7) . . ?
C35 C36 H36 118.8 . . ?
C37 C36 H36 118.8 . . ?
C36 C37 C32 120.0(7) . . ?
C36 C37 H37 120.0 . . ?
C32 C37 H37 120.0 . . ?
C43 C38 C39 119.0(7) . . ?
C43 C38 P3 116.4(7) . . ?
C39 C38 P3 124.5(6) . . ?
C40 C39 C38 120.1(8) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 C39 120.3(9) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C42 C41 C40 120.6(9) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 H41 119.7 . . ?
C41 C42 C43 120.8(9) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C38 C43 C42 119.2(9) . . ?
C38 C43 H43 120.4 . . ?
C42 C43 H43 120.4 . . ?
C45 C44 C49 118.5(7) . . ?
C45 C44 P4 116.9(6) . . ?
C49 C44 P4 124.5(6) . . ?
C44 C45 C46 122.1(8) . . ?
C44 C45 H45 119.0 . . ?
C46 C45 H45 119.0 . . ?
C47 C46 C45 117.4(8) . . ?
C47 C46 H46 121.3 . . ?
C45 C46 H46 121.3 . . ?
C48 C47 C46 121.1(7) . . ?
C48 C47 H47 119.4 . . ?
C46 C47 H47 119.4 . . ?
C47 C48 C49 121.3(8) . . ?
C47 C48 H48 119.4 . . ?
C49 C48 H48 119.4 . . ?
C48 C49 C44 119.6(8) . . ?
C48 C49 H49 120.2 . . ?
C44 C49 H49 120.2 . . ?
C51 C50 C55 118.4(6) . . ?
C51 C50 P4 122.9(6) . . ?
C55 C50 P4 117.6(5) . . ?
C52 C51 C50 120.9(7) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C53 C52 C51 120.2(7) . . ?
C53 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C54 C53 C52 121.1(7) . . ?
C54 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C53 C54 C55 119.5(8) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C54 C55 C50 119.8(7) . . ?
C54 C55 H55 120.1 . . ?
C50 C55 H55 120.1 . . ?
C57 C56 C61 119.6(8) . . ?
C57 C56 N2 121.2(7) . . ?
C61 C56 N2 119.2(7) . . ?
C58 C57 C56 119.3(7) . . ?
C58 C57 H57 120.4 . . ?
C56 C57 H57 120.4 . . ?
C59 C58 C57 120.8(7) . . ?
C59 C58 H58 119.6 . . ?
C57 C58 H58 119.6 . . ?
C58 C59 C60 119.6(7) . . ?
C58 C59 S2 125.0(6) . . ?
C60 C59 S2 115.4(5) . . ?
C61 C60 C59 120.9(7) . . ?
C61 C60 H60 119.5 . . ?
C59 C60 H60 119.5 . . ?
C60 C61 C56 119.8(7) . . ?
C60 C61 H61 120.1 . . ?
C56 C61 H61 120.1 . . ?
S2 C62 H62A 109.5 . . ?
S2 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
S2 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C25 N1 P2 125.3(5) . . ?
C25 N1 P1 124.8(5) . . ?
P2 N1 P1 109.8(4) . . ?
C56 N2 P3 125.9(4) . . ?
C56 N2 P4 124.0(4) . . ?
P3 N2 P4 110.0(5) . . ?
N1 P1 C1 108.4(3) . . ?
N1 P1 C7 107.9(3) . . ?
C1 P1 C7 104.7(3) . . ?
N1 P1 Ag1 90.0(2) . . ?
C1 P1 Ag1 128.5(3) . . ?
C7 P1 Ag1 114.8(3) . . ?
N1 P2 C19 109.1(3) . . ?
N1 P2 C13 108.7(3) . . ?
C19 P2 C13 102.5(3) . . ?
N1 P2 Ag1 91.6(2) . . ?
C19 P2 Ag1 123.9(3) . . ?
C13 P2 Ag1 119.6(3) . . ?
N2 P3 C32 109.3(3) . . ?
N2 P3 C38 108.3(4) . . ?
C32 P3 C38 102.2(3) . . ?
N2 P3 Ag1 91.0(3) . . ?
C32 P3 Ag1 115.9(3) . . ?
C38 P3 Ag1 128.5(3) . . ?
N2 P4 C44 108.3(3) . . ?
N2 P4 C50 108.2(3) . . ?
C44 P4 C50 104.0(3) . . ?
N2 P4 Ag1 90.5(3) . . ?
C44 P4 Ag1 125.8(3) . . ?
C50 P4 Ag1 117.9(3) . . ?
C28 S1 C31 103.9(4) . . ?
C62 S2 C59 103.7(4) . . ?
P2 Ag1 P3 138.49(6) . . ?
P2 Ag1 P4 132.74(6) . . ?
P3 Ag1 P4 68.40(7) . . ?
P2 Ag1 P1 68.50(7) . . ?
P3 Ag1 P1 132.47(6) . . ?
P4 Ag1 P1 128.20(6) . . ?
F1 B1 F4 114.6(9) . . ?
F1 B1 F3 113.1(8) . . ?
F4 B1 F3 107.0(7) . . ?
F1 B1 F2 110.6(8) . . ?
F4 B1 F2 106.4(7) . . ?
F3 B1 F2 104.5(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 2.2(10) . . . . ?
P1 C1 C2 C3 -179.3(5) . . . . ?
C1 C2 C3 C4 -1.7(11) . . . . ?
C2 C3 C4 C5 -0.9(12) . . . . ?
C3 C4 C5 C6 3.1(12) . . . . ?
C4 C5 C6 C1 -2.6(12) . . . . ?
C2 C1 C6 C5 0.0(11) . . . . ?
P1 C1 C6 C5 -178.7(6) . . . . ?
C12 C7 C8 C9 -1.5(13) . . . . ?
P1 C7 C8 C9 165.7(7) . . . . ?
C7 C8 C9 C10 0.2(14) . . . . ?
C8 C9 C10 C11 0.2(15) . . . . ?
C9 C10 C11 C12 0.9(15) . . . . ?
C10 C11 C12 C7 -2.3(14) . . . . ?
C8 C7 C12 C11 2.5(12) . . . . ?
P1 C7 C12 C11 -164.8(7) . . . . ?
C18 C13 C14 C15 -0.3(11) . . . . ?
P2 C13 C14 C15 -167.8(6) . . . . ?
C13 C14 C15 C16 0.6(12) . . . . ?
C14 C15 C16 C17 -1.2(12) . . . . ?
C15 C16 C17 C18 1.6(13) . . . . ?
C14 C13 C18 C17 0.7(12) . . . . ?
P2 C13 C18 C17 169.0(7) . . . . ?
C16 C17 C18 C13 -1.3(13) . . . . ?
C24 C19 C20 C21 0.7(11) . . . . ?
P2 C19 C20 C21 173.6(6) . . . . ?
C19 C20 C21 C22 -2.1(11) . . . . ?
C20 C21 C22 C23 0.6(12) . . . . ?
C21 C22 C23 C24 2.3(12) . . . . ?
C22 C23 C24 C19 -3.6(12) . . . . ?
C20 C19 C24 C23 2.0(11) . . . . ?
P2 C19 C24 C23 -171.7(6) . . . . ?
C30 C25 C26 C27 -1.2(10) . . . . ?
N1 C25 C26 C27 -178.3(6) . . . . ?
C25 C26 C27 C28 -0.1(11) . . . . ?
C26 C27 C28 C29 1.9(10) . . . . ?
C26 C27 C28 S1 -176.7(5) . . . . ?
C27 C28 C29 C30 -2.2(10) . . . . ?
S1 C28 C29 C30 176.1(5) . . . . ?
C26 C25 C30 C29 0.8(10) . . . . ?
N1 C25 C30 C29 177.8(6) . . . . ?
C28 C29 C30 C25 0.9(11) . . . . ?
C37 C32 C33 C34 0.3(12) . . . . ?
P3 C32 C33 C34 -167.3(7) . . . . ?
C32 C33 C34 C35 1.4(13) . . . . ?
C33 C34 C35 C36 -1.8(14) . . . . ?
C34 C35 C36 C37 0.5(14) . . . . ?
C35 C36 C37 C32 1.2(14) . . . . ?
C33 C32 C37 C36 -1.5(12) . . . . ?
P3 C32 C37 C36 165.6(7) . . . . ?
C43 C38 C39 C40 -1.8(12) . . . . ?
P3 C38 C39 C40 -177.8(6) . . . . ?
C38 C39 C40 C41 2.9(12) . . . . ?
C39 C40 C41 C42 -2.4(13) . . . . ?
C40 C41 C42 C43 0.8(14) . . . . ?
C39 C38 C43 C42 0.2(11) . . . . ?
P3 C38 C43 C42 176.6(5) . . . . ?
C41 C42 C43 C38 0.3(12) . . . . ?
C49 C44 C45 C46 -1.5(11) . . . . ?
P4 C44 C45 C46 176.2(6) . . . . ?
C44 C45 C46 C47 1.4(12) . . . . ?
C45 C46 C47 C48 0.2(12) . . . . ?
C46 C47 C48 C49 -1.8(13) . . . . ?
C47 C48 C49 C44 1.7(11) . . . . ?
C45 C44 C49 C48 -0.1(11) . . . . ?
P4 C44 C49 C48 -177.6(5) . . . . ?
C55 C50 C51 C52 -2.3(13) . . . . ?
P4 C50 C51 C52 165.2(7) . . . . ?
C50 C51 C52 C53 1.0(15) . . . . ?
C51 C52 C53 C54 1.5(16) . . . . ?
C52 C53 C54 C55 -2.5(15) . . . . ?
C53 C54 C55 C50 1.1(14) . . . . ?
C51 C50 C55 C54 1.3(13) . . . . ?
P4 C50 C55 C54 -166.9(7) . . . . ?
C61 C56 C57 C58 -1.3(10) . . . . ?
N2 C56 C57 C58 -179.8(6) . . . . ?
C56 C57 C58 C59 -0.1(11) . . . . ?
C57 C58 C59 C60 1.1(11) . . . . ?
C57 C58 C59 S2 -175.9(6) . . . . ?
C58 C59 C60 C61 -0.7(11) . . . . ?
S2 C59 C60 C61 176.5(6) . . . . ?
C59 C60 C61 C56 -0.6(11) . . . . ?
C57 C56 C61 C60 1.7(10) . . . . ?
N2 C56 C61 C60 -179.8(6) . . . . ?
C30 C25 N1 P2 113.4(6) . . . . ?
C26 C25 N1 P2 -69.7(8) . . . . ?
C30 C25 N1 P1 -70.8(8) . . . . ?
C26 C25 N1 P1 106.2(6) . . . . ?
C57 C56 N2 P3 -109.4(6) . . . . ?
C61 C56 N2 P3 72.1(8) . . . . ?
C57 C56 N2 P4 73.6(8) . . . . ?
C61 C56 N2 P4 -104.9(6) . . . . ?
C25 N1 P1 C1 -42.8(6) . . . . ?
P2 N1 P1 C1 133.6(3) . . . . ?
C25 N1 P1 C7 70.0(5) . . . . ?
P2 N1 P1 C7 -113.6(3) . . . . ?
C25 N1 P1 Ag1 -173.8(5) . . . . ?
P2 N1 P1 Ag1 2.6(2) . . . . ?
C6 C1 P1 N1 -126.8(6) . . . . ?
C2 C1 P1 N1 54.5(7) . . . . ?
C6 C1 P1 C7 118.1(6) . . . . ?
C2 C1 P1 C7 -60.5(7) . . . . ?
C6 C1 P1 Ag1 -21.5(7) . . . . ?
C2 C1 P1 Ag1 159.9(5) . . . . ?
C8 C7 P1 N1 44.8(8) . . . . ?
C12 C7 P1 N1 -148.2(6) . . . . ?
C8 C7 P1 C1 160.1(7) . . . . ?
C12 C7 P1 C1 -32.9(7) . . . . ?
C8 C7 P1 Ag1 -53.9(7) . . . . ?
C12 C7 P1 Ag1 113.2(6) . . . . ?
C25 N1 P2 C19 -59.4(6) . . . . ?
P1 N1 P2 C19 124.2(3) . . . . ?
C25 N1 P2 C13 51.6(6) . . . . ?
P1 N1 P2 C13 -124.8(3) . . . . ?
C25 N1 P2 Ag1 173.7(5) . . . . ?
P1 N1 P2 Ag1 -2.6(2) . . . . ?
C20 C19 P2 N1 46.6(7) . . . . ?
C24 C19 P2 N1 -140.1(6) . . . . ?
C20 C19 P2 C13 -68.4(7) . . . . ?
C24 C19 P2 C13 104.8(6) . . . . ?
C20 C19 P2 Ag1 152.2(6) . . . . ?
C24 C19 P2 Ag1 -34.6(7) . . . . ?
C18 C13 P2 N1 70.4(7) . . . . ?
C14 C13 P2 N1 -121.7(6) . . . . ?
C18 C13 P2 C19 -174.3(6) . . . . ?
C14 C13 P2 C19 -6.3(7) . . . . ?
C18 C13 P2 Ag1 -32.7(7) . . . . ?
C14 C13 P2 Ag1 135.2(6) . . . . ?
C56 N2 P3 C32 -57.5(6) . . . . ?
P4 N2 P3 C32 119.8(3) . . . . ?
C56 N2 P3 C38 53.1(6) . . . . ?
P4 N2 P3 C38 -129.6(4) . . . . ?
C56 N2 P3 Ag1 -175.5(5) . . . . ?
P4 N2 P3 Ag1 1.9(3) . . . . ?
C33 C32 P3 N2 -58.8(8) . . . . ?
C37 C32 P3 N2 134.4(7) . . . . ?
C33 C32 P3 C38 -173.4(7) . . . . ?
C37 C32 P3 C38 19.8(8) . . . . ?
C33 C32 P3 Ag1 42.2(7) . . . . ?
C37 C32 P3 Ag1 -124.7(7) . . . . ?
C43 C38 P3 N2 136.9(6) . . . . ?
C39 C38 P3 N2 -46.9(7) . . . . ?
C43 C38 P3 C32 -107.8(6) . . . . ?
C39 C38 P3 C32 68.4(7) . . . . ?
C43 C38 P3 Ag1 30.2(7) . . . . ?
C39 C38 P3 Ag1 -153.6(5) . . . . ?
C56 N2 P4 C44 47.3(6) . . . . ?
P3 N2 P4 C44 -130.1(3) . . . . ?
C56 N2 P4 C50 -64.8(6) . . . . ?
P3 N2 P4 C50 117.8(4) . . . . ?
C56 N2 P4 Ag1 175.5(5) . . . . ?
P3 N2 P4 Ag1 -1.9(3) . . . . ?
C45 C44 P4 N2 123.4(6) . . . . ?
C49 C44 P4 N2 -59.1(7) . . . . ?
C45 C44 P4 C50 -121.7(6) . . . . ?
C49 C44 P4 C50 55.8(7) . . . . ?
C45 C44 P4 Ag1 19.0(7) . . . . ?
C49 C44 P4 Ag1 -163.5(5) . . . . ?
C51 C50 P4 N2 138.5(7) . . . . ?
C55 C50 P4 N2 -53.8(7) . . . . ?
C51 C50 P4 C44 23.6(8) . . . . ?
C55 C50 P4 C44 -168.8(6) . . . . ?
C51 C50 P4 Ag1 -120.9(7) . . . . ?
C55 C50 P4 Ag1 46.7(7) . . . . ?
C29 C28 S1 C31 10.3(8) . . . . ?
C27 C28 S1 C31 -171.3(6) . . . . ?
C58 C59 S2 C62 -11.0(7) . . . . ?
C60 C59 S2 C62 171.9(6) . . . . ?
N1 P2 Ag1 P3 -128.72(18) . . . . ?
C19 P2 Ag1 P3 116.9(3) . . . . ?
C13 P2 Ag1 P3 -16.1(3) . . . . ?
N1 P2 Ag1 P4 124.57(18) . . . . ?
C19 P2 Ag1 P4 10.2(3) . . . . ?
C13 P2 Ag1 P4 -122.8(3) . . . . ?
N1 P2 Ag1 P1 1.81(16) . . . . ?
C19 P2 Ag1 P1 -112.6(3) . . . . ?
C13 P2 Ag1 P1 114.4(3) . . . . ?
N2 P3 Ag1 P2 -132.15(19) . . . . ?
C32 P3 Ag1 P2 115.8(3) . . . . ?
C38 P3 Ag1 P2 -17.6(4) . . . . ?
N2 P3 Ag1 P4 -1.31(18) . . . . ?
C32 P3 Ag1 P4 -113.4(3) . . . . ?
C38 P3 Ag1 P4 113.2(3) . . . . ?
N2 P3 Ag1 P1 121.32(19) . . . . ?
C32 P3 Ag1 P1 9.3(3) . . . . ?
C38 P3 Ag1 P1 -124.1(3) . . . . ?
N2 P4 Ag1 P2 138.24(19) . . . . ?
C44 P4 Ag1 P2 -108.6(3) . . . . ?
C50 P4 Ag1 P2 27.3(3) . . . . ?
N2 P4 Ag1 P3 1.30(18) . . . . ?
C44 P4 Ag1 P3 114.4(3) . . . . ?
C50 P4 Ag1 P3 -109.6(3) . . . . ?
N2 P4 Ag1 P1 -126.46(19) . . . . ?
C44 P4 Ag1 P1 -13.3(3) . . . . ?
C50 P4 Ag1 P1 122.6(3) . . . . ?
N1 P1 Ag1 P2 -1.80(16) . . . . ?
C1 P1 Ag1 P2 -115.6(3) . . . . ?
C7 P1 Ag1 P2 108.0(3) . . . . ?
N1 P1 Ag1 P3 135.13(17) . . . . ?
C1 P1 Ag1 P3 21.3(3) . . . . ?
C7 P1 Ag1 P3 -115.0(3) . . . . ?
N1 P1 Ag1 P4 -129.99(17) . . . . ?
C1 P1 Ag1 P4 116.2(3) . . . . ?
C7 P1 Ag1 P4 -20.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.853
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.180
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_3b
_database_code_depnum_ccdc_archive 'CCDC 1497152'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT232_shelxl              
;
PROBLEM: Hirshfeld Test Diff (M-X)  Ag1    --  S1_b    ..       13.8 su   
RESPONSE: The phenyl ring where the S-CH3 is attached is slighly moving (ellipsoids of the non quaternaty carbon atoms are slighly larger), then this motion is transmitted in part to the S-CH3 which is itself disordered.
;
_vrf_PLAT241_shelxl              
;
PROBLEM: Check High      Ueq as Compared to Neighbors for         F1      
RESPONSE: This BF4 groups is vibrating consequently due to the fact that
data were collected a 298 K instead of 173 K due to extensive shattering
of the crystals at low temperature. 
;
# end Validation Reply Form

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H54 Ag2 B F4 N2 P4 S2, B F4'
_chemical_formula_sum            'C62 H54 Ag2 B2 F8 N2 P4 S2'
_chemical_properties_physical    Temperature-sensitive
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane - pentane'
_chemical_melting_point          ?

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless

_diffrn_ambient_temperature      298(2)
_chemical_formula_weight         1404.43

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_symmetry_int_tables_number      60
_chemical_absolute_configuration ?

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

_cell_length_a                   17.893(5)
_cell_length_b                   19.791(5)
_cell_length_c                   17.617(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6239(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    28537
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2832
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5580
_exptl_absorpt_correction_T_max  0.7929
_exptl_absorpt_process_details   
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;

_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            55530
_diffrn_reflns_av_R_equivalents  0.1010
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.10
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6092
_reflns_number_gt                4023
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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. As mentioned in the alert B  report, the data were collected a 298 K. Surprisingly, the crystal   shattered at 173 K, even by trying to cool it down smoothly. Both BF4    anions are disordered. The one not bound to silver is extremely disordered
 around a symetry element. Some redisual electronic density was found at a   special position, and rendered the modeling and refining trickier.     Overly attempting to split further the F atoms was unsuccessful while     refinig with anisotropic paramaters. 
;

_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)+(0.0621P)²+12.4677P] 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         6092
_refine_ls_number_parameters     369
_refine_ls_number_restraints     327
_refine_ls_R_factor_all          0.1121
_refine_ls_R_factor_gt           0.0665
_refine_ls_wR_factor_ref         0.1574
_refine_ls_wR_factor_gt          0.1414
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_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 0.43783(3) 0.79726(2) 0.30329(3) 0.05595(19) Uani 1 1 d U . .
C1 C 0.5118(3) 0.7956(3) 0.4959(3) 0.0568(14) Uani 1 1 d U . .
C2 C 0.5310(4) 0.7638(4) 0.5633(4) 0.0697(17) Uani 1 1 d U . .
H2 H 0.5406 0.7176 0.5641 0.084 Uiso 1 1 calc R . .
C3 C 0.5357(4) 0.8023(4) 0.6301(4) 0.084(2) Uani 1 1 d U . .
H3 H 0.5497 0.7816 0.6754 0.101 Uiso 1 1 calc R . .
C4 C 0.5200(4) 0.8689(5) 0.6293(5) 0.088(2) Uani 1 1 d U . .
H4 H 0.5223 0.8938 0.6740 0.105 Uiso 1 1 calc R . .
C5 C 0.5010(4) 0.9000(4) 0.5632(5) 0.085(2) Uani 1 1 d U . .
H5 H 0.4910 0.9461 0.5633 0.102 Uiso 1 1 calc R . .
C6 C 0.4962(4) 0.8645(3) 0.4959(4) 0.0676(16) Uani 1 1 d U . .
H6 H 0.4827 0.8863 0.4512 0.081 Uiso 1 1 calc R . .
C7 C 0.4851(3) 0.6665(3) 0.4183(3) 0.0552(13) Uani 1 1 d U . .
C8 C 0.4367(4) 0.6481(4) 0.4760(5) 0.089(2) Uani 1 1 d U . .
H8 H 0.4225 0.6794 0.5127 0.106 Uiso 1 1 calc R . .
C9 C 0.4097(6) 0.5821(5) 0.4783(6) 0.116(3) Uani 1 1 d U . .
H9 H 0.3766 0.5694 0.5164 0.139 Uiso 1 1 calc R . .
C10 C 0.4310(5) 0.5364(5) 0.4257(6) 0.111(3) Uani 1 1 d U . .
H10 H 0.4140 0.4921 0.4292 0.133 Uiso 1 1 calc R . .
C11 C 0.4769(4) 0.5542(4) 0.3679(5) 0.088(2) Uani 1 1 d U . .
H11 H 0.4905 0.5227 0.3312 0.105 Uiso 1 1 calc R . .
C12 C 0.5030(4) 0.6195(3) 0.3643(4) 0.0651(16) Uani 1 1 d U . .
H12 H 0.5337 0.6320 0.3241 0.078 Uiso 1 1 calc R . .
C13 C 0.6595(3) 0.7211(3) 0.4424(3) 0.0475(12) Uani 1 1 d U . .
C14 C 0.6977(3) 0.7628(3) 0.4920(3) 0.0593(15) Uani 1 1 d U . .
H14 H 0.6909 0.8093 0.4898 0.071 Uiso 1 1 calc R . .
C15 C 0.6696(3) 0.6522(3) 0.4470(3) 0.0556(14) Uani 1 1 d U . .
H15 H 0.6440 0.6238 0.4139 0.067 Uiso 1 1 calc R . .
C16 C 0.7454(4) 0.7356(3) 0.5442(3) 0.0659(16) Uani 1 1 d U . .
H16 H 0.7712 0.7640 0.5770 0.079 Uiso 1 1 calc R . .
C17 C 0.7559(3) 0.6666(3) 0.5489(3) 0.0576(14) Uani 1 1 d U A .
C18 C 0.7174(3) 0.6252(3) 0.5003(3) 0.0601(15) Uani 1 1 d U . .
H18 H 0.7236 0.5786 0.5033 0.072 Uiso 1 1 calc R . .
C19 C 0.7022(3) 0.8522(3) 0.3280(3) 0.0557(14) Uani 1 1 d U . .
C20 C 0.7730(4) 0.8646(4) 0.3011(4) 0.0777(18) Uani 1 1 d U . .
H20 H 0.7973 0.8319 0.2723 0.093 Uiso 1 1 calc R . .
C21 C 0.8089(5) 0.9254(4) 0.3165(5) 0.097(2) Uani 1 1 d U . .
H21 H 0.8571 0.9330 0.2989 0.116 Uiso 1 1 calc R . .
C22 C 0.7727(5) 0.9736(4) 0.3576(5) 0.096(2) Uani 1 1 d U . .
H22 H 0.7965 1.0145 0.3676 0.116 Uiso 1 1 calc R . .
C23 C 0.7023(5) 0.9629(3) 0.3842(5) 0.091(2) Uani 1 1 d U . .
H23 H 0.6780 0.9961 0.4124 0.109 Uiso 1 1 calc R . .
C24 C 0.6670(4) 0.9021(3) 0.3690(4) 0.0718(17) Uani 1 1 d U . .
H24 H 0.6188 0.8949 0.3868 0.086 Uiso 1 1 calc R . .
C25 C 0.7128(3) 0.7122(3) 0.2758(3) 0.0503(13) Uani 1 1 d U . .
C26 C 0.7815(3) 0.7025(4) 0.3108(4) 0.0705(17) Uani 1 1 d U . .
H26 H 0.7981 0.7327 0.3475 0.085 Uiso 1 1 calc R . .
C27 C 0.8255(4) 0.6475(4) 0.2908(4) 0.082(2) Uani 1 1 d U . .
H27 H 0.8712 0.6405 0.3148 0.099 Uiso 1 1 calc R . .
C28 C 0.8018(4) 0.6034(4) 0.2358(5) 0.092(2) Uani 1 1 d U . .
H28 H 0.8320 0.5674 0.2215 0.110 Uiso 1 1 calc R . .
C29 C 0.7340(4) 0.6125(4) 0.2022(5) 0.083(2) Uani 1 1 d U . .
H29 H 0.7176 0.5819 0.1656 0.100 Uiso 1 1 calc R . .
C30 C 0.6896(3) 0.6663(3) 0.2217(4) 0.0587(14) Uani 1 1 d U . .
H30 H 0.6434 0.6718 0.1983 0.070 Uiso 1 1 calc R . .
C31A C 0.8304(17) 0.5503(8) 0.5938(16) 0.111(5) Uani 0.44(2) 1 d PDU A 1
H31A H 0.8635 0.5294 0.6297 0.167 Uiso 0.44(2) 1 calc PR A 1
H31B H 0.8518 0.5478 0.5439 0.167 Uiso 0.44(2) 1 calc PR A 1
H31C H 0.7831 0.5273 0.5942 0.167 Uiso 0.44(2) 1 calc PR A 1
C31B C 0.7949(13) 0.5535(7) 0.6342(14) 0.111(5) Uani 0.56(2) 1 d PDU A 2
H31D H 0.8275 0.5351 0.6722 0.167 Uiso 0.56(2) 1 calc PR A 2
H31E H 0.8007 0.5286 0.5878 0.167 Uiso 0.56(2) 1 calc PR A 2
H31F H 0.7440 0.5503 0.6512 0.167 Uiso 0.56(2) 1 calc PR A 2
N1 N 0.6089(2) 0.7484(2) 0.3851(2) 0.0443(10) Uani 1 1 d U . .
P1 P 0.51558(8) 0.75366(7) 0.40445(8) 0.0462(4) Uani 1 1 d U . .
P2 P 0.64723(8) 0.77807(7) 0.30230(8) 0.0452(4) Uani 1 1 d U . .
S1 S 0.81688(12) 0.63580(13) 0.61893(13) 0.1037(8) Uani 1 1 d DU . .
B1 B 0.5000 0.9654(5) 0.2500 0.065(3) Uani 1 2 d SU . .
F1 F 0.4828(3) 0.9232(2) 0.3100(3) 0.1068(11) Uani 1 1 d U . .
F2 F 0.4414(3) 1.0037(2) 0.2325(3) 0.1068(11) Uani 1 1 d U . .
F4 F 0.5532(5) 0.6771(4) 0.7752(9) 0.285(6) Uani 1 1 d DU . .
B2 B 0.5000 0.6429(8) 0.7500 0.279(9) Uani 1 2 d SDU . .
F3 F 0.5183(13) 0.5943(6) 0.7102(10) 0.383(9) Uani 1 1 d DU . .


_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 2.4199(15) . ?
Ag1 P2 2.4333(15) 4_655 ?
Ag1 S1 2.884(2) 3_466 ?
Ag1 Ag1 2.9112(12) 4_655 ?
C1 C2 1.387(9) . ?
C1 C6 1.391(8) . ?
C1 P1 1.814(6) . ?
C2 C3 1.406(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.349(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.360(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.369(9) . ?
C7 C8 1.383(9) . ?
C7 P1 1.826(6) . ?
C8 C9 1.395(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.349(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.354(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.376(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C15 1.378(8) . ?
C13 C14 1.383(7) . ?
C13 N1 1.459(6) . ?
C14 C16 1.364(8) . ?
C14 H14 0.9300 . ?
C15 C18 1.379(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.382(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.370(8) . ?
C17 S1 1.756(6) . ?
C18 H18 0.9300 . ?
C19 C24 1.375(9) . ?
C19 C20 1.375(9) . ?
C19 P2 1.824(6) . ?
C20 C21 1.389(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.362(11) . ?
C21 H21 0.9300 . ?
C22 C23 1.362(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.384(9) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C30 1.381(8) . ?
C25 C26 1.390(8) . ?
C25 P2 1.815(6) . ?
C26 C27 1.388(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.371(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.362(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.372(8) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31A S1 1.765(15) . ?
C31A H31A 0.9600 . ?
C31A H31B 0.9600 . ?
C31A H31C 0.9600 . ?
C31B S1 1.697(12) . ?
C31B H31D 0.9600 . ?
C31B H31E 0.9600 . ?
C31B H31F 0.9600 . ?
N1 P1 1.708(4) . ?
N1 P2 1.715(4) . ?
P2 Ag1 2.4333(15) 4_655 ?
S1 Ag1 2.884(2) 3_566 ?
B1 F2 1.329(7) 4_655 ?
B1 F2 1.329(7) . ?
B1 F1 1.382(7) . ?
B1 F1 1.382(7) 4_655 ?
F4 B2 1.249(9) . ?
B2 F3 1.234(12) . ?
B2 F3 1.234(12) 4_656 ?
B2 F4 1.249(9) 4_656 ?
F3 F3 1.55(4) 4_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 P2 150.10(5) . 4_655 ?
P1 Ag1 S1 104.20(6) . 3_466 ?
P2 Ag1 S1 88.03(7) 4_655 3_466 ?
P1 Ag1 Ag1 92.04(4) . 4_655 ?
P2 Ag1 Ag1 89.14(5) 4_655 4_655 ?
S1 Ag1 Ag1 151.64(4) 3_466 4_655 ?
C2 C1 C6 119.7(6) . . ?
C2 C1 P1 122.8(5) . . ?
C6 C1 P1 117.1(5) . . ?
C1 C2 C3 119.0(7) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 120.5(8) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.3(7) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 121.4(7) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C1 119.1(7) . . ?
C5 C6 H6 120.5 . . ?
C1 C6 H6 120.5 . . ?
C12 C7 C8 118.6(6) . . ?
C12 C7 P1 118.7(5) . . ?
C8 C7 P1 122.2(6) . . ?
C7 C8 C9 119.0(8) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 120.7(9) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 120.8(8) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C10 C11 C12 119.0(8) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
C7 C12 C11 121.8(7) . . ?
C7 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C15 C13 C14 119.2(5) . . ?
C15 C13 N1 119.2(5) . . ?
C14 C13 N1 121.6(5) . . ?
C16 C14 C13 120.0(6) . . ?
C16 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C15 C18 120.3(5) . . ?
C13 C15 H15 119.8 . . ?
C18 C15 H15 119.8 . . ?
C14 C16 C17 121.1(5) . . ?
C14 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 119.0(5) . . ?
C18 C17 S1 123.0(5) . . ?
C16 C17 S1 118.0(5) . . ?
C17 C18 C15 120.4(6) . . ?
C17 C18 H18 119.8 . . ?
C15 C18 H18 119.8 . . ?
C24 C19 C20 118.3(6) . . ?
C24 C19 P2 117.5(5) . . ?
C20 C19 P2 123.7(5) . . ?
C19 C20 C21 120.9(7) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 119.4(8) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 120.9(7) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C24 119.4(8) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C19 C24 C23 121.1(7) . . ?
C19 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C30 C25 C26 118.7(6) . . ?
C30 C25 P2 117.2(4) . . ?
C26 C25 P2 123.9(5) . . ?
C27 C26 C25 119.9(7) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.1(7) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 C27 120.0(7) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.6(7) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 120.7(6) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
S1 C31A H31A 109.5 . . ?
S1 C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
S1 C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
S1 C31B H31D 109.5 . . ?
S1 C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
S1 C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C13 N1 P1 119.4(3) . . ?
C13 N1 P2 117.9(3) . . ?
P1 N1 P2 122.6(2) . . ?
N1 P1 C1 104.0(2) . . ?
N1 P1 C7 105.1(2) . . ?
C1 P1 C7 107.6(3) . . ?
N1 P1 Ag1 115.91(15) . . ?
C1 P1 Ag1 118.0(2) . . ?
C7 P1 Ag1 105.31(19) . . ?
N1 P2 C25 103.4(2) . . ?
N1 P2 C19 106.3(3) . . ?
C25 P2 C19 107.0(3) . . ?
N1 P2 Ag1 116.99(15) . 4_655 ?
C25 P2 Ag1 108.6(2) . 4_655 ?
C19 P2 Ag1 113.67(19) . 4_655 ?
C31B S1 C17 107.5(6) . . ?
C31B S1 C31A 32.0(8) . . ?
C17 S1 C31A 104.0(7) . . ?
C31B S1 Ag1 122.7(6) . 3_566 ?
C17 S1 Ag1 129.9(2) . 3_566 ?
C31A S1 Ag1 117.2(8) . 3_566 ?
F2 B1 F2 110.6(8) 4_655 . ?
F2 B1 F1 110.0(3) 4_655 . ?
F2 B1 F1 110.2(3) . . ?
F2 B1 F1 110.2(3) 4_655 4_655 ?
F2 B1 F1 110.0(3) . 4_655 ?
F1 B1 F1 105.6(7) . 4_655 ?
F3 B2 F3 77.6(19) . 4_656 ?
F3 B2 F4 115.0(12) . . ?
F3 B2 F4 114.9(13) 4_656 . ?
F3 B2 F4 114.9(13) . 4_656 ?
F3 B2 F4 115.0(12) 4_656 4_656 ?
F4 B2 F4 114.4(14) . 4_656 ?
B2 F3 F3 51.2(9) . 4_656 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -1.2(10) . . . . ?
P1 C1 C2 C3 171.9(5) . . . . ?
C1 C2 C3 C4 1.5(11) . . . . ?
C2 C3 C4 C5 -1.4(12) . . . . ?
C3 C4 C5 C6 0.9(12) . . . . ?
C4 C5 C6 C1 -0.5(11) . . . . ?
C2 C1 C6 C5 0.7(10) . . . . ?
P1 C1 C6 C5 -172.8(5) . . . . ?
C12 C7 C8 C9 1.8(11) . . . . ?
P1 C7 C8 C9 173.2(6) . . . . ?
C7 C8 C9 C10 0.9(14) . . . . ?
C8 C9 C10 C11 -2.6(16) . . . . ?
C9 C10 C11 C12 1.5(14) . . . . ?
C8 C7 C12 C11 -2.9(10) . . . . ?
P1 C7 C12 C11 -174.6(5) . . . . ?
C10 C11 C12 C7 1.3(11) . . . . ?
C15 C13 C14 C16 0.7(9) . . . . ?
N1 C13 C14 C16 -179.1(5) . . . . ?
C14 C13 C15 C18 -0.2(9) . . . . ?
N1 C13 C15 C18 179.6(5) . . . . ?
C13 C14 C16 C17 -0.6(10) . . . . ?
C14 C16 C17 C18 -0.1(10) . . . . ?
C14 C16 C17 S1 -178.8(5) . . . . ?
C16 C17 C18 C15 0.7(9) . . . . ?
S1 C17 C18 C15 179.3(5) . . . . ?
C13 C15 C18 C17 -0.5(9) . . . . ?
C24 C19 C20 C21 1.5(10) . . . . ?
P2 C19 C20 C21 173.2(6) . . . . ?
C19 C20 C21 C22 -1.1(12) . . . . ?
C20 C21 C22 C23 0.5(13) . . . . ?
C21 C22 C23 C24 -0.2(13) . . . . ?
C20 C19 C24 C23 -1.2(10) . . . . ?
P2 C19 C24 C23 -173.4(6) . . . . ?
C22 C23 C24 C19 0.5(12) . . . . ?
C30 C25 C26 C27 0.4(10) . . . . ?
P2 C25 C26 C27 174.9(5) . . . . ?
C25 C26 C27 C28 1.0(11) . . . . ?
C26 C27 C28 C29 -1.8(13) . . . . ?
C27 C28 C29 C30 1.3(13) . . . . ?
C28 C29 C30 C25 0.0(11) . . . . ?
C26 C25 C30 C29 -0.9(10) . . . . ?
P2 C25 C30 C29 -175.7(5) . . . . ?
C15 C13 N1 P1 85.3(6) . . . . ?
C14 C13 N1 P1 -94.9(6) . . . . ?
C15 C13 N1 P2 -98.1(6) . . . . ?
C14 C13 N1 P2 81.7(6) . . . . ?
C13 N1 P1 C1 50.3(4) . . . . ?
P2 N1 P1 C1 -126.2(3) . . . . ?
C13 N1 P1 C7 -62.7(4) . . . . ?
P2 N1 P1 C7 120.8(3) . . . . ?
C13 N1 P1 Ag1 -178.5(3) . . . . ?
P2 N1 P1 Ag1 5.0(3) . . . . ?
C2 C1 P1 N1 -73.6(6) . . . . ?
C6 C1 P1 N1 99.7(5) . . . . ?
C2 C1 P1 C7 37.6(6) . . . . ?
C6 C1 P1 C7 -149.1(5) . . . . ?
C2 C1 P1 Ag1 156.5(5) . . . . ?
C6 C1 P1 Ag1 -30.3(6) . . . . ?
C12 C7 P1 N1 -50.9(5) . . . . ?
C8 C7 P1 N1 137.7(5) . . . . ?
C12 C7 P1 C1 -161.3(5) . . . . ?
C8 C7 P1 C1 27.3(6) . . . . ?
C12 C7 P1 Ag1 72.0(5) . . . . ?
C8 C7 P1 Ag1 -99.4(6) . . . . ?
P2 Ag1 P1 N1 99.08(19) 4_655 . . . ?
S1 Ag1 P1 N1 -149.28(18) 3_466 . . . ?
Ag1 Ag1 P1 N1 7.26(17) 4_655 . . . ?
P2 Ag1 P1 C1 -136.7(2) 4_655 . . . ?
S1 Ag1 P1 C1 -25.0(2) 3_466 . . . ?
Ag1 Ag1 P1 C1 131.5(2) 4_655 . . . ?
P2 Ag1 P1 C7 -16.6(2) 4_655 . . . ?
S1 Ag1 P1 C7 95.0(2) 3_466 . . . ?
Ag1 Ag1 P1 C7 -108.4(2) 4_655 . . . ?
C13 N1 P2 C25 46.1(4) . . . . ?
P1 N1 P2 C25 -137.4(3) . . . . ?
C13 N1 P2 C19 -66.5(4) . . . . ?
P1 N1 P2 C19 110.1(3) . . . . ?
C13 N1 P2 Ag1 165.4(3) . . . 4_655 ?
P1 N1 P2 Ag1 -18.0(3) . . . 4_655 ?
C30 C25 P2 N1 99.0(5) . . . . ?
C26 C25 P2 N1 -75.6(6) . . . . ?
C30 C25 P2 C19 -149.1(5) . . . . ?
C26 C25 P2 C19 36.4(6) . . . . ?
C30 C25 P2 Ag1 -25.9(5) . . . 4_655 ?
C26 C25 P2 Ag1 159.5(5) . . . 4_655 ?
C24 C19 P2 N1 -53.0(6) . . . . ?
C20 C19 P2 N1 135.2(6) . . . . ?
C24 C19 P2 C25 -163.0(5) . . . . ?
C20 C19 P2 C25 25.2(6) . . . . ?
C24 C19 P2 Ag1 77.1(5) . . . 4_655 ?
C20 C19 P2 Ag1 -94.7(6) . . . 4_655 ?
C18 C17 S1 C31B -19.6(12) . . . . ?
C16 C17 S1 C31B 159.0(12) . . . . ?
C18 C17 S1 C31A 13.4(13) . . . . ?
C16 C17 S1 C31A -167.9(12) . . . . ?
C18 C17 S1 Ag1 158.6(4) . . . 3_566 ?
C16 C17 S1 Ag1 -22.8(7) . . . 3_566 ?
F4 B2 F3 F3 112.0(16) . . . 4_656 ?
F4 B2 F3 F3 -112.0(15) 4_656 . . 4_656 ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.078

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_4a
_database_code_depnum_ccdc_archive 'CCDC 1497155'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H75 Ag3 Cl2 N3 P6, B F4, 3(C H2 Cl2)'
_chemical_formula_sum            'C93 H81 Ag3 B Cl8 F4 N3 P6'
_chemical_formula_weight         2120.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_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                   22.5824(7)
_cell_length_b                   23.1008(7)
_cell_length_c                   21.1189(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.2390(10)
_cell_angle_gamma                90.00
_cell_volume                     9881.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9597
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      30.91

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4272
_exptl_absorpt_coefficient_mu    0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7016
_exptl_absorpt_correction_T_max  0.7629
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            126093
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.41
_diffrn_reflns_theta_max         31.04
_reflns_number_total             31563
_reflns_number_gt                20945
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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., SQUEEZE
;

_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)+(0.0720P)²+8.2424P] 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         31563
_refine_ls_number_parameters     1063
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_ref         0.1464
_refine_ls_wR_factor_gt          0.1305
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_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
C1 C 0.21957(16) 0.01896(14) 0.45910(18) 0.0273(7) Uani 1 1 d . . .
C2 C 0.2102(2) -0.04073(15) 0.4604(2) 0.0378(8) Uani 1 1 d . . .
H2 H 0.1802 -0.0603 0.4192 0.045 Uiso 1 1 calc R . .
C3 C 0.2454(3) -0.07120(19) 0.5229(3) 0.0532(12) Uani 1 1 d . . .
H3 H 0.2392 -0.1118 0.5241 0.064 Uiso 1 1 calc R . .
C4 C 0.2892(2) -0.0430(2) 0.5829(2) 0.0508(11) Uani 1 1 d . . .
H4 H 0.3123 -0.0640 0.6256 0.061 Uiso 1 1 calc R . .
C5 C 0.2992(2) 0.0157(2) 0.5811(2) 0.0426(9) Uani 1 1 d . . .
H5 H 0.3298 0.0349 0.6224 0.051 Uiso 1 1 calc R . .
C6 C 0.26495(17) 0.04717(16) 0.51921(19) 0.0324(7) Uani 1 1 d . . .
H6 H 0.2725 0.0875 0.5181 0.039 Uiso 1 1 calc R . .
C7 C 0.14735(16) 0.01768(14) 0.30689(17) 0.0264(6) Uani 1 1 d . . .
C8 C 0.08793(18) 0.02612(16) 0.24753(19) 0.0331(7) Uani 1 1 d . . .
H8 H 0.0567 0.0530 0.2491 0.040 Uiso 1 1 calc R . .
C9 C 0.0737(2) -0.00446(19) 0.1858(2) 0.0422(9) Uani 1 1 d . . .
H9 H 0.0327 0.0012 0.1454 0.051 Uiso 1 1 calc R . .
C10 C 0.1196(2) -0.04330(18) 0.1830(2) 0.0460(10) Uani 1 1 d . . .
H10 H 0.1100 -0.0642 0.1408 0.055 Uiso 1 1 calc R . .
C11 C 0.1789(2) -0.05143(18) 0.2413(2) 0.0443(10) Uani 1 1 d . . .
H11 H 0.2103 -0.0778 0.2393 0.053 Uiso 1 1 calc R . .
C12 C 0.19307(19) -0.02129(16) 0.3032(2) 0.0347(8) Uani 1 1 d . . .
H12 H 0.2341 -0.0272 0.3434 0.042 Uiso 1 1 calc R . .
C13 C 0.06469(18) 0.03387(14) 0.4066(2) 0.0341(8) Uani 1 1 d . . .
C14 C 0.0063(2) 0.01319(17) 0.3529(2) 0.0437(10) Uani 1 1 d . . .
H14 H -0.0105 0.0287 0.3065 0.052 Uiso 1 1 calc R . .
C15 C -0.0271(3) -0.0310(2) 0.3688(3) 0.0666(17) Uani 1 1 d . . .
H15 H -0.0684 -0.0441 0.3336 0.080 Uiso 1 1 calc R . .
C16 C -0.0010(3) -0.0557(2) 0.4346(4) 0.079(2) Uani 1 1 d . . .
H16 H -0.0233 -0.0870 0.4439 0.094 Uiso 1 1 calc R . .
C17 C 0.0570(3) -0.03563(19) 0.4870(3) 0.0657(16) Uani 1 1 d . . .
H17 H 0.0747 -0.0531 0.5324 0.079 Uiso 1 1 calc R . .
C18 C 0.0898(2) 0.01015(16) 0.4741(2) 0.0437(10) Uani 1 1 d . . .
H18 H 0.1291 0.0252 0.5109 0.052 Uiso 1 1 calc R . .
C19 C -0.00693(17) 0.15582(15) 0.3164(2) 0.0350(8) Uani 1 1 d . . .
C20 C -0.0648(2) 0.1393(2) 0.3205(3) 0.0539(12) Uani 1 1 d . . .
H20 H -0.0627 0.1214 0.3619 0.065 Uiso 1 1 calc R . .
C21 C -0.1260(2) 0.1497(3) 0.2626(5) 0.091(3) Uani 1 1 d . . .
H21 H -0.1656 0.1397 0.2652 0.109 Uiso 1 1 calc R . .
C22 C -0.1291(3) 0.1745(3) 0.2016(4) 0.105(3) Uani 1 1 d . . .
H22 H -0.1707 0.1812 0.1626 0.126 Uiso 1 1 calc R . .
C23 C -0.0731(3) 0.1891(2) 0.1975(3) 0.086(2) Uani 1 1 d . . .
H23 H -0.0758 0.2055 0.1550 0.103 Uiso 1 1 calc R . .
C24 C -0.0114(2) 0.18067(16) 0.2540(2) 0.0487(11) Uani 1 1 d . . .
H24 H 0.0275 0.1917 0.2503 0.058 Uiso 1 1 calc R . .
C25 C 0.06797(17) 0.16405(14) 0.46913(18) 0.0273(7) Uani 1 1 d . . .
C26 C 0.0159(2) 0.19422(17) 0.4722(2) 0.0367(8) Uani 1 1 d . . .
H26 H -0.0221 0.2031 0.4297 0.044 Uiso 1 1 calc R . .
C27 C 0.0188(2) 0.21157(19) 0.5364(3) 0.0494(11) Uani 1 1 d . . .
H27 H -0.0173 0.2320 0.5373 0.059 Uiso 1 1 calc R . .
C28 C 0.0734(3) 0.19944(18) 0.5990(2) 0.0502(12) Uani 1 1 d . . .
H28 H 0.0749 0.2106 0.6430 0.060 Uiso 1 1 calc R . .
C29 C 0.1257(3) 0.1708(2) 0.5963(2) 0.0499(11) Uani 1 1 d . . .
H29 H 0.1639 0.1630 0.6390 0.060 Uiso 1 1 calc R . .
C30 C 0.1240(2) 0.15277(16) 0.5321(2) 0.0372(8) Uani 1 1 d . . .
H30 H 0.1606 0.1330 0.5314 0.045 Uiso 1 1 calc R . .
C31 C 0.02794(15) 0.34109(13) 0.31818(17) 0.0236(6) Uani 1 1 d . . .
C32 C -0.02921(17) 0.32274(15) 0.32180(19) 0.0314(7) Uani 1 1 d . . .
H32 H -0.0270 0.3103 0.3657 0.038 Uiso 1 1 calc R . .
C33 C -0.08950(18) 0.32252(17) 0.2618(2) 0.0396(9) Uani 1 1 d . . .
H33 H -0.1283 0.3105 0.2650 0.047 Uiso 1 1 calc R . .
C34 C -0.0930(2) 0.33964(18) 0.1978(2) 0.0451(10) Uani 1 1 d . . .
H34 H -0.1342 0.3394 0.1569 0.054 Uiso 1 1 calc R . .
C35 C -0.0367(2) 0.35711(19) 0.1931(2) 0.0482(11) Uani 1 1 d . . .
H35 H -0.0391 0.3692 0.1490 0.058 Uiso 1 1 calc R . .
C36 C 0.02328(19) 0.35702(17) 0.25262(19) 0.0361(8) Uani 1 1 d . . .
H36 H 0.0621 0.3680 0.2487 0.043 Uiso 1 1 calc R . .
C37 C 0.09420(16) 0.34493(13) 0.47040(16) 0.0240(6) Uani 1 1 d . . .
C38 C 0.13507(18) 0.31605(15) 0.53183(18) 0.0308(7) Uani 1 1 d . . .
H38 H 0.1648 0.2875 0.5306 0.037 Uiso 1 1 calc R . .
C39 C 0.1330(2) 0.32840(18) 0.5951(2) 0.0430(10) Uani 1 1 d . . .
H39 H 0.1616 0.3089 0.6372 0.052 Uiso 1 1 calc R . .
C40 C 0.0892(3) 0.3690(2) 0.5965(2) 0.0512(12) Uani 1 1 d . . .
H40 H 0.0876 0.3776 0.6398 0.061 Uiso 1 1 calc R . .
C41 C 0.0474(2) 0.39764(19) 0.5356(2) 0.0481(10) Uani 1 1 d . . .
H41 H 0.0165 0.4251 0.5368 0.058 Uiso 1 1 calc R . .
C42 C 0.05062(19) 0.38614(16) 0.47240(19) 0.0341(8) Uani 1 1 d . . .
H42 H 0.0229 0.4066 0.4307 0.041 Uiso 1 1 calc R . .
C43 C 0.14182(15) 0.44635(14) 0.40563(17) 0.0240(6) Uani 1 1 d . . .
C44 C 0.10371(17) 0.48126(14) 0.34948(19) 0.0312(7) Uani 1 1 d . . .
H44 H 0.0858 0.4667 0.3026 0.037 Uiso 1 1 calc R . .
C45 C 0.09170(19) 0.53830(16) 0.3623(2) 0.0422(9) Uani 1 1 d . . .
H45 H 0.0668 0.5631 0.3237 0.051 Uiso 1 1 calc R . .
C46 C 0.1155(2) 0.55899(17) 0.4302(3) 0.0491(11) Uani 1 1 d . . .
H46 H 0.1064 0.5977 0.4384 0.059 Uiso 1 1 calc R . .
C47 C 0.1528(2) 0.52310(16) 0.4866(2) 0.0418(9) Uani 1 1 d . . .
H47 H 0.1693 0.5373 0.5335 0.050 Uiso 1 1 calc R . .
C48 C 0.16619(18) 0.46649(15) 0.47461(19) 0.0315(7) Uani 1 1 d . . .
H48 H 0.1917 0.4419 0.5131 0.038 Uiso 1 1 calc R . .
C49 C 0.23497(17) 0.42706(15) 0.32909(18) 0.0282(7) Uani 1 1 d . . .
C50 C 0.23963(19) 0.48710(16) 0.3416(2) 0.0382(8) Uani 1 1 d . . .
H50 H 0.2423 0.5019 0.3847 0.046 Uiso 1 1 calc R . .
C51 C 0.2404(2) 0.52461(18) 0.2907(3) 0.0502(11) Uani 1 1 d . . .
H51 H 0.2439 0.5651 0.2995 0.060 Uiso 1 1 calc R . .
C52 C 0.2360(2) 0.5039(2) 0.2277(3) 0.0562(12) Uani 1 1 d . . .
H52 H 0.2356 0.5301 0.1928 0.067 Uiso 1 1 calc R . .
C53 C 0.2322(3) 0.4444(2) 0.2151(2) 0.0574(12) Uani 1 1 d . . .
H53 H 0.2297 0.4299 0.1719 0.069 Uiso 1 1 calc R . .
C54 C 0.2320(2) 0.40645(18) 0.2662(2) 0.0409(9) Uani 1 1 d . . .
H54 H 0.2298 0.3659 0.2578 0.049 Uiso 1 1 calc R . .
C55 C 0.29445(16) 0.39574(15) 0.47788(17) 0.0273(6) Uani 1 1 d . . .
C56 C 0.3466(2) 0.4322(2) 0.4883(2) 0.0503(11) Uani 1 1 d . . .
H56 H 0.3486 0.4511 0.4493 0.060 Uiso 1 1 calc R . .
C57 C 0.3966(2) 0.4409(3) 0.5570(3) 0.0679(15) Uani 1 1 d . . .
H57 H 0.4319 0.4665 0.5643 0.081 Uiso 1 1 calc R . .
C58 C 0.3952(2) 0.4133(2) 0.6129(2) 0.0568(13) Uani 1 1 d . . .
H58 H 0.4293 0.4196 0.6591 0.068 Uiso 1 1 calc R . .
C59 C 0.3442(2) 0.3760(2) 0.6028(2) 0.0478(10) Uani 1 1 d . . .
H59 H 0.3432 0.3565 0.6420 0.057 Uiso 1 1 calc R . .
C60 C 0.29443(19) 0.36706(17) 0.53568(18) 0.0352(8) Uani 1 1 d . . .
H60 H 0.2597 0.3409 0.5289 0.042 Uiso 1 1 calc R . .
C61 C 0.36486(16) 0.28587(14) 0.29402(17) 0.0263(6) Uani 1 1 d . . .
C62 C 0.32035(19) 0.26009(18) 0.23095(18) 0.0357(8) Uani 1 1 d . . .
H62 H 0.2959 0.2270 0.2322 0.043 Uiso 1 1 calc R . .
C63 C 0.3118(2) 0.28262(19) 0.1669(2) 0.0436(9) Uani 1 1 d . . .
H63 H 0.2822 0.2643 0.1244 0.052 Uiso 1 1 calc R . .
C64 C 0.3454(3) 0.3311(2) 0.1640(2) 0.0535(12) Uani 1 1 d . . .
H64 H 0.3397 0.3459 0.1197 0.064 Uiso 1 1 calc R . .
C65 C 0.3871(3) 0.3580(2) 0.2247(3) 0.0629(14) Uani 1 1 d . . .
H65 H 0.4101 0.3918 0.2228 0.075 Uiso 1 1 calc R . .
C66 C 0.3961(2) 0.33592(18) 0.2906(2) 0.0482(10) Uani 1 1 d . . .
H66 H 0.4240 0.3557 0.3327 0.058 Uiso 1 1 calc R . .
C67 C 0.44105(17) 0.28319(15) 0.4476(2) 0.0338(8) Uani 1 1 d . . .
C68 C 0.5014(2) 0.2935(2) 0.4461(3) 0.0579(13) Uani 1 1 d . . .
H68 H 0.5051 0.2883 0.4033 0.069 Uiso 1 1 calc R . .
C69 C 0.5552(3) 0.3111(3) 0.5059(4) 0.097(3) Uani 1 1 d . . .
H69 H 0.5958 0.3187 0.5040 0.117 Uiso 1 1 calc R . .
C70 C 0.5511(4) 0.3177(3) 0.5678(4) 0.108(3) Uani 1 1 d . . .
H70 H 0.5890 0.3291 0.6091 0.130 Uiso 1 1 calc R . .
C71 C 0.4918(4) 0.3079(3) 0.5710(3) 0.096(3) Uani 1 1 d . . .
H71 H 0.4890 0.3131 0.6142 0.115 Uiso 1 1 calc R . .
C72 C 0.4362(2) 0.2905(2) 0.5104(2) 0.0563(13) Uani 1 1 d . . .
H72 H 0.3954 0.2837 0.5121 0.068 Uiso 1 1 calc R . .
C73 C 0.45343(16) 0.17099(14) 0.36690(18) 0.0263(6) Uani 1 1 d . . .
C74 C 0.45510(19) 0.17268(18) 0.3024(2) 0.0379(8) Uani 1 1 d . . .
H74 H 0.4157 0.1796 0.2605 0.046 Uiso 1 1 calc R . .
C75 C 0.5144(2) 0.1642(2) 0.2986(3) 0.0518(11) Uani 1 1 d . . .
H75 H 0.5155 0.1647 0.2542 0.062 Uiso 1 1 calc R . .
C76 C 0.5717(2) 0.1552(2) 0.3598(3) 0.0550(12) Uani 1 1 d . . .
H76 H 0.6126 0.1508 0.3577 0.066 Uiso 1 1 calc R . .
C77 C 0.56949(19) 0.1527(2) 0.4233(3) 0.0506(11) Uani 1 1 d . . .
H77 H 0.6088 0.1453 0.4651 0.061 Uiso 1 1 calc R . .
C78 C 0.51024(18) 0.16102(17) 0.4274(2) 0.0380(8) Uani 1 1 d . . .
H78 H 0.5091 0.1598 0.4719 0.046 Uiso 1 1 calc R . .
C79 C 0.33319(17) 0.07989(15) 0.29946(18) 0.0294(7) Uani 1 1 d . . .
C80 C 0.27159(19) 0.07985(18) 0.24028(19) 0.0364(8) Uani 1 1 d . . .
H80 H 0.2376 0.1047 0.2391 0.044 Uiso 1 1 calc R . .
C81 C 0.2597(2) 0.0438(2) 0.1833(2) 0.0493(11) Uani 1 1 d . . .
H81 H 0.2179 0.0441 0.1433 0.059 Uiso 1 1 calc R . .
C82 C 0.3088(3) 0.0079(2) 0.1851(3) 0.0599(13) Uani 1 1 d . . .
H82 H 0.3004 -0.0172 0.1464 0.072 Uiso 1 1 calc R . .
C83 C 0.3703(3) 0.0076(2) 0.2423(3) 0.0597(13) Uani 1 1 d . . .
H83 H 0.4040 -0.0173 0.2428 0.072 Uiso 1 1 calc R . .
C84 C 0.3826(2) 0.04419(18) 0.2993(2) 0.0450(10) Uani 1 1 d . . .
H84 H 0.4251 0.0447 0.3384 0.054 Uiso 1 1 calc R . .
C85 C 0.39123(17) 0.08692(16) 0.45202(19) 0.0326(8) Uani 1 1 d . . .
C86 C 0.4193(2) 0.1187(2) 0.5146(2) 0.0479(11) Uani 1 1 d . . .
H86 H 0.4174 0.1598 0.5133 0.057 Uiso 1 1 calc R . .
C87 C 0.4503(2) 0.0899(3) 0.5794(3) 0.0724(18) Uani 1 1 d . . .
H87 H 0.4695 0.1114 0.6221 0.087 Uiso 1 1 calc R . .
C88 C 0.4529(3) 0.0303(4) 0.5811(4) 0.090(3) Uani 1 1 d . . .
H88 H 0.4741 0.0108 0.6251 0.109 Uiso 1 1 calc R . .
C89 C 0.4250(3) -0.0008(3) 0.5196(4) 0.084(2) Uani 1 1 d . . .
H89 H 0.4275 -0.0418 0.5213 0.100 Uiso 1 1 calc R . .
C90 C 0.3933(2) 0.02671(19) 0.4554(3) 0.0531(12) Uani 1 1 d . . .
H90 H 0.3729 0.0045 0.4133 0.064 Uiso 1 1 calc R . .
C91 C 0.3303(5) 0.8062(3) 0.3589(5) 0.117(3) Uani 1 1 d . . .
H91A H 0.3673 0.7787 0.3822 0.140 Uiso 1 1 calc R . .
H91B H 0.3062 0.7949 0.3087 0.140 Uiso 1 1 calc R . .
C92 C 0.1955(8) 0.7365(7) 0.5764(5) 0.244(9) Uani 1 1 d . . .
H92A H 0.1986 0.7694 0.6077 0.293 Uiso 1 1 calc R . .
H92B H 0.2398 0.7187 0.5935 0.293 Uiso 1 1 calc R . .
C93 C 0.4141(5) 0.5300(6) 0.3190(5) 0.174(5) Uani 1 1 d . . .
H93A H 0.3654 0.5280 0.2918 0.209 Uiso 1 1 calc R . .
H93B H 0.4257 0.5704 0.3357 0.209 Uiso 1 1 calc R . .
N1 N 0.10110(13) 0.08023(11) 0.39251(14) 0.0242(5) Uani 1 1 d . . .
N2 N 0.15759(13) 0.38694(11) 0.39288(13) 0.0220(5) Uani 1 1 d . . .
N3 N 0.39181(12) 0.18265(11) 0.37036(14) 0.0236(5) Uani 1 1 d . . .
B1 B 0.3021(3) 0.6715(3) 0.2385(3) 0.0622(15) Uani 1 1 d . . .
F1 F 0.2561(3) 0.64440(19) 0.1819(2) 0.1312(19) Uani 1 1 d . . .
F2 F 0.3605(3) 0.6501(5) 0.2533(3) 0.271(6) Uani 1 1 d . . .
F3 F 0.2988(5) 0.7267(2) 0.2266(3) 0.217(4) Uani 1 1 d . . .
F4 F 0.29414(16) 0.66255(17) 0.29791(17) 0.0793(10) Uani 1 1 d . . .
P1 P 0.17144(4) 0.06485(3) 0.38336(4) 0.02178(15) Uani 1 1 d . . .
P2 P 0.07540(4) 0.15100(3) 0.38787(4) 0.02088(15) Uani 1 1 d . . .
P3 P 0.10793(4) 0.33075(3) 0.39310(4) 0.01906(14) Uani 1 1 d . . .
P4 P 0.23153(4) 0.37426(3) 0.39103(4) 0.02097(15) Uani 1 1 d . . .
P5 P 0.36934(4) 0.25368(3) 0.37440(4) 0.02137(15) Uani 1 1 d . . .
P6 P 0.34210(4) 0.12700(3) 0.37176(4) 0.02188(15) Uani 1 1 d . . .
Cl1 Cl 0.16620(4) 0.22113(3) 0.27010(4) 0.02585(15) Uani 1 1 d . . .
Cl2 Cl 0.26486(4) 0.21404(3) 0.48602(4) 0.02648(15) Uani 1 1 d . . .
Cl3 Cl 0.36166(18) 0.87419(13) 0.36373(17) 0.1684(12) Uani 1 1 d . . .
Cl4 Cl 0.27689(11) 0.80073(17) 0.39854(17) 0.1658(13) Uani 1 1 d . . .
Cl5 Cl 0.16928(15) 0.76093(16) 0.49053(13) 0.1534(11) Uani 1 1 d . . .
Cl6 Cl 0.1382(2) 0.68453(15) 0.57845(19) 0.1864(15) Uani 1 1 d . . .
Cl7 Cl 0.43832(12) 0.48503(15) 0.39136(13) 0.1545(12) Uani 1 1 d . . .
Cl8 Cl 0.44894(10) 0.51349(10) 0.26397(10) 0.1093(7) Uani 1 1 d . . .
Ag1 Ag 0.236101(12) 0.144713(10) 0.372042(14) 0.02584(6) Uani 1 1 d . . .
Ag2 Ag 0.142862(12) 0.232718(10) 0.385986(14) 0.02622(6) Uani 1 1 d . . .
Ag3 Ag 0.264401(12) 0.276638(10) 0.375323(14) 0.02609(6) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.391(5) . ?
C1 C2 1.397(5) . ?
C1 P1 1.824(3) . ?
C2 C3 1.392(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.387(5) . ?
C7 C12 1.398(5) . ?
C7 P1 1.820(3) . ?
C8 C9 1.391(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.373(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.390(6) . ?
C13 C18 1.393(6) . ?
C13 N1 1.458(4) . ?
C14 C15 1.396(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.371(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.367(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(6) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.399(6) . ?
C19 C20 1.401(6) . ?
C19 P2 1.807(4) . ?
C20 C21 1.403(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.349(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(6) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.393(5) . ?
C25 C30 1.395(5) . ?
C25 P2 1.822(3) . ?
C26 C27 1.388(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.376(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.403(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.391(5) . ?
C31 C32 1.392(5) . ?
C31 P3 1.815(3) . ?
C32 C33 1.390(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.377(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.379(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.383(5) . ?
C37 C38 1.386(5) . ?
C37 P3 1.821(3) . ?
C38 C39 1.388(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.374(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.382(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(5) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.377(5) . ?
C43 C48 1.390(5) . ?
C43 N2 1.472(4) . ?
C44 C45 1.396(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.375(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.389(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.390(5) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.384(5) . ?
C49 C50 1.407(5) . ?
C49 P4 1.815(3) . ?
C50 C51 1.386(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.376(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.395(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.393(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.383(5) . ?
C55 C60 1.389(5) . ?
C55 P4 1.823(3) . ?
C56 C57 1.404(6) . ?
C56 H56 0.9500 . ?
C57 C58 1.356(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.376(7) . ?
C58 H58 0.9500 . ?
C59 C60 1.381(5) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C66 1.374(5) . ?
C61 C62 1.398(5) . ?
C61 P5 1.815(3) . ?
C62 C63 1.380(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.370(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.359(7) . ?
C64 H64 0.9500 . ?
C65 C66 1.408(6) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C72 1.389(6) . ?
C67 C68 1.397(6) . ?
C67 P5 1.806(4) . ?
C68 C69 1.372(7) . ?
C68 H68 0.9500 . ?
C69 C70 1.360(11) . ?
C69 H69 0.9500 . ?
C70 C71 1.390(11) . ?
C70 H70 0.9500 . ?
C71 C72 1.399(7) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C78 1.372(5) . ?
C73 C74 1.381(5) . ?
C73 N3 1.451(4) . ?
C74 C75 1.390(5) . ?
C74 H74 0.9500 . ?
C75 C76 1.382(7) . ?
C75 H75 0.9500 . ?
C76 C77 1.365(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.392(5) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C84 1.388(5) . ?
C79 C80 1.400(5) . ?
C79 P6 1.812(3) . ?
C80 C81 1.388(5) . ?
C80 H80 0.9500 . ?
C81 C82 1.372(7) . ?
C81 H81 0.9500 . ?
C82 C83 1.379(7) . ?
C82 H82 0.9500 . ?
C83 C84 1.395(6) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C90 1.393(6) . ?
C85 C86 1.396(6) . ?
C85 P6 1.816(3) . ?
C86 C87 1.399(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.377(10) . ?
C87 H87 0.9500 . ?
C88 C89 1.370(10) . ?
C88 H88 0.9500 . ?
C89 C90 1.378(7) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 Cl3 1.707(9) . ?
C91 Cl4 1.750(9) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 Cl5 1.735(11) . ?
C92 Cl6 1.779(12) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 Cl8 1.710(9) . ?
C93 Cl7 1.725(11) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
N1 P1 1.720(3) . ?
N1 P2 1.723(3) . ?
N2 P4 1.712(3) . ?
N2 P3 1.717(3) . ?
N3 P6 1.716(3) . ?
N3 P5 1.731(3) . ?
B1 F3 1.297(8) . ?
B1 F2 1.310(8) . ?
B1 F1 1.341(7) . ?
B1 F4 1.360(7) . ?
P1 Ag1 2.4293(8) . ?
P2 Ag2 2.4372(8) . ?
P3 Ag2 2.4245(8) . ?
P4 Ag3 2.4424(8) . ?
P5 Ag3 2.4368(8) . ?
P6 Ag1 2.4310(8) . ?
Cl1 Ag3 2.6726(8) . ?
Cl1 Ag1 2.6904(8) . ?
Cl1 Ag2 2.7349(8) . ?
Cl2 Ag2 2.6631(8) . ?
Cl2 Ag1 2.7200(8) . ?
Cl2 Ag3 2.7449(8) . ?
Ag1 Ag2 3.0334(3) . ?
Ag1 Ag3 3.1083(4) . ?
Ag2 Ag3 3.0265(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 120.0(3) . . ?
C6 C1 P1 116.2(3) . . ?
C2 C1 P1 123.7(3) . . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.9(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.7(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 119.4(4) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 C12 118.9(3) . . ?
C8 C7 P1 120.5(3) . . ?
C12 C7 P1 119.8(3) . . ?
C7 C8 C9 120.4(4) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 120.0(4) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.0(4) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.3(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 120.5(4) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
C14 C13 C18 120.7(4) . . ?
C14 C13 N1 120.2(3) . . ?
C18 C13 N1 119.1(4) . . ?
C13 C14 C15 118.3(5) . . ?
C13 C14 H14 120.9 . . ?
C15 C14 H14 120.9 . . ?
C16 C15 C14 120.8(5) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C17 C16 C15 120.5(4) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 120.2(5) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 119.4(5) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C24 C19 C20 119.2(4) . . ?
C24 C19 P2 115.5(3) . . ?
C20 C19 P2 125.1(4) . . ?
C19 C20 C21 119.1(6) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 120.5(6) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 C21 120.1(5) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 121.3(7) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C19 119.6(5) . . ?
C23 C24 H24 120.2 . . ?
C19 C24 H24 120.2 . . ?
C26 C25 C30 118.5(3) . . ?
C26 C25 P2 123.9(3) . . ?
C30 C25 P2 116.4(3) . . ?
C27 C26 C25 120.9(4) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 120.8(4) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 118.6(4) . . ?
C29 C28 H28 120.7 . . ?
C27 C28 H28 120.7 . . ?
C28 C29 C30 121.7(4) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C25 C30 C29 119.5(4) . . ?
C25 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C36 C31 C32 118.1(3) . . ?
C36 C31 P3 120.7(3) . . ?
C32 C31 P3 120.1(3) . . ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 120.1(4) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.0(4) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 119.9(4) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C31 121.2(4) . . ?
C35 C36 H36 119.4 . . ?
C31 C36 H36 119.4 . . ?
C42 C37 C38 119.4(3) . . ?
C42 C37 P3 123.8(3) . . ?
C38 C37 P3 116.5(2) . . ?
C37 C38 C39 120.7(4) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C40 C39 C38 119.5(4) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 120.5(4) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C40 C41 C42 119.8(4) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 H41 120.1 . . ?
C37 C42 C41 120.0(4) . . ?
C37 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C44 C43 C48 120.9(3) . . ?
C44 C43 N2 119.9(3) . . ?
C48 C43 N2 119.2(3) . . ?
C43 C44 C45 119.2(3) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C46 C45 C44 120.7(4) . . ?
C46 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C45 C46 C47 119.7(3) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C46 C47 C48 120.3(4) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C47 C48 C43 119.2(3) . . ?
C47 C48 H48 120.4 . . ?
C43 C48 H48 120.4 . . ?
C54 C49 C50 119.1(3) . . ?
C54 C49 P4 117.4(3) . . ?
C50 C49 P4 123.4(3) . . ?
C51 C50 C49 119.8(4) . . ?
C51 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C52 C51 C50 120.8(4) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C51 C52 C53 119.9(4) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C54 C53 C52 119.6(4) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C49 C54 C53 120.8(4) . . ?
C49 C54 H54 119.6 . . ?
C53 C54 H54 119.6 . . ?
C56 C55 C60 118.8(3) . . ?
C56 C55 P4 123.7(3) . . ?
C60 C55 P4 116.8(3) . . ?
C55 C56 C57 119.4(4) . . ?
C55 C56 H56 120.3 . . ?
C57 C56 H56 120.3 . . ?
C58 C57 C56 121.0(4) . . ?
C58 C57 H57 119.5 . . ?
C56 C57 H57 119.5 . . ?
C57 C58 C59 120.0(4) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 C60 119.9(4) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C59 C60 C55 121.0(4) . . ?
C59 C60 H60 119.5 . . ?
C55 C60 H60 119.5 . . ?
C66 C61 C62 118.6(3) . . ?
C66 C61 P5 125.3(3) . . ?
C62 C61 P5 115.8(3) . . ?
C63 C62 C61 120.2(4) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C64 C63 C62 120.8(4) . . ?
C64 C63 H63 119.6 . . ?
C62 C63 H63 119.6 . . ?
C65 C64 C63 119.8(4) . . ?
C65 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C64 C65 C66 120.3(4) . . ?
C64 C65 H65 119.9 . . ?
C66 C65 H65 119.9 . . ?
C61 C66 C65 120.2(4) . . ?
C61 C66 H66 119.9 . . ?
C65 C66 H66 119.9 . . ?
C72 C67 C68 119.4(4) . . ?
C72 C67 P5 116.3(3) . . ?
C68 C67 P5 124.0(3) . . ?
C69 C68 C67 120.4(6) . . ?
C69 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?
C70 C69 C68 120.7(7) . . ?
C70 C69 H69 119.7 . . ?
C68 C69 H69 119.7 . . ?
C69 C70 C71 120.3(5) . . ?
C69 C70 H70 119.8 . . ?
C71 C70 H70 119.8 . . ?
C70 C71 C72 119.8(6) . . ?
C70 C71 H71 120.1 . . ?
C72 C71 H71 120.1 . . ?
C67 C72 C71 119.4(6) . . ?
C67 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
C78 C73 C74 120.1(3) . . ?
C78 C73 N3 120.4(3) . . ?
C74 C73 N3 119.3(3) . . ?
C73 C74 C75 120.0(4) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.0 . . ?
C76 C75 C74 119.7(4) . . ?
C76 C75 H75 120.2 . . ?
C74 C75 H75 120.2 . . ?
C77 C76 C75 119.9(4) . . ?
C77 C76 H76 120.0 . . ?
C75 C76 H76 120.0 . . ?
C76 C77 C78 120.6(4) . . ?
C76 C77 H77 119.7 . . ?
C78 C77 H77 119.7 . . ?
C73 C78 C77 119.6(4) . . ?
C73 C78 H78 120.2 . . ?
C77 C78 H78 120.2 . . ?
C84 C79 C80 118.7(3) . . ?
C84 C79 P6 124.6(3) . . ?
C80 C79 P6 116.7(3) . . ?
C81 C80 C79 120.6(4) . . ?
C81 C80 H80 119.7 . . ?
C79 C80 H80 119.7 . . ?
C82 C81 C80 119.7(4) . . ?
C82 C81 H81 120.2 . . ?
C80 C81 H81 120.2 . . ?
C81 C82 C83 121.0(4) . . ?
C81 C82 H82 119.5 . . ?
C83 C82 H82 119.5 . . ?
C82 C83 C84 119.5(4) . . ?
C82 C83 H83 120.3 . . ?
C84 C83 H83 120.3 . . ?
C79 C84 C83 120.5(4) . . ?
C79 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C90 C85 C86 119.1(4) . . ?
C90 C85 P6 123.4(3) . . ?
C86 C85 P6 116.7(3) . . ?
C85 C86 C87 119.7(5) . . ?
C85 C86 H86 120.1 . . ?
C87 C86 H86 120.1 . . ?
C88 C87 C86 119.9(6) . . ?
C88 C87 H87 120.0 . . ?
C86 C87 H87 120.0 . . ?
C89 C88 C87 120.2(5) . . ?
C89 C88 H88 119.9 . . ?
C87 C88 H88 119.9 . . ?
C88 C89 C90 120.8(6) . . ?
C88 C89 H89 119.6 . . ?
C90 C89 H89 119.6 . . ?
C89 C90 C85 120.1(6) . . ?
C89 C90 H90 119.9 . . ?
C85 C90 H90 119.9 . . ?
Cl3 C91 Cl4 113.2(5) . . ?
Cl3 C91 H91A 108.9 . . ?
Cl4 C91 H91A 108.9 . . ?
Cl3 C91 H91B 108.9 . . ?
Cl4 C91 H91B 108.9 . . ?
H91A C91 H91B 107.7 . . ?
Cl5 C92 Cl6 109.2(6) . . ?
Cl5 C92 H92A 109.8 . . ?
Cl6 C92 H92A 109.8 . . ?
Cl5 C92 H92B 109.8 . . ?
Cl6 C92 H92B 109.8 . . ?
H92A C92 H92B 108.3 . . ?
Cl8 C93 Cl7 114.0(7) . . ?
Cl8 C93 H93A 108.8 . . ?
Cl7 C93 H93A 108.8 . . ?
Cl8 C93 H93B 108.8 . . ?
Cl7 C93 H93B 108.8 . . ?
H93A C93 H93B 107.7 . . ?
C13 N1 P1 120.2(2) . . ?
C13 N1 P2 120.1(2) . . ?
P1 N1 P2 119.62(15) . . ?
C43 N2 P4 118.73(19) . . ?
C43 N2 P3 119.5(2) . . ?
P4 N2 P3 121.03(15) . . ?
C73 N3 P6 120.8(2) . . ?
C73 N3 P5 119.2(2) . . ?
P6 N3 P5 120.08(15) . . ?
F3 B1 F2 112.4(8) . . ?
F3 B1 F1 109.3(6) . . ?
F2 B1 F1 109.8(7) . . ?
F3 B1 F4 107.9(6) . . ?
F2 B1 F4 104.6(5) . . ?
F1 B1 F4 112.7(6) . . ?
N1 P1 C7 107.14(14) . . ?
N1 P1 C1 104.09(14) . . ?
C7 P1 C1 104.98(16) . . ?
N1 P1 Ag1 118.64(9) . . ?
C7 P1 Ag1 108.92(10) . . ?
C1 P1 Ag1 112.13(11) . . ?
N1 P2 C19 107.60(15) . . ?
N1 P2 C25 105.81(14) . . ?
C19 P2 C25 106.69(17) . . ?
N1 P2 Ag2 122.58(9) . . ?
C19 P2 Ag2 111.00(13) . . ?
C25 P2 Ag2 101.88(10) . . ?
N2 P3 C31 107.31(14) . . ?
N2 P3 C37 103.70(14) . . ?
C31 P3 C37 105.04(15) . . ?
N2 P3 Ag2 118.37(9) . . ?
C31 P3 Ag2 107.13(10) . . ?
C37 P3 Ag2 114.38(11) . . ?
N2 P4 C49 104.74(14) . . ?
N2 P4 C55 105.35(14) . . ?
C49 P4 C55 106.23(16) . . ?
N2 P4 Ag3 121.26(9) . . ?
C49 P4 Ag3 114.21(11) . . ?
C55 P4 Ag3 103.85(11) . . ?
N3 P5 C67 103.21(15) . . ?
N3 P5 C61 103.81(14) . . ?
C67 P5 C61 107.69(17) . . ?
N3 P5 Ag3 120.94(9) . . ?
C67 P5 Ag3 114.72(13) . . ?
C61 P5 Ag3 105.43(11) . . ?
N3 P6 C79 105.38(14) . . ?
N3 P6 C85 105.29(15) . . ?
C79 P6 C85 105.95(17) . . ?
N3 P6 Ag1 121.76(9) . . ?
C79 P6 Ag1 111.13(11) . . ?
C85 P6 Ag1 106.23(11) . . ?
Ag3 Cl1 Ag1 70.84(2) . . ?
Ag3 Cl1 Ag2 68.057(19) . . ?
Ag1 Cl1 Ag2 67.985(19) . . ?
Ag2 Cl2 Ag1 68.59(2) . . ?
Ag2 Cl2 Ag3 68.041(19) . . ?
Ag1 Cl2 Ag3 69.329(19) . . ?
P1 Ag1 P6 120.51(3) . . ?
P1 Ag1 Cl1 114.30(3) . . ?
P6 Ag1 Cl1 109.79(3) . . ?
P1 Ag1 Cl2 106.19(3) . . ?
P6 Ag1 Cl2 104.55(3) . . ?
Cl1 Ag1 Cl2 98.50(2) . . ?
P1 Ag1 Ag2 91.50(2) . . ?
P6 Ag1 Ag2 147.09(2) . . ?
Cl1 Ag1 Ag2 56.704(17) . . ?
Cl2 Ag1 Ag2 54.820(18) . . ?
P1 Ag1 Ag3 150.34(2) . . ?
P6 Ag1 Ag3 88.40(2) . . ?
Cl1 Ag1 Ag3 54.313(18) . . ?
Cl2 Ag1 Ag3 55.713(17) . . ?
Ag2 Ag1 Ag3 59.032(8) . . ?
P3 Ag2 P2 119.97(3) . . ?
P3 Ag2 Cl2 110.67(3) . . ?
P2 Ag2 Cl2 107.24(3) . . ?
P3 Ag2 Cl1 110.10(3) . . ?
P2 Ag2 Cl1 107.94(3) . . ?
Cl2 Ag2 Cl1 98.80(2) . . ?
P3 Ag2 Ag3 91.27(2) . . ?
P2 Ag2 Ag3 148.75(2) . . ?
Cl2 Ag2 Ag3 57.263(18) . . ?
Cl1 Ag2 Ag3 54.995(18) . . ?
P3 Ag2 Ag1 152.98(2) . . ?
P2 Ag2 Ag1 87.03(2) . . ?
Cl2 Ag2 Ag1 56.594(18) . . ?
Cl1 Ag2 Ag1 55.311(17) . . ?
Ag3 Ag2 Ag1 61.719(8) . . ?
P5 Ag3 P4 123.86(3) . . ?
P5 Ag3 Cl1 109.96(3) . . ?
P4 Ag3 Cl1 111.45(3) . . ?
P5 Ag3 Cl2 104.75(3) . . ?
P4 Ag3 Cl2 104.93(3) . . ?
Cl1 Ag3 Cl2 98.32(2) . . ?
P5 Ag3 Ag2 147.64(2) . . ?
P4 Ag3 Ag2 87.67(2) . . ?
Cl1 Ag3 Ag2 56.948(17) . . ?
Cl2 Ag3 Ag2 54.697(18) . . ?
P5 Ag3 Ag1 88.71(2) . . ?
P4 Ag3 Ag1 146.77(2) . . ?
Cl1 Ag3 Ag1 54.845(18) . . ?
Cl2 Ag3 Ag1 54.958(17) . . ?
Ag2 Ag3 Ag1 59.249(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 1.7(6) . . . . ?
P1 C1 C2 C3 -174.3(3) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C2 C3 C4 C5 -1.2(7) . . . . ?
C3 C4 C5 C6 0.8(6) . . . . ?
C2 C1 C6 C5 -2.1(5) . . . . ?
P1 C1 C6 C5 174.2(3) . . . . ?
C4 C5 C6 C1 0.9(6) . . . . ?
C12 C7 C8 C9 1.0(5) . . . . ?
P1 C7 C8 C9 170.9(3) . . . . ?
C7 C8 C9 C10 -0.8(6) . . . . ?
C8 C9 C10 C11 0.1(6) . . . . ?
C9 C10 C11 C12 0.4(6) . . . . ?
C10 C11 C12 C7 -0.1(6) . . . . ?
C8 C7 C12 C11 -0.6(5) . . . . ?
P1 C7 C12 C11 -170.6(3) . . . . ?
C18 C13 C14 C15 1.3(5) . . . . ?
N1 C13 C14 C15 -179.7(3) . . . . ?
C13 C14 C15 C16 -3.8(6) . . . . ?
C14 C15 C16 C17 3.0(7) . . . . ?
C15 C16 C17 C18 0.2(7) . . . . ?
C16 C17 C18 C13 -2.6(6) . . . . ?
C14 C13 C18 C17 1.8(5) . . . . ?
N1 C13 C18 C17 -177.2(3) . . . . ?
C24 C19 C20 C21 -1.8(6) . . . . ?
P2 C19 C20 C21 175.0(3) . . . . ?
C19 C20 C21 C22 1.7(7) . . . . ?
C20 C21 C22 C23 -0.3(9) . . . . ?
C21 C22 C23 C24 -1.0(9) . . . . ?
C22 C23 C24 C19 0.8(7) . . . . ?
C20 C19 C24 C23 0.6(6) . . . . ?
P2 C19 C24 C23 -176.5(3) . . . . ?
C30 C25 C26 C27 -1.5(5) . . . . ?
P2 C25 C26 C27 -168.5(3) . . . . ?
C25 C26 C27 C28 0.1(6) . . . . ?
C26 C27 C28 C29 1.3(6) . . . . ?
C27 C28 C29 C30 -1.4(6) . . . . ?
C26 C25 C30 C29 1.4(5) . . . . ?
P2 C25 C30 C29 169.4(3) . . . . ?
C28 C29 C30 C25 0.0(6) . . . . ?
C36 C31 C32 C33 -2.4(5) . . . . ?
P3 C31 C32 C33 -170.5(3) . . . . ?
C31 C32 C33 C34 1.1(6) . . . . ?
C32 C33 C34 C35 -0.1(6) . . . . ?
C33 C34 C35 C36 0.4(7) . . . . ?
C34 C35 C36 C31 -1.8(7) . . . . ?
C32 C31 C36 C35 2.7(6) . . . . ?
P3 C31 C36 C35 170.8(3) . . . . ?
C42 C37 C38 C39 -0.5(5) . . . . ?
P3 C37 C38 C39 173.4(3) . . . . ?
C37 C38 C39 C40 1.0(6) . . . . ?
C38 C39 C40 C41 -0.1(6) . . . . ?
C39 C40 C41 C42 -1.4(7) . . . . ?
C38 C37 C42 C41 -1.0(5) . . . . ?
P3 C37 C42 C41 -174.4(3) . . . . ?
C40 C41 C42 C37 1.9(6) . . . . ?
C48 C43 C44 C45 2.4(5) . . . . ?
N2 C43 C44 C45 -177.1(3) . . . . ?
C43 C44 C45 C46 -2.4(6) . . . . ?
C44 C45 C46 C47 1.1(6) . . . . ?
C45 C46 C47 C48 0.0(6) . . . . ?
C46 C47 C48 C43 0.1(6) . . . . ?
C44 C43 C48 C47 -1.3(5) . . . . ?
N2 C43 C48 C47 178.3(3) . . . . ?
C54 C49 C50 C51 0.8(6) . . . . ?
P4 C49 C50 C51 -178.4(3) . . . . ?
C49 C50 C51 C52 0.6(6) . . . . ?
C50 C51 C52 C53 -1.4(7) . . . . ?
C51 C52 C53 C54 0.8(8) . . . . ?
C50 C49 C54 C53 -1.3(6) . . . . ?
P4 C49 C54 C53 177.9(4) . . . . ?
C52 C53 C54 C49 0.6(7) . . . . ?
C60 C55 C56 C57 -2.5(7) . . . . ?
P4 C55 C56 C57 -172.8(4) . . . . ?
C55 C56 C57 C58 1.4(8) . . . . ?
C56 C57 C58 C59 0.0(9) . . . . ?
C57 C58 C59 C60 -0.3(8) . . . . ?
C58 C59 C60 C55 -0.8(7) . . . . ?
C56 C55 C60 C59 2.2(6) . . . . ?
P4 C55 C60 C59 173.2(3) . . . . ?
C66 C61 C62 C63 4.3(6) . . . . ?
P5 C61 C62 C63 177.9(3) . . . . ?
C61 C62 C63 C64 -1.5(7) . . . . ?
C62 C63 C64 C65 -1.0(8) . . . . ?
C63 C64 C65 C66 0.5(8) . . . . ?
C62 C61 C66 C65 -4.7(7) . . . . ?
P5 C61 C66 C65 -177.6(4) . . . . ?
C64 C65 C66 C61 2.4(8) . . . . ?
C72 C67 C68 C69 -0.5(7) . . . . ?
P5 C67 C68 C69 -174.1(4) . . . . ?
C67 C68 C69 C70 1.2(9) . . . . ?
C68 C69 C70 C71 -1.3(11) . . . . ?
C69 C70 C71 C72 0.7(11) . . . . ?
C68 C67 C72 C71 -0.1(7) . . . . ?
P5 C67 C72 C71 174.0(4) . . . . ?
C70 C71 C72 C67 0.0(9) . . . . ?
C78 C73 C74 C75 0.0(6) . . . . ?
N3 C73 C74 C75 177.0(4) . . . . ?
C73 C74 C75 C76 -1.2(7) . . . . ?
C74 C75 C76 C77 2.2(7) . . . . ?
C75 C76 C77 C78 -2.1(7) . . . . ?
C74 C73 C78 C77 0.1(6) . . . . ?
N3 C73 C78 C77 -176.9(3) . . . . ?
C76 C77 C78 C73 0.9(7) . . . . ?
C84 C79 C80 C81 1.5(6) . . . . ?
P6 C79 C80 C81 -178.1(3) . . . . ?
C79 C80 C81 C82 0.1(6) . . . . ?
C80 C81 C82 C83 -1.0(7) . . . . ?
C81 C82 C83 C84 0.4(8) . . . . ?
C80 C79 C84 C83 -2.1(6) . . . . ?
P6 C79 C84 C83 177.4(3) . . . . ?
C82 C83 C84 C79 1.2(7) . . . . ?
C90 C85 C86 C87 1.5(6) . . . . ?
P6 C85 C86 C87 171.6(3) . . . . ?
C85 C86 C87 C88 -0.1(7) . . . . ?
C86 C87 C88 C89 -0.3(8) . . . . ?
C87 C88 C89 C90 -0.7(8) . . . . ?
C88 C89 C90 C85 2.2(8) . . . . ?
C86 C85 C90 C89 -2.5(6) . . . . ?
P6 C85 C90 C89 -171.9(4) . . . . ?
C14 C13 N1 P1 -103.5(3) . . . . ?
C18 C13 N1 P1 75.5(4) . . . . ?
C14 C13 N1 P2 78.6(4) . . . . ?
C18 C13 N1 P2 -102.4(3) . . . . ?
C44 C43 N2 P4 96.5(3) . . . . ?
C48 C43 N2 P4 -83.1(3) . . . . ?
C44 C43 N2 P3 -93.0(3) . . . . ?
C48 C43 N2 P3 87.4(3) . . . . ?
C78 C73 N3 P6 -86.0(4) . . . . ?
C74 C73 N3 P6 97.0(4) . . . . ?
C78 C73 N3 P5 93.0(3) . . . . ?
C74 C73 N3 P5 -83.9(4) . . . . ?
C13 N1 P1 C7 62.5(3) . . . . ?
P2 N1 P1 C7 -119.64(19) . . . . ?
C13 N1 P1 C1 -48.4(3) . . . . ?
P2 N1 P1 C1 129.49(19) . . . . ?
C13 N1 P1 Ag1 -173.8(2) . . . . ?
P2 N1 P1 Ag1 4.1(2) . . . . ?
C8 C7 P1 N1 37.9(3) . . . . ?
C12 C7 P1 N1 -152.3(3) . . . . ?
C8 C7 P1 C1 148.1(3) . . . . ?
C12 C7 P1 C1 -42.1(3) . . . . ?
C8 C7 P1 Ag1 -91.6(3) . . . . ?
C12 C7 P1 Ag1 78.2(3) . . . . ?
C6 C1 P1 N1 -92.5(3) . . . . ?
C2 C1 P1 N1 83.7(3) . . . . ?
C6 C1 P1 C7 155.1(3) . . . . ?
C2 C1 P1 C7 -28.7(3) . . . . ?
C6 C1 P1 Ag1 37.0(3) . . . . ?
C2 C1 P1 Ag1 -146.8(3) . . . . ?
C13 N1 P2 C19 -60.9(3) . . . . ?
P1 N1 P2 C19 121.2(2) . . . . ?
C13 N1 P2 C25 52.9(3) . . . . ?
P1 N1 P2 C25 -124.99(18) . . . . ?
C13 N1 P2 Ag2 168.7(2) . . . . ?
P1 N1 P2 Ag2 -9.2(2) . . . . ?
C24 C19 P2 N1 -103.1(3) . . . . ?
C20 C19 P2 N1 80.0(3) . . . . ?
C24 C19 P2 C25 143.7(3) . . . . ?
C20 C19 P2 C25 -33.2(4) . . . . ?
C24 C19 P2 Ag2 33.5(3) . . . . ?
C20 C19 P2 Ag2 -143.4(3) . . . . ?
C26 C25 P2 N1 -137.7(3) . . . . ?
C30 C25 P2 N1 55.1(3) . . . . ?
C26 C25 P2 C19 -23.3(3) . . . . ?
C30 C25 P2 C19 169.5(3) . . . . ?
C26 C25 P2 Ag2 93.2(3) . . . . ?
C30 C25 P2 Ag2 -74.0(3) . . . . ?
C43 N2 P3 C31 66.0(3) . . . . ?
P4 N2 P3 C31 -123.68(18) . . . . ?
C43 N2 P3 C37 -44.8(3) . . . . ?
P4 N2 P3 C37 125.49(18) . . . . ?
C43 N2 P3 Ag2 -172.75(19) . . . . ?
P4 N2 P3 Ag2 -2.4(2) . . . . ?
C36 C31 P3 N2 43.8(3) . . . . ?
C32 C31 P3 N2 -148.4(3) . . . . ?
C36 C31 P3 C37 153.7(3) . . . . ?
C32 C31 P3 C37 -38.5(3) . . . . ?
C36 C31 P3 Ag2 -84.3(3) . . . . ?
C32 C31 P3 Ag2 83.5(3) . . . . ?
C42 C37 P3 N2 77.3(3) . . . . ?
C38 C37 P3 N2 -96.3(3) . . . . ?
C42 C37 P3 C31 -35.2(3) . . . . ?
C38 C37 P3 C31 151.2(3) . . . . ?
C42 C37 P3 Ag2 -152.4(3) . . . . ?
C38 C37 P3 Ag2 34.0(3) . . . . ?
C43 N2 P4 C49 -51.7(3) . . . . ?
P3 N2 P4 C49 137.92(18) . . . . ?
C43 N2 P4 C55 60.2(3) . . . . ?
P3 N2 P4 C55 -110.25(19) . . . . ?
C43 N2 P4 Ag3 177.35(18) . . . . ?
P3 N2 P4 Ag3 6.9(2) . . . . ?
C54 C49 P4 N2 -112.5(3) . . . . ?
C50 C49 P4 N2 66.7(3) . . . . ?
C54 C49 P4 C55 136.3(3) . . . . ?
C50 C49 P4 C55 -44.5(3) . . . . ?
C54 C49 P4 Ag3 22.4(3) . . . . ?
C50 C49 P4 Ag3 -158.4(3) . . . . ?
C56 C55 P4 N2 -130.0(3) . . . . ?
C60 C55 P4 N2 59.5(3) . . . . ?
C56 C55 P4 C49 -19.2(4) . . . . ?
C60 C55 P4 C49 170.2(3) . . . . ?
C56 C55 P4 Ag3 101.5(3) . . . . ?
C60 C55 P4 Ag3 -69.0(3) . . . . ?
C73 N3 P5 C67 -52.7(3) . . . . ?
P6 N3 P5 C67 126.4(2) . . . . ?
C73 N3 P5 C61 59.6(3) . . . . ?
P6 N3 P5 C61 -121.36(18) . . . . ?
C73 N3 P5 Ag3 177.41(19) . . . . ?
P6 N3 P5 Ag3 -3.5(2) . . . . ?
C72 C67 P5 N3 -103.9(3) . . . . ?
C68 C67 P5 N3 69.9(4) . . . . ?
C72 C67 P5 C61 146.7(3) . . . . ?
C68 C67 P5 C61 -39.5(4) . . . . ?
C72 C67 P5 Ag3 29.7(3) . . . . ?
C68 C67 P5 Ag3 -156.5(3) . . . . ?
C66 C61 P5 N3 -128.1(4) . . . . ?
C62 C61 P5 N3 58.9(3) . . . . ?
C66 C61 P5 C67 -19.1(4) . . . . ?
C62 C61 P5 C67 167.9(3) . . . . ?
C66 C61 P5 Ag3 103.8(3) . . . . ?
C62 C61 P5 Ag3 -69.2(3) . . . . ?
C73 N3 P6 C79 -49.5(3) . . . . ?
P5 N3 P6 C79 131.43(18) . . . . ?
C73 N3 P6 C85 62.2(3) . . . . ?
P5 N3 P6 C85 -116.82(19) . . . . ?
C73 N3 P6 Ag1 -177.1(2) . . . . ?
P5 N3 P6 Ag1 3.8(2) . . . . ?
C84 C79 P6 N3 72.5(4) . . . . ?
C80 C79 P6 N3 -107.9(3) . . . . ?
C84 C79 P6 C85 -38.8(4) . . . . ?
C80 C79 P6 C85 140.8(3) . . . . ?
C84 C79 P6 Ag1 -153.7(3) . . . . ?
C80 C79 P6 Ag1 25.8(3) . . . . ?
C90 C85 P6 N3 -137.8(3) . . . . ?
C86 C85 P6 N3 52.6(3) . . . . ?
C90 C85 P6 C79 -26.4(4) . . . . ?
C86 C85 P6 C79 163.9(3) . . . . ?
C90 C85 P6 Ag1 91.8(3) . . . . ?
C86 C85 P6 Ag1 -77.8(3) . . . . ?
N1 P1 Ag1 P6 173.32(11) . . . . ?
C7 P1 Ag1 P6 -63.86(12) . . . . ?
C1 P1 Ag1 P6 51.89(12) . . . . ?
N1 P1 Ag1 Cl1 -52.48(12) . . . . ?
C7 P1 Ag1 Cl1 70.35(12) . . . . ?
C1 P1 Ag1 Cl1 -173.91(11) . . . . ?
N1 P1 Ag1 Cl2 54.98(11) . . . . ?
C7 P1 Ag1 Cl2 177.80(12) . . . . ?
C1 P1 Ag1 Cl2 -66.45(12) . . . . ?
N1 P1 Ag1 Ag2 1.32(11) . . . . ?
C7 P1 Ag1 Ag2 124.14(12) . . . . ?
C1 P1 Ag1 Ag2 -120.11(12) . . . . ?
N1 P1 Ag1 Ag3 7.48(13) . . . . ?
C7 P1 Ag1 Ag3 130.30(12) . . . . ?
C1 P1 Ag1 Ag3 -113.95(12) . . . . ?
N3 P6 Ag1 P1 -175.16(11) . . . . ?
C79 P6 Ag1 P1 59.84(13) . . . . ?
C85 P6 Ag1 P1 -54.95(14) . . . . ?
N3 P6 Ag1 Cl1 48.81(12) . . . . ?
C79 P6 Ag1 Cl1 -76.18(12) . . . . ?
C85 P6 Ag1 Cl1 169.03(14) . . . . ?
N3 P6 Ag1 Cl2 -56.00(12) . . . . ?
C79 P6 Ag1 Cl2 179.00(12) . . . . ?
C85 P6 Ag1 Cl2 64.22(14) . . . . ?
N3 P6 Ag1 Ag2 -10.00(13) . . . . ?
C79 P6 Ag1 Ag2 -135.00(12) . . . . ?
C85 P6 Ag1 Ag2 110.22(14) . . . . ?
N3 P6 Ag1 Ag3 -2.12(11) . . . . ?
C79 P6 Ag1 Ag3 -127.12(12) . . . . ?
C85 P6 Ag1 Ag3 118.10(14) . . . . ?
Ag3 Cl1 Ag1 P1 148.17(2) . . . . ?
Ag2 Cl1 Ag1 P1 74.80(3) . . . . ?
Ag3 Cl1 Ag1 P6 -72.85(3) . . . . ?
Ag2 Cl1 Ag1 P6 -146.22(2) . . . . ?
Ag3 Cl1 Ag1 Cl2 36.04(2) . . . . ?
Ag2 Cl1 Ag1 Cl2 -37.33(2) . . . . ?
Ag3 Cl1 Ag1 Ag2 73.367(15) . . . . ?
Ag2 Cl1 Ag1 Ag3 -73.367(15) . . . . ?
Ag2 Cl2 Ag1 P1 -80.14(3) . . . . ?
Ag3 Cl2 Ag1 P1 -153.80(2) . . . . ?
Ag2 Cl2 Ag1 P6 151.43(2) . . . . ?
Ag3 Cl2 Ag1 P6 77.77(2) . . . . ?
Ag2 Cl2 Ag1 Cl1 38.33(2) . . . . ?
Ag3 Cl2 Ag1 Cl1 -35.33(2) . . . . ?
Ag3 Cl2 Ag1 Ag2 -73.659(16) . . . . ?
Ag2 Cl2 Ag1 Ag3 73.659(16) . . . . ?
N2 P3 Ag2 P2 179.07(10) . . . . ?
C31 P3 Ag2 P2 -59.58(11) . . . . ?
C37 P3 Ag2 P2 56.38(12) . . . . ?
N2 P3 Ag2 Cl2 53.39(11) . . . . ?
C31 P3 Ag2 Cl2 174.74(11) . . . . ?
C37 P3 Ag2 Cl2 -69.30(12) . . . . ?
N2 P3 Ag2 Cl1 -54.80(11) . . . . ?
C31 P3 Ag2 Cl1 66.55(11) . . . . ?
C37 P3 Ag2 Cl1 -177.49(12) . . . . ?
N2 P3 Ag2 Ag3 -1.88(10) . . . . ?
C31 P3 Ag2 Ag3 119.47(11) . . . . ?
C37 P3 Ag2 Ag3 -124.57(12) . . . . ?
N2 P3 Ag2 Ag1 -2.86(12) . . . . ?
C31 P3 Ag2 Ag1 118.49(11) . . . . ?
C37 P3 Ag2 Ag1 -125.55(12) . . . . ?
N1 P2 Ag2 P3 -172.91(11) . . . . ?
C19 P2 Ag2 P3 58.08(14) . . . . ?
C25 P2 Ag2 P3 -55.20(12) . . . . ?
N1 P2 Ag2 Cl2 -45.63(12) . . . . ?
C19 P2 Ag2 Cl2 -174.65(13) . . . . ?
C25 P2 Ag2 Cl2 72.08(12) . . . . ?
N1 P2 Ag2 Cl1 59.97(12) . . . . ?
C19 P2 Ag2 Cl1 -69.05(13) . . . . ?
C25 P2 Ag2 Cl1 177.67(12) . . . . ?
N1 P2 Ag2 Ag3 8.93(13) . . . . ?
C19 P2 Ag2 Ag3 -120.09(13) . . . . ?
C25 P2 Ag2 Ag3 126.63(12) . . . . ?
N1 P2 Ag2 Ag1 7.97(12) . . . . ?
C19 P2 Ag2 Ag1 -121.04(13) . . . . ?
C25 P2 Ag2 Ag1 125.68(12) . . . . ?
Ag1 Cl2 Ag2 P3 -153.10(2) . . . . ?
Ag3 Cl2 Ag2 P3 -77.62(2) . . . . ?
Ag1 Cl2 Ag2 P2 74.35(2) . . . . ?
Ag3 Cl2 Ag2 P2 149.83(2) . . . . ?
Ag1 Cl2 Ag2 Cl1 -37.63(2) . . . . ?
Ag3 Cl2 Ag2 Cl1 37.85(2) . . . . ?
Ag1 Cl2 Ag2 Ag3 -75.480(15) . . . . ?
Ag3 Cl2 Ag2 Ag1 75.480(15) . . . . ?
Ag3 Cl1 Ag2 P3 76.85(3) . . . . ?
Ag1 Cl1 Ag2 P3 154.22(2) . . . . ?
Ag3 Cl1 Ag2 P2 -150.49(2) . . . . ?
Ag1 Cl1 Ag2 P2 -73.13(3) . . . . ?
Ag3 Cl1 Ag2 Cl2 -39.06(2) . . . . ?
Ag1 Cl1 Ag2 Cl2 38.31(2) . . . . ?
Ag1 Cl1 Ag2 Ag3 77.365(17) . . . . ?
Ag3 Cl1 Ag2 Ag1 -77.365(16) . . . . ?
P1 Ag1 Ag2 P3 177.57(5) . . . . ?
P6 Ag1 Ag2 P3 10.31(7) . . . . ?
Cl1 Ag1 Ag2 P3 -64.06(5) . . . . ?
Cl2 Ag1 Ag2 P3 68.74(5) . . . . ?
Ag3 Ag1 Ag2 P3 1.12(5) . . . . ?
P1 Ag1 Ag2 P2 -4.11(3) . . . . ?
P6 Ag1 Ag2 P2 -171.36(4) . . . . ?
Cl1 Ag1 Ag2 P2 114.26(3) . . . . ?
Cl2 Ag1 Ag2 P2 -112.94(3) . . . . ?
Ag3 Ag1 Ag2 P2 179.44(2) . . . . ?
P1 Ag1 Ag2 Cl2 108.83(3) . . . . ?
P6 Ag1 Ag2 Cl2 -58.42(4) . . . . ?
Cl1 Ag1 Ag2 Cl2 -132.79(3) . . . . ?
Ag3 Ag1 Ag2 Cl2 -67.62(2) . . . . ?
P1 Ag1 Ag2 Cl1 -118.37(3) . . . . ?
P6 Ag1 Ag2 Cl1 74.37(4) . . . . ?
Cl2 Ag1 Ag2 Cl1 132.79(3) . . . . ?
Ag3 Ag1 Ag2 Cl1 65.18(2) . . . . ?
P1 Ag1 Ag2 Ag3 176.45(2) . . . . ?
P6 Ag1 Ag2 Ag3 9.20(4) . . . . ?
Cl1 Ag1 Ag2 Ag3 -65.18(2) . . . . ?
Cl2 Ag1 Ag2 Ag3 67.62(2) . . . . ?
N3 P5 Ag3 P4 174.55(11) . . . . ?
C67 P5 Ag3 P4 49.86(14) . . . . ?
C61 P5 Ag3 P4 -68.44(12) . . . . ?
N3 P5 Ag3 Cl1 -50.05(11) . . . . ?
C67 P5 Ag3 Cl1 -174.74(13) . . . . ?
C61 P5 Ag3 Cl1 66.96(12) . . . . ?
N3 P5 Ag3 Cl2 54.71(11) . . . . ?
C67 P5 Ag3 Cl2 -69.97(14) . . . . ?
C61 P5 Ag3 Cl2 171.72(12) . . . . ?
N3 P5 Ag3 Ag2 9.22(13) . . . . ?
C67 P5 Ag3 Ag2 -115.47(14) . . . . ?
C61 P5 Ag3 Ag2 126.23(12) . . . . ?
N3 P5 Ag3 Ag1 1.57(11) . . . . ?
C67 P5 Ag3 Ag1 -123.12(13) . . . . ?
C61 P5 Ag3 Ag1 118.58(12) . . . . ?
N2 P4 Ag3 P5 -178.67(10) . . . . ?
C49 P4 Ag3 P5 54.51(13) . . . . ?
C55 P4 Ag3 P5 -60.73(12) . . . . ?
N2 P4 Ag3 Cl1 46.49(11) . . . . ?
C49 P4 Ag3 Cl1 -80.33(13) . . . . ?
C55 P4 Ag3 Cl1 164.43(11) . . . . ?
N2 P4 Ag3 Cl2 -58.91(11) . . . . ?
C49 P4 Ag3 Cl2 174.27(12) . . . . ?
C55 P4 Ag3 Cl2 59.03(11) . . . . ?
N2 P4 Ag3 Ag2 -6.46(11) . . . . ?
C49 P4 Ag3 Ag2 -133.28(12) . . . . ?
C55 P4 Ag3 Ag2 111.48(11) . . . . ?
N2 P4 Ag3 Ag1 -11.55(12) . . . . ?
C49 P4 Ag3 Ag1 -138.37(12) . . . . ?
C55 P4 Ag3 Ag1 106.39(12) . . . . ?
Ag1 Cl1 Ag3 P5 73.44(3) . . . . ?
Ag2 Cl1 Ag3 P5 146.71(2) . . . . ?
Ag1 Cl1 Ag3 P4 -145.35(2) . . . . ?
Ag2 Cl1 Ag3 P4 -72.08(3) . . . . ?
Ag1 Cl1 Ag3 Cl2 -35.64(2) . . . . ?
Ag2 Cl1 Ag3 Cl2 37.63(2) . . . . ?
Ag1 Cl1 Ag3 Ag2 -73.270(15) . . . . ?
Ag2 Cl1 Ag3 Ag1 73.270(15) . . . . ?
Ag2 Cl2 Ag3 P5 -152.11(2) . . . . ?
Ag1 Cl2 Ag3 P5 -77.70(3) . . . . ?
Ag2 Cl2 Ag3 P4 76.09(3) . . . . ?
Ag1 Cl2 Ag3 P4 150.51(2) . . . . ?
Ag2 Cl2 Ag3 Cl1 -38.84(2) . . . . ?
Ag1 Cl2 Ag3 Cl1 35.58(2) . . . . ?
Ag1 Cl2 Ag3 Ag2 74.418(16) . . . . ?
Ag2 Cl2 Ag3 Ag1 -74.418(16) . . . . ?
P3 Ag2 Ag3 P5 171.60(4) . . . . ?
P2 Ag2 Ag3 P5 -9.98(6) . . . . ?
Cl2 Ag2 Ag3 P5 57.68(4) . . . . ?
Cl1 Ag2 Ag3 P5 -74.56(4) . . . . ?
Ag1 Ag2 Ag3 P5 -8.90(4) . . . . ?
P3 Ag2 Ag3 P4 3.75(3) . . . . ?
P2 Ag2 Ag3 P4 -177.83(5) . . . . ?
Cl2 Ag2 Ag3 P4 -110.17(3) . . . . ?
Cl1 Ag2 Ag3 P4 117.59(3) . . . . ?
Ag1 Ag2 Ag3 P4 -176.76(2) . . . . ?
P3 Ag2 Ag3 Cl1 -113.84(3) . . . . ?
P2 Ag2 Ag3 Cl1 64.58(5) . . . . ?
Cl2 Ag2 Ag3 Cl1 132.24(3) . . . . ?
Ag1 Ag2 Ag3 Cl1 65.66(2) . . . . ?
P3 Ag2 Ag3 Cl2 113.92(3) . . . . ?
P2 Ag2 Ag3 Cl2 -67.67(5) . . . . ?
Cl1 Ag2 Ag3 Cl2 -132.24(3) . . . . ?
Ag1 Ag2 Ag3 Cl2 -66.59(2) . . . . ?
P3 Ag2 Ag3 Ag1 -179.49(2) . . . . ?
P2 Ag2 Ag3 Ag1 -1.08(4) . . . . ?
Cl2 Ag2 Ag3 Ag1 66.59(2) . . . . ?
Cl1 Ag2 Ag3 Ag1 -65.66(2) . . . . ?
P1 Ag1 Ag3 P5 168.06(5) . . . . ?
P6 Ag1 Ag3 P5 0.23(3) . . . . ?
Cl1 Ag1 Ag3 P5 -115.68(3) . . . . ?
Cl2 Ag1 Ag3 P5 109.08(3) . . . . ?
Ag2 Ag1 Ag3 P5 175.25(2) . . . . ?
P1 Ag1 Ag3 P4 -1.26(6) . . . . ?
P6 Ag1 Ag3 P4 -169.09(4) . . . . ?
Cl1 Ag1 Ag3 P4 74.99(4) . . . . ?
Cl2 Ag1 Ag3 P4 -60.24(4) . . . . ?
Ag2 Ag1 Ag3 P4 5.92(4) . . . . ?
P1 Ag1 Ag3 Cl1 -76.26(5) . . . . ?
P6 Ag1 Ag3 Cl1 115.91(3) . . . . ?
Cl2 Ag1 Ag3 Cl1 -135.24(3) . . . . ?
Ag2 Ag1 Ag3 Cl1 -69.07(2) . . . . ?
P1 Ag1 Ag3 Cl2 58.98(5) . . . . ?
P6 Ag1 Ag3 Cl2 -108.85(3) . . . . ?
Cl1 Ag1 Ag3 Cl2 135.24(3) . . . . ?
Ag2 Ag1 Ag3 Cl2 66.17(2) . . . . ?
P1 Ag1 Ag3 Ag2 -7.19(4) . . . . ?
P6 Ag1 Ag3 Ag2 -175.02(2) . . . . ?
Cl1 Ag1 Ag3 Ag2 69.07(2) . . . . ?
Cl2 Ag1 Ag3 Ag2 -66.17(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        31.04
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.540
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.119

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.370 0.853 0.119 240.4 36.4
2 0.630 0.147 -0.119 240.4 36.4
3 0.630 0.353 0.381 240.4 35.4
4 0.370 0.647 0.619 240.4 35.5
_platon_squeeze_details          
;
 The residual electron density was assigned to one molecule of the
 dichloromethane solvent [144/4 = 36 e per asymmetric unit; one molecule
 of CH2Cl2 would give 42e].
;

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_3c
_database_code_depnum_ccdc_archive 'CCDC 1497153'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C62 H54 Ag2 B F4 N2 O2 P4, B F4'
_chemical_formula_sum            'C62 H54 Ag2 B2 F8 N2 O2 P4'
_exptl_crystal_recrystallization_method 'Acetone - Diethyl ether'
_chemical_melting_point          ?

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_diffrn_ambient_temperature      173(2)
_chemical_formula_weight         1372.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 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+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   19.6121(4)
_cell_length_b                   17.0360(3)
_cell_length_c                   17.8281(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5956.58(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    33357
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_F_000             2768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_absorpt_coefficient_mu    0.835
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7090
_exptl_absorpt_correction_T_max  0.8906
_exptl_absorpt_process_details   
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_special_details   ?
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 9
_diffrn_reflns_number            49665
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0742
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.583
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5749
_reflns_number_gt                4818
_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       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'Sir 97'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_refine_special_details          
;         
 Two phenyl rings were defined over two sets of positions. The use of hard constrains 
 and / or restrains was necessary to avoid abnormally long or short C-C bonds distances
 (refining with only one set of positions led to Alerts A and B in the check cif report).
 The sof of the rings were found equal to 0.71/0.29 and 0.80/0.20. Besides, the non-
 coordinated BF4 is severely disordered. Two extra fluorine atom positions were found 
(sof approx 50/50 with reasonable ADPs); however, under anisotropic conditions, the 
 refinement was not converging (even with hard constrains). Finally the collected data 
 seemed very reliable. No evidence of twinning issue was unveiled.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1504P)²+88.1929P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5749
_refine_ls_number_parameters     278
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0953
_refine_ls_wR_factor_ref         0.2740
_refine_ls_wR_factor_gt          0.2609
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_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 0.06084(3) 0.29133(3) 0.19559(3) 0.0251(3) Uani 1 1 d . . . . .
P1 P 0.14922(11) 0.27396(11) 0.30048(11) 0.0224(4) Uani 1 1 d . . . . .
P2 P 0.01837(10) 0.25043(11) 0.40874(11) 0.0228(4) Uani 1 1 d . . . . .
F1 F 0.0149(4) 0.4162(3) 0.1855(3) 0.0525(16) Uani 1 1 d . . . . .
F2 F -0.0611(3) 0.4991(3) 0.2342(4) 0.0460(15) Uani 1 1 d . . . . .
O1 O 0.3119(3) 0.1439(3) 0.6127(4) 0.0386(15) Uani 1 1 d . . . . .
N1 N 0.1123(3) 0.2461(3) 0.3879(3) 0.0226(13) Uani 1 1 d . . . . .
C1 C 0.1665(3) 0.2230(3) 0.4500(3) 0.0255(17) Uani 1 1 d G . . . .
C2 C 0.2036(3) 0.2734(2) 0.4957(3) 0.047(2) Uani 1 1 d G . . . .
H2 H 0.1975 0.3274 0.4917 0.056 Uiso 1 1 calc R U . . .
C3 C 0.2498(3) 0.2432(3) 0.5473(3) 0.043(2) Uani 1 1 d G . . . .
H3 H 0.2746 0.2770 0.5778 0.052 Uiso 1 1 calc R U . . .
C4 C 0.2589(3) 0.1625(3) 0.5532(3) 0.0316(19) Uani 1 1 d G . . . .
C5 C 0.2217(3) 0.1121(2) 0.5075(3) 0.043(2) Uani 1 1 d G . . . .
H5 H 0.2278 0.0581 0.5115 0.052 Uiso 1 1 calc R U . . .
C6 C 0.1755(3) 0.1423(3) 0.4559(3) 0.036(2) Uani 1 1 d G . . . .
H6 H 0.1507 0.1085 0.4254 0.043 Uiso 1 1 calc R U . . .
C7 C 0.3146(6) 0.0728(5) 0.6271(6) 0.047(3) Uani 1 1 d . . . . .
H7A H 0.3486 0.0636 0.6648 0.071 Uiso 1 1 calc R U . . .
H7B H 0.2710 0.0555 0.6452 0.071 Uiso 1 1 calc R U . . .
H7C H 0.3261 0.0443 0.5825 0.071 Uiso 1 1 calc R U . . .
C8A C 0.2131(4) 0.2062(4) 0.2727(5) 0.0260(17) Uani 1 1 d . . . . .
C9A C 0.1873(5) 0.1593(4) 0.2171(5) 0.0313(18) Uani 1 1 d . . . . .
H9A H 0.1438 0.1651 0.1969 0.038 Uiso 1 1 calc R U . . .
C10A C 0.2307(5) 0.1050(5) 0.1955(6) 0.043(2) Uani 1 1 d . . . . .
H10A H 0.2179 0.0709 0.1572 0.051 Uiso 1 1 calc R U . . .
C11A C 0.3003(5) 0.0956(5) 0.2301(7) 0.045(2) Uani 1 1 d . . . . .
H11A H 0.3279 0.0556 0.2115 0.054 Uiso 1 1 calc R U . . .
C12A C 0.3259(5) 0.1400(5) 0.2854(6) 0.040(2) Uani 1 1 d . . . . .
H12A H 0.3688 0.1325 0.3065 0.048 Uiso 1 1 calc R U . . .
C13A C 0.2827(5) 0.1959(5) 0.3067(5) 0.0330(19) Uani 1 1 d . . . . .
H13A H 0.2963 0.2302 0.3444 0.040 Uiso 1 1 calc R U . . .
C14A C 0.2052(4) 0.3492(4) 0.3237(5) 0.0271(17) Uani 1 1 d . . . . .
C15A C 0.2751(5) 0.3613(5) 0.2910(6) 0.039(2) Uani 1 1 d . . . . .
H15A H 0.2927 0.3225 0.2598 0.047 Uiso 1 1 calc R U . . .
C16A C 0.3118(6) 0.4229(6) 0.3038(7) 0.054(3) Uani 1 1 d . . . . .
H16A H 0.3554 0.4318 0.2851 0.065 Uiso 1 1 calc R U . . .
C17A C 0.2766(6) 0.4722(5) 0.3489(7) 0.056(3) Uani 1 1 d . . . . .
H17A H 0.2985 0.5188 0.3614 0.068 Uiso 1 1 calc R U . . .
C18A C 0.2070(6) 0.4612(5) 0.3811(7) 0.053(3) Uani 1 1 d . . . . .
H18A H 0.1888 0.5007 0.4110 0.063 Uiso 1 1 calc R U . . .
C19A C 0.1711(5) 0.3992(4) 0.3690(6) 0.037(2) Uani 1 1 d . . . . .
H19A H 0.1278 0.3902 0.3887 0.044 Uiso 1 1 calc R U . . .
C20A C 0.0034(3) 0.1173(3) 0.3730(4) 0.0370(12) Uani 0.713(14) 1 d G . P A 1
H20A H 0.0330 0.1306 0.3343 0.044 Uiso 0.713(14) 1 calc R U P A 1
C21A C -0.0265(4) 0.0433(3) 0.3746(5) 0.0370(12) Uani 0.713(14) 1 d G . P A 1
H21A H -0.0170 0.0072 0.3369 0.044 Uiso 0.713(14) 1 calc R U P A 1
C22A C -0.0708(4) 0.0234(4) 0.4325(6) 0.0370(12) Uani 0.713(14) 1 d G . P A 1
H22A H -0.0908 -0.0261 0.4335 0.044 Uiso 0.713(14) 1 calc R U P A 1
C23A C -0.0850(4) 0.0774(5) 0.4888(5) 0.0370(12) Uani 0.713(14) 1 d G . P A 1
H23A H -0.1146 0.0641 0.5275 0.044 Uiso 0.713(14) 1 calc R U P A 1
C24A C -0.0551(4) 0.1513(4) 0.4872(4) 0.0370(12) Uani 0.713(14) 1 d G . P A 1
H24A H -0.0647 0.1875 0.5248 0.044 Uiso 0.713(14) 1 calc R U P A 1
C25A C -0.0109(3) 0.1713(3) 0.4293(4) 0.0370(12) Uani 0.713(14) 1 d G . P A 1
C20B C -0.0111(3) 0.1599(3) 0.4229(4) 0.0370(12) Uani 0.287(14) 1 d G . P A 2
C21B C 0.0117(4) 0.1169(3) 0.3617(4) 0.0370(12) Uani 0.287(14) 1 d G . P A 2
H21B H 0.0435 0.1386 0.3289 0.044 Uiso 0.287(14) 1 calc R U P A 2
C22B C -0.0129(5) 0.0415(3) 0.3493(5) 0.0370(12) Uani 0.287(14) 1 d G . P A 2
H22B H 0.0024 0.0127 0.3083 0.044 Uiso 0.287(14) 1 calc R U P A 2
C23B C -0.0604(4) 0.0091(3) 0.3982(6) 0.0370(12) Uani 0.287(14) 1 d G . P A 2
H23B H -0.0768 -0.0414 0.3899 0.044 Uiso 0.287(14) 1 calc R U P A 2
C24B C -0.0832(3) 0.0521(4) 0.4595(5) 0.0370(12) Uani 0.287(14) 1 d G . P A 2
H24B H -0.1150 0.0304 0.4922 0.044 Uiso 0.287(14) 1 calc R U P A 2
C25B C -0.0586(3) 0.1275(4) 0.4719(4) 0.0370(12) Uani 0.287(14) 1 d G . P A 2
H25B H -0.0739 0.1563 0.5129 0.044 Uiso 0.287(14) 1 calc R U P A 2
C26A C 0.0151(6) 0.2884(5) 0.5047(4) 0.0332(11) Uani 0.803(16) 1 d G . P A 1
C27A C 0.0388(5) 0.2554(4) 0.5711(5) 0.0332(11) Uani 0.803(16) 1 d G . P A 1
H27A H 0.0524 0.2031 0.5721 0.040 Uiso 0.803(16) 1 calc R U P A 1
C28A C 0.0420(5) 0.3005(5) 0.6360(4) 0.0332(11) Uani 0.803(16) 1 d G . P A 1
H28A H 0.0578 0.2784 0.6804 0.040 Uiso 0.803(16) 1 calc R U P A 1
C29A C 0.0216(5) 0.3786(4) 0.6344(3) 0.0332(11) Uani 0.803(16) 1 d G . P A 1
H29A H 0.0237 0.4088 0.6779 0.040 Uiso 0.803(16) 1 calc R U P A 1
C30A C -0.0020(5) 0.4116(4) 0.5681(4) 0.0332(11) Uani 0.803(16) 1 d G . P A 1
H30A H -0.0157 0.4639 0.5670 0.040 Uiso 0.803(16) 1 calc R U P A 1
C31A C -0.0053(5) 0.3665(5) 0.5032(4) 0.0332(11) Uani 0.803(16) 1 d G . P A 1
H31A H -0.0211 0.3886 0.4588 0.040 Uiso 0.803(16) 1 calc R U P A 1
C26B C 0.018(2) 0.296(2) 0.5023(18) 0.0332(11) Uani 0.197(16) 1 d G . P A 2
C27B C 0.042(2) 0.277(2) 0.573(2) 0.0332(11) Uani 0.197(16) 1 d G . P A 2
H27B H 0.0680 0.2316 0.5799 0.040 Uiso 0.197(16) 1 calc R U P A 2
C28B C 0.0286(18) 0.326(2) 0.6339(16) 0.0332(11) Uani 0.197(16) 1 d G . P A 2
H28B H 0.0448 0.3127 0.6813 0.040 Uiso 0.197(16) 1 calc R U P A 2
C29B C -0.010(2) 0.3936(18) 0.6238(15) 0.0332(11) Uani 0.197(16) 1 d G . P A 2
H29B H -0.0188 0.4261 0.6644 0.040 Uiso 0.197(16) 1 calc R U P A 2
C30B C -0.034(2) 0.4130(18) 0.5529(18) 0.0332(11) Uani 0.197(16) 1 d G . P A 2
H30B H -0.0593 0.4584 0.5461 0.040 Uiso 0.197(16) 1 calc R U P A 2
C31B C -0.020(2) 0.364(2) 0.4921(15) 0.0332(11) Uani 0.197(16) 1 d G . P A 2
H31B H -0.0361 0.3773 0.4447 0.040 Uiso 0.197(16) 1 calc R U P A 2
B1 B 0.0000 0.4584(6) 0.2500 0.029(3) Uani 1 2 d S T P . .
F3 F 0.5543(7) 0.3160(8) 0.2168(11) 0.189(6) Uani 1 1 d D . . . .
F4 F 0.4723(8) 0.3979(7) 0.1980(9) 0.189(6) Uani 1 1 d D . . . .
B2 B 0.5000 0.3527(10) 0.2500 0.112(12) Uani 1 2 d DS TU P . .


_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 F1 2.318(5) . ?
Ag1 P2 2.522(2) 4 ?
Ag1 P1 2.567(2) . ?
Ag1 Ag1 3.0754(13) 4 ?
P1 C14A 1.738(8) . ?
P1 C8A 1.773(8) . ?
P1 N1 1.783(7) . ?
P2 C25A 1.511(5) . ?
P2 C20B 1.667(5) . ?
P2 C26A 1.830(6) . ?
P2 C26B 1.84(2) . ?
P2 N1 1.880(7) . ?
P2 Ag1 2.522(2) 4 ?
F1 B1 1.387(8) . ?
F2 B1 1.413(7) . ?
O1 C7 1.238(10) . ?
O1 C4 1.520(7) . ?
N1 C1 1.584(7) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2 0.9300 . ?
C3 C4 1.3900 . ?
C3 H3 0.9300 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8A C9A 1.371(12) . ?
C8A C13A 1.505(12) . ?
C9A C10A 1.316(13) . ?
C9A H9A 0.9300 . ?
C10A C11A 1.507(15) . ?
C10A H10A 0.9300 . ?
C11A C12A 1.341(15) . ?
C11A H11A 0.9300 . ?
C12A C13A 1.329(13) . ?
C12A H12A 0.9300 . ?
C13A H13A 0.9300 . ?
C14A C19A 1.352(13) . ?
C14A C15A 1.503(13) . ?
C15A C16A 1.294(13) . ?
C15A H15A 0.9300 . ?
C16A C17A 1.352(17) . ?
C16A H16A 0.9300 . ?
C17A C18A 1.493(18) . ?
C17A H17A 0.9300 . ?
C18A C19A 1.287(13) . ?
C18A H18A 0.9300 . ?
C19A H19A 0.9300 . ?
C20A C21A 1.3900 . ?
C20A C25A 1.3900 . ?
C20A H20A 0.9300 . ?
C21A C22A 1.3900 . ?
C21A H21A 0.9300 . ?
C22A C23A 1.3900 . ?
C22A H22A 0.9300 . ?
C23A C24A 1.3900 . ?
C23A H23A 0.9300 . ?
C24A C25A 1.3900 . ?
C24A H24A 0.9300 . ?
C20B C21B 1.3900 . ?
C20B C25B 1.3900 . ?
C21B C22B 1.3900 . ?
C21B H21B 0.9300 . ?
C22B C23B 1.3900 . ?
C22B H22B 0.9300 . ?
C23B C24B 1.3900 . ?
C23B H23B 0.9300 . ?
C24B C25B 1.3900 . ?
C24B H24B 0.9300 . ?
C25B H25B 0.9300 . ?
C26A C27A 1.3900 . ?
C26A C31A 1.3900 . ?
C27A C28A 1.3900 . ?
C27A H27A 0.9300 . ?
C28A C29A 1.3900 . ?
C28A H28A 0.9300 . ?
C29A C30A 1.3900 . ?
C29A H29A 0.9300 . ?
C30A C31A 1.3900 . ?
C30A H30A 0.9300 . ?
C31A H31A 0.9300 . ?
C26B C27B 1.3900 . ?
C26B C31B 1.3900 . ?
C27B C28B 1.3900 . ?
C27B H27B 0.9300 . ?
C28B C29B 1.3900 . ?
C28B H28B 0.9300 . ?
C29B C30B 1.3900 . ?
C29B H29B 0.9300 . ?
C30B C31B 1.3900 . ?
C30B H30B 0.9300 . ?
C31B H31B 0.9300 . ?
B1 F1 1.387(8) 4 ?
B1 F2 1.413(7) 4 ?
F3 B2 1.369(12) . ?
F4 B2 1.322(13) . ?
B2 F4 1.322(13) 4_655 ?
B2 F3 1.369(12) 4_655 ?

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
F1 Ag1 P2 87.52(17) . 4 ?
F1 Ag1 P1 115.16(17) . . ?
P2 Ag1 P1 157.15(6) 4 . ?
F1 Ag1 Ag1 75.35(16) . 4 ?
P2 Ag1 Ag1 89.27(5) 4 4 ?
P1 Ag1 Ag1 93.70(5) . 4 ?
C14A P1 C8A 95.8(4) . . ?
C14A P1 N1 104.2(4) . . ?
C8A P1 N1 110.9(3) . . ?
C14A P1 Ag1 121.0(3) . . ?
C8A P1 Ag1 110.4(3) . . ?
N1 P1 Ag1 113.1(2) . . ?
C25A P2 C26A 94.3(4) . . ?
C20B P2 C26B 104.8(14) . . ?
C25A P2 N1 112.6(3) . . ?
C20B P2 N1 109.5(3) . . ?
C26A P2 N1 103.4(4) . . ?
C26B P2 N1 101.4(14) . . ?
C25A P2 Ag1 101.1(3) . 4 ?
C20B P2 Ag1 98.9(2) . 4 ?
C26A P2 Ag1 124.8(3) . 4 ?
C26B P2 Ag1 123.3(13) . 4 ?
N1 P2 Ag1 117.9(2) . 4 ?
B1 F1 Ag1 119.6(5) . . ?
C7 O1 C4 112.2(7) . . ?
C1 N1 P1 113.9(5) . . ?
C1 N1 P2 121.9(4) . . ?
P1 N1 P2 124.1(3) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 N1 127.4(4) . . ?
C6 C1 N1 112.6(4) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 O1 129.7(4) . . ?
C3 C4 O1 110.3(4) . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9A C8A C13A 123.9(7) . . ?
C9A C8A P1 108.7(6) . . ?
C13A C8A P1 127.2(6) . . ?
C10A C9A C8A 112.5(9) . . ?
C10A C9A H9A 123.7 . . ?
C8A C9A H9A 123.7 . . ?
C9A C10A C11A 122.8(9) . . ?
C9A C10A H10A 118.6 . . ?
C11A C10A H10A 118.6 . . ?
C12A C11A C10A 125.5(9) . . ?
C12A C11A H11A 117.3 . . ?
C10A C11A H11A 117.3 . . ?
C13A C12A C11A 112.1(9) . . ?
C13A C12A H12A 123.9 . . ?
C11A C12A H12A 123.9 . . ?
C12A C13A C8A 123.1(9) . . ?
C12A C13A H13A 118.4 . . ?
C8A C13A H13A 118.4 . . ?
C19A C14A C15A 126.6(8) . . ?
C19A C14A P1 107.1(7) . . ?
C15A C14A P1 125.8(6) . . ?
C16A C15A C14A 123.4(10) . . ?
C16A C15A H15A 118.3 . . ?
C14A C15A H15A 118.3 . . ?
C15A C16A C17A 109.0(11) . . ?
C15A C16A H16A 125.5 . . ?
C17A C16A H16A 125.5 . . ?
C16A C17A C18A 128.1(9) . . ?
C16A C17A H17A 115.9 . . ?
C18A C17A H17A 115.9 . . ?
C19A C18A C17A 122.6(10) . . ?
C19A C18A H18A 118.7 . . ?
C17A C18A H18A 118.7 . . ?
C18A C19A C14A 110.2(10) . . ?
C18A C19A H19A 124.9 . . ?
C14A C19A H19A 124.9 . . ?
C21A C20A C25A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C25A C20A H20A 120.0 . . ?
C20A C21A C22A 120.0 . . ?
C20A C21A H21A 120.0 . . ?
C22A C21A H21A 120.0 . . ?
C23A C22A C21A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
C21A C22A H22A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C25A C24A C23A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C24A C25A C20A 120.0 . . ?
C24A C25A P2 129.4(4) . . ?
C20A C25A P2 109.8(4) . . ?
C21B C20B C25B 120.0 . . ?
C21B C20B P2 104.9(3) . . ?
C25B C20B P2 134.1(3) . . ?
C20B C21B C22B 120.0 . . ?
C20B C21B H21B 120.0 . . ?
C22B C21B H21B 120.0 . . ?
C23B C22B C21B 120.0 . . ?
C23B C22B H22B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
C24B C23B C22B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C23B C24B C25B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C25B C24B H24B 120.0 . . ?
C24B C25B C20B 120.0 . . ?
C24B C25B H25B 120.0 . . ?
C20B C25B H25B 120.0 . . ?
C27A C26A C31A 120.0 . . ?
C27A C26A P2 129.9(5) . . ?
C31A C26A P2 109.3(5) . . ?
C26A C27A C28A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
C29A C28A C27A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
C30A C29A C28A 120.0 . . ?
C30A C29A H29A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C29A C30A C31A 120.0 . . ?
C29A C30A H30A 120.0 . . ?
C31A C30A H30A 120.0 . . ?
C30A C31A C26A 120.0 . . ?
C30A C31A H31A 120.0 . . ?
C26A C31A H31A 120.0 . . ?
C27B C26B C31B 120.0 . . ?
C27B C26B P2 136(2) . . ?
C31B C26B P2 104(2) . . ?
C26B C27B C28B 120.0 . . ?
C26B C27B H27B 120.0 . . ?
C28B C27B H27B 120.0 . . ?
C29B C28B C27B 120.0 . . ?
C29B C28B H28B 120.0 . . ?
C27B C28B H28B 120.0 . . ?
C28B C29B C30B 120.0 . . ?
C28B C29B H29B 120.0 . . ?
C30B C29B H29B 120.0 . . ?
C31B C30B C29B 120.0 . . ?
C31B C30B H30B 120.0 . . ?
C29B C30B H30B 120.0 . . ?
C30B C31B C26B 120.0 . . ?
C30B C31B H31B 120.0 . . ?
C26B C31B H31B 120.0 . . ?
F1 B1 F1 117.5(9) . 4 ?
F1 B1 F2 104.0(4) . 4 ?
F1 B1 F2 105.5(4) 4 4 ?
F1 B1 F2 105.5(4) . . ?
F1 B1 F2 104.0(4) 4 . ?
F2 B1 F2 121.2(9) 4 . ?
F4 B2 F4 109(2) . 4_655 ?
F4 B2 F3 104.5(11) . 4_655 ?
F4 B2 F3 106.4(9) 4_655 4_655 ?
F4 B2 F3 106.4(9) . . ?
F4 B2 F3 104.5(11) 4_655 . ?
F3 B2 F3 125.6(18) 4_655 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14A P1 N1 C1 -55.2(5) . . . . ?
C8A P1 N1 C1 46.8(5) . . . . ?
Ag1 P1 N1 C1 171.5(3) . . . . ?
C14A P1 N1 P2 120.3(4) . . . . ?
C8A P1 N1 P2 -137.7(4) . . . . ?
Ag1 P1 N1 P2 -13.0(4) . . . . ?
C25A P2 N1 C1 -64.3(5) . . . . ?
C20B P2 N1 C1 -69.5(5) . . . . ?
C26A P2 N1 C1 36.3(6) . . . . ?
C26B P2 N1 C1 40.8(14) . . . . ?
Ag1 P2 N1 C1 178.6(3) 4 . . . ?
C25A P2 N1 P1 120.6(4) . . . . ?
C20B P2 N1 P1 115.3(4) . . . . ?
C26A P2 N1 P1 -138.9(5) . . . . ?
C26B P2 N1 P1 -134.4(13) . . . . ?
Ag1 P2 N1 P1 3.4(5) 4 . . . ?
P1 N1 C1 C2 81.2(6) . . . . ?
P2 N1 C1 C2 -94.4(5) . . . . ?
P1 N1 C1 C6 -98.3(4) . . . . ?
P2 N1 C1 C6 86.0(5) . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
N1 C1 C2 C3 -179.5(6) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C2 C3 C4 O1 179.7(6) . . . . ?
C7 O1 C4 C5 -9.9(11) . . . . ?
C7 O1 C4 C3 170.5(8) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
O1 C4 C5 C6 -179.6(7) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
N1 C1 C6 C5 179.6(5) . . . . ?
C14A P1 C8A C9A -148.5(6) . . . . ?
N1 P1 C8A C9A 103.9(6) . . . . ?
Ag1 P1 C8A C9A -22.4(7) . . . . ?
C14A P1 C8A C13A 35.6(8) . . . . ?
N1 P1 C8A C13A -71.9(8) . . . . ?
Ag1 P1 C8A C13A 161.8(7) . . . . ?
C13A C8A C9A C10A -1.3(13) . . . . ?
P1 C8A C9A C10A -177.3(7) . . . . ?
C8A C9A C10A C11A 1.2(14) . . . . ?
C9A C10A C11A C12A 0.0(17) . . . . ?
C10A C11A C12A C13A -1.1(15) . . . . ?
C11A C12A C13A C8A 0.9(14) . . . . ?
C9A C8A C13A C12A 0.3(14) . . . . ?
P1 C8A C13A C12A 175.5(8) . . . . ?
C8A P1 C14A C19A -160.7(6) . . . . ?
N1 P1 C14A C19A -47.4(7) . . . . ?
Ag1 P1 C14A C19A 81.3(7) . . . . ?
C8A P1 C14A C15A 26.7(8) . . . . ?
N1 P1 C14A C15A 140.0(7) . . . . ?
Ag1 P1 C14A C15A -91.3(7) . . . . ?
C19A C14A C15A C16A 0.9(16) . . . . ?
P1 C14A C15A C16A 172.1(9) . . . . ?
C14A C15A C16A C17A -1.1(15) . . . . ?
C15A C16A C17A C18A 0.4(17) . . . . ?
C16A C17A C18A C19A 0.7(19) . . . . ?
C17A C18A C19A C14A -0.9(15) . . . . ?
C15A C14A C19A C18A 0.2(14) . . . . ?
P1 C14A C19A C18A -172.3(7) . . . . ?
C25A C20A C21A C22A 0.0 . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C22A C23A C24A C25A 0.0 . . . . ?
C23A C24A C25A C20A 0.0 . . . . ?
C23A C24A C25A P2 169.0(7) . . . . ?
C21A C20A C25A C24A 0.0 . . . . ?
C21A C20A C25A P2 -171.0(5) . . . . ?
C26A P2 C25A C24A 28.5(6) . . . . ?
N1 P2 C25A C24A 135.0(5) . . . . ?
Ag1 P2 C25A C24A -98.2(5) 4 . . . ?
C26A P2 C25A C20A -161.6(5) . . . . ?
N1 P2 C25A C20A -55.1(4) . . . . ?
Ag1 P2 C25A C20A 71.7(3) 4 . . . ?
C26B P2 C20B C21B -158.7(14) . . . . ?
N1 P2 C20B C21B -50.7(4) . . . . ?
Ag1 P2 C20B C21B 73.3(3) 4 . . . ?
C26B P2 C20B C25B 33.7(15) . . . . ?
N1 P2 C20B C25B 141.8(5) . . . . ?
Ag1 P2 C20B C25B -94.3(5) 4 . . . ?
C25B C20B C21B C22B 0.0 . . . . ?
P2 C20B C21B C22B -169.7(5) . . . . ?
C20B C21B C22B C23B 0.0 . . . . ?
C21B C22B C23B C24B 0.0 . . . . ?
C22B C23B C24B C25B 0.0 . . . . ?
C23B C24B C25B C20B 0.0 . . . . ?
C21B C20B C25B C24B 0.0 . . . . ?
P2 C20B C25B C24B 166.1(6) . . . . ?
C25A P2 C26A C27A 50.2(7) . . . . ?
N1 P2 C26A C27A -64.3(6) . . . . ?
Ag1 P2 C26A C27A 156.8(4) 4 . . . ?
C25A P2 C26A C31A -140.4(5) . . . . ?
N1 P2 C26A C31A 105.1(5) . . . . ?
Ag1 P2 C26A C31A -33.7(6) 4 . . . ?
C31A C26A C27A C28A 0.0 . . . . ?
P2 C26A C27A C28A 168.5(8) . . . . ?
C26A C27A C28A C29A 0.0 . . . . ?
C27A C28A C29A C30A 0.0 . . . . ?
C28A C29A C30A C31A 0.0 . . . . ?
C29A C30A C31A C26A 0.0 . . . . ?
C27A C26A C31A C30A 0.0 . . . . ?
P2 C26A C31A C30A -170.6(7) . . . . ?
C20B P2 C26B C27B 51(3) . . . . ?
N1 P2 C26B C27B -63(3) . . . . ?
Ag1 P2 C26B C27B 162(2) 4 . . . ?
C20B P2 C26B C31B -125.3(16) . . . . ?
N1 P2 C26B C31B 120.8(17) . . . . ?
Ag1 P2 C26B C31B -14(2) 4 . . . ?
C31B C26B C27B C28B 0.0 . . . . ?
P2 C26B C27B C28B -176(4) . . . . ?
C26B C27B C28B C29B 0.0 . . . . ?
C27B C28B C29B C30B 0.0 . . . . ?
C28B C29B C30B C31B 0.0 . . . . ?
C29B C30B C31B C26B 0.0 . . . . ?
C27B C26B C31B C30B 0.0 . . . . ?
P2 C26B C31B C30B 177(3) . . . . ?
Ag1 F1 B1 F1 -27.1(2) . . . 4 ?
Ag1 F1 B1 F2 89.0(7) . . . 4 ?
Ag1 F1 B1 F2 -142.4(5) . . . . ?

_refine_diff_density_max         3.046
_refine_diff_density_min         -2.184
_refine_diff_density_rms         0.219

_shelxl_version_number           2014/6

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_h-m   'P b c n'
_symmetry_int_tables_number      60
_chemical_absolute_configuration ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_2a
_database_code_depnum_ccdc_archive 'CCDC 1497150'
_audit_update_record             
;
2016-08-01 deposited with the CCDC.
2017-03-10 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT220_shelxl              
;
PROBLEM: Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        5.1 Ratio 
RESPONSE: There is an important motion of libration assoaciated with the 
different phenyl rings of the structure.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C60 H50 Ag N2 P4, B F4 '
_chemical_formula_sum            'C60 H50 Ag B F4 N2 P4'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Acetone / pentane'
_chemical_melting_point          ?

_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless

_diffrn_ambient_temperature      173(2)
_chemical_formula_weight         1117.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_int_tables_number      4
_chemical_absolute_configuration unk

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

_cell_length_a                   9.9021(3)
_cell_length_b                   19.5151(9)
_cell_length_c                   14.0811(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.519(2)
_cell_angle_gamma                90.00
_cell_volume                     2683.57(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    49775
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1144
_exptl_absorpt_coefficient_mu    0.549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8181
_exptl_absorpt_correction_T_max  0.9731
_exptl_absorpt_process_details   
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;

_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24752
_diffrn_reflns_av_R_equivalents  0.0869
_diffrn_reflns_av_unetI/netI     0.1148
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.33
_diffrn_reflns_theta_max         26.00
_reflns_number_total             10058
_reflns_number_gt                7518
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'sir 92'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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. As stated in the validation 
 reply form, there are pronounced librations of the phenyl rings. The BF4 anion
 is disordered but could be refined with two defined positions (ratio 56/44 %).
;

_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)+(0.0195P)²+8.3779P] 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 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_number_reflns         10058
_refine_ls_number_parameters     644
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.1098
_refine_ls_R_factor_gt           0.0755
_refine_ls_wR_factor_ref         0.1300
_refine_ls_wR_factor_gt          0.1198
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.011
_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
C1 C 0.3217(6) 0.6787(4) 0.4149(5) 0.0228(16) Uani 1 1 d . . .
C2 C 0.4255(7) 0.6490(4) 0.3719(5) 0.036(2) Uani 1 1 d . . .
H2 H 0.4044 0.6304 0.3105 0.044 Uiso 1 1 calc R . .
C3 C 0.5585(7) 0.6470(5) 0.4198(6) 0.049(2) Uani 1 1 d . . .
H3 H 0.6270 0.6275 0.3907 0.058 Uiso 1 1 calc R . .
C4 C 0.5892(9) 0.6742(5) 0.5113(7) 0.051(2) Uani 1 1 d . . .
H4 H 0.6786 0.6728 0.5444 0.061 Uiso 1 1 calc R . .
C5 C 0.4876(8) 0.7034(5) 0.5535(6) 0.047(2) Uani 1 1 d . . .
H5 H 0.5091 0.7224 0.6147 0.056 Uiso 1 1 calc R . .
C6 C 0.3547(8) 0.7050(4) 0.5063(5) 0.038(2) Uani 1 1 d . . .
H6 H 0.2866 0.7239 0.5364 0.046 Uiso 1 1 calc R . .
C7 C 0.0594(7) 0.7458(4) 0.3927(5) 0.0278(17) Uani 1 1 d . . .
C8 C -0.0815(8) 0.7409(4) 0.3976(6) 0.037(2) Uani 1 1 d . . .
H8 H -0.1264 0.6991 0.3858 0.045 Uiso 1 1 calc R . .
C9 C -0.1533(10) 0.7980(5) 0.4198(7) 0.052(2) Uani 1 1 d . . .
H9 H -0.2456 0.7945 0.4246 0.062 Uiso 1 1 calc R . .
C10 C -0.0867(11) 0.8598(5) 0.4347(6) 0.057(3) Uani 1 1 d . . .
H10 H -0.1344 0.8982 0.4501 0.069 Uiso 1 1 calc R . .
C11 C 0.0491(11) 0.8657(4) 0.4272(6) 0.053(2) Uani 1 1 d . . .
H11 H 0.0919 0.9083 0.4351 0.063 Uiso 1 1 calc R . .
C12 C 0.1229(9) 0.8084(4) 0.4078(6) 0.037(2) Uani 1 1 d . . .
H12 H 0.2157 0.8124 0.4051 0.045 Uiso 1 1 calc R . .
C13 C 0.0747(8) 0.5821(4) 0.4835(5) 0.0299(18) Uani 1 1 d . . .
C14 C 0.1907(9) 0.5608(4) 0.5442(6) 0.040(2) Uani 1 1 d . . .
H14 H 0.2741 0.5588 0.5221 0.048 Uiso 1 1 calc R . .
C15 C 0.1832(11) 0.5420(4) 0.6395(6) 0.054(3) Uani 1 1 d . . .
H15 H 0.2614 0.5281 0.6809 0.065 Uiso 1 1 calc R . .
C16 C 0.0596(13) 0.5444(5) 0.6707(7) 0.063(3) Uani 1 1 d . . .
H16 H 0.0541 0.5312 0.7335 0.076 Uiso 1 1 calc R . .
C17 C -0.0553(12) 0.5656(5) 0.6114(7) 0.055(3) Uani 1 1 d . . .
H17 H -0.1381 0.5673 0.6343 0.066 Uiso 1 1 calc R . .
C18 C -0.0503(9) 0.5847(4) 0.5176(6) 0.041(2) Uani 1 1 d . . .
H18 H -0.1293 0.5991 0.4774 0.049 Uiso 1 1 calc R . .
C19 C -0.1510(7) 0.5244(4) 0.2785(6) 0.0289(18) Uani 1 1 d . . .
C20 C -0.2378(8) 0.5415(4) 0.1956(7) 0.048(2) Uani 1 1 d . . .
H20 H -0.2049 0.5663 0.1478 0.057 Uiso 1 1 calc R . .
C21 C -0.3748(9) 0.5220(6) 0.1825(9) 0.069(4) Uani 1 1 d . . .
H21 H -0.4321 0.5318 0.1249 0.082 Uiso 1 1 calc R . .
C22 C -0.4244(9) 0.4887(5) 0.2536(9) 0.061(3) Uani 1 1 d . . .
H22 H -0.5168 0.4771 0.2449 0.073 Uiso 1 1 calc R . .
C23 C -0.3411(10) 0.4715(5) 0.3387(7) 0.054(3) Uani 1 1 d . . .
H23 H -0.3767 0.4492 0.3874 0.065 Uiso 1 1 calc R . .
C24 C -0.2027(8) 0.4881(4) 0.3502(6) 0.041(2) Uani 1 1 d . . .
H24 H -0.1443 0.4749 0.4058 0.049 Uiso 1 1 calc R . .
C25 C 0.1137(7) 0.4653(4) 0.3161(5) 0.0277(17) Uani 1 1 d . . .
C26 C 0.0490(8) 0.4042(4) 0.2862(6) 0.039(2) Uani 1 1 d . . .
H26 H -0.0415 0.4050 0.2551 0.047 Uiso 1 1 calc R . .
C27 C 0.1162(10) 0.3427(4) 0.3018(7) 0.049(2) Uani 1 1 d . . .
H27 H 0.0715 0.3023 0.2800 0.059 Uiso 1 1 calc R . .
C28 C 0.2497(9) 0.3402(4) 0.3494(6) 0.046(2) Uani 1 1 d . . .
H28 H 0.2944 0.2984 0.3609 0.055 Uiso 1 1 calc R . .
C29 C 0.3159(9) 0.4002(5) 0.3798(6) 0.047(2) Uani 1 1 d . . .
H29 H 0.4057 0.3989 0.4122 0.056 Uiso 1 1 calc R . .
C30 C 0.2500(8) 0.4627(4) 0.3625(6) 0.040(2) Uani 1 1 d . . .
H30 H 0.2964 0.5031 0.3818 0.048 Uiso 1 1 calc R . .
C31 C 0.3302(7) 0.5749(4) -0.0044(6) 0.0313(18) Uani 1 1 d . . .
C32 C 0.2969(9) 0.5096(4) 0.0230(8) 0.056(3) Uani 1 1 d . . .
H32 H 0.2489 0.5037 0.0738 0.068 Uiso 1 1 calc R . .
C33 C 0.3357(12) 0.4534(5) -0.0259(10) 0.080(4) Uani 1 1 d . . .
H33 H 0.3110 0.4096 -0.0089 0.096 Uiso 1 1 calc R . .
C34 C 0.4097(11) 0.4613(5) -0.0987(10) 0.081(4) Uani 1 1 d . . .
H34 H 0.4404 0.4231 -0.1283 0.097 Uiso 1 1 calc R . .
C35 C 0.4382(8) 0.5254(6) -0.1277(7) 0.057(3) Uani 1 1 d . . .
H35 H 0.4849 0.5307 -0.1793 0.068 Uiso 1 1 calc R . .
C36 C 0.3994(8) 0.5823(4) -0.0819(6) 0.041(2) Uani 1 1 d . . .
H36 H 0.4192 0.6258 -0.1028 0.049 Uiso 1 1 calc R . .
C37 C 0.4239(7) 0.6990(4) 0.1055(5) 0.0288(18) Uani 1 1 d . . .
C38 C 0.5551(7) 0.6855(4) 0.0894(6) 0.037(2) Uani 1 1 d . . .
H38 H 0.5717 0.6495 0.0497 0.044 Uiso 1 1 calc R . .
C39 C 0.6612(9) 0.7262(5) 0.1331(7) 0.051(2) Uani 1 1 d . . .
H39 H 0.7502 0.7165 0.1243 0.061 Uiso 1 1 calc R . .
C40 C 0.6375(10) 0.7813(5) 0.1898(7) 0.048(3) Uani 1 1 d . . .
H40 H 0.7097 0.8095 0.2164 0.058 Uiso 1 1 calc R . .
C41 C 0.5076(9) 0.7943(4) 0.2069(6) 0.040(2) Uani 1 1 d . . .
H41 H 0.4914 0.8304 0.2466 0.048 Uiso 1 1 calc R . .
C42 C 0.4007(8) 0.7530(4) 0.1642(6) 0.0345(19) Uani 1 1 d . . .
H42 H 0.3122 0.7617 0.1752 0.041 Uiso 1 1 calc R . .
C43 C 0.2003(7) 0.7268(4) -0.0987(5) 0.0293(18) Uani 1 1 d . . .
C44 C 0.1602(8) 0.6975(4) -0.1880(5) 0.037(2) Uani 1 1 d . . .
H44 H 0.1103 0.6569 -0.1938 0.045 Uiso 1 1 calc R . .
C45 C 0.1943(10) 0.7286(5) -0.2682(6) 0.050(2) Uani 1 1 d . . .
H45 H 0.1656 0.7089 -0.3283 0.061 Uiso 1 1 calc R . .
C46 C 0.2682(10) 0.7868(5) -0.2621(7) 0.053(3) Uani 1 1 d . . .
H46 H 0.2912 0.8064 -0.3175 0.064 Uiso 1 1 calc R . .
C47 C 0.3106(9) 0.8179(5) -0.1728(7) 0.049(2) Uani 1 1 d . . .
H47 H 0.3611 0.8583 -0.1679 0.059 Uiso 1 1 calc R . .
C48 C 0.2751(8) 0.7869(4) -0.0909(6) 0.039(2) Uani 1 1 d . . .
H48 H 0.3020 0.8068 -0.0308 0.046 Uiso 1 1 calc R . .
C49 C 0.0113(7) 0.8026(4) 0.0483(5) 0.0291(17) Uani 1 1 d . . .
C50 C 0.0046(9) 0.8486(5) -0.0275(7) 0.042(2) Uani 1 1 d . . .
H50 H -0.0078 0.8331 -0.0908 0.050 Uiso 1 1 calc R . .
C51 C 0.0167(12) 0.9176(5) -0.0070(9) 0.066(3) Uani 1 1 d . . .
H51 H 0.0126 0.9495 -0.0565 0.079 Uiso 1 1 calc R . .
C52 C 0.0350(17) 0.9388(6) 0.0877(10) 0.117(6) Uani 1 1 d . . .
H52 H 0.0439 0.9854 0.1016 0.140 Uiso 1 1 calc R . .
C53 C 0.0401(15) 0.8932(6) 0.1612(9) 0.106(5) Uani 1 1 d . . .
H53 H 0.0532 0.9085 0.2246 0.127 Uiso 1 1 calc R . .
C54 C 0.0259(10) 0.8251(5) 0.1417(6) 0.052(3) Uani 1 1 d . . .
H54 H 0.0261 0.7939 0.1916 0.063 Uiso 1 1 calc R . .
C55 C -0.1227(7) 0.6909(4) -0.0686(5) 0.0286(18) Uani 1 1 d . . .
C56 C -0.1251(8) 0.6268(6) -0.1083(6) 0.047(2) Uani 1 1 d . . .
H56 H -0.0530 0.5970 -0.0872 0.057 Uiso 1 1 calc R . .
C57 C -0.2307(9) 0.6047(5) -0.1786(6) 0.054(3) Uani 1 1 d . . .
H57 H -0.2293 0.5612 -0.2053 0.065 Uiso 1 1 calc R . .
C58 C -0.3386(9) 0.6492(6) -0.2082(6) 0.051(3) Uani 1 1 d . . .
H58 H -0.4107 0.6355 -0.2553 0.061 Uiso 1 1 calc R . .
C59 C -0.3396(9) 0.7136(5) -0.1682(7) 0.054(2) Uani 1 1 d . . .
H59 H -0.4125 0.7432 -0.1879 0.064 Uiso 1 1 calc R . .
C60 C -0.2317(8) 0.7342(4) -0.0986(6) 0.041(2) Uani 1 1 d . . .
H60 H -0.2326 0.7777 -0.0717 0.049 Uiso 1 1 calc R . .
N1 N 0.0777(6) 0.5993(3) 0.3836(4) 0.0264(14) Uani 1 1 d . . .
N2 N 0.1651(6) 0.6943(3) -0.0136(4) 0.0257(14) Uani 1 1 d . . .
F1A F 0.3036(15) 0.9747(9) 0.3288(13) 0.123(2) Uani 0.443(8) 1 d PD A 1
F2A F 0.4131(18) 0.8964(8) 0.4253(13) 0.123(2) Uani 0.443(8) 1 d PD A 1
F4A F 0.4762(16) 1.0008(10) 0.4512(11) 0.123(2) Uani 0.443(8) 1 d PD A 1
P1 P 0.14771(18) 0.67387(10) 0.34832(13) 0.0245(4) Uani 1 1 d . . .
P2 P 0.02867(18) 0.54713(10) 0.28680(13) 0.0247(4) Uani 1 1 d . . .
P3 P 0.27374(17) 0.64462(11) 0.06471(12) 0.0252(4) Uani 1 1 d . . .
P4 P 0.01474(18) 0.71013(10) 0.03064(13) 0.0251(4) Uani 1 1 d . . .
Ag1 Ag 0.10288(5) 0.63420(3) 0.17547(3) 0.02888(14) Uani 1 1 d . . .
B1 B 0.4272(10) 0.9582(5) 0.3750(8) 0.074(4) Uani 1 1 d D . .
F2B F 0.3700(15) 0.9317(9) 0.4462(9) 0.123(2) Uani 0.557(8) 1 d PD A 2
F4B F 0.4510(14) 1.0276(6) 0.3741(11) 0.123(2) Uani 0.557(8) 1 d PD A 2
F1B F 0.3444(16) 0.9463(8) 0.2857(8) 0.123(2) Uani 0.557(8) 1 d PD A 2
F3B F 0.5481(14) 0.9248(7) 0.3690(12) 0.123(2) Uani 0.557(8) 1 d PD A 2
F3A F 0.5342(18) 0.9457(10) 0.3267(12) 0.123(2) Uani 0.443(8) 1 d PD A 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
C1 C6 1.373(10) . ?
C1 C2 1.402(9) . ?
C1 P1 1.822(7) . ?
C2 C3 1.376(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.375(10) . ?
C7 C8 1.412(10) . ?
C7 P1 1.818(7) . ?
C8 C9 1.385(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.374(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.371(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(11) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.378(10) . ?
C13 C18 1.400(10) . ?
C13 N1 1.452(9) . ?
C14 C15 1.404(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.367(13) . ?
C15 H15 0.9300 . ?
C16 C17 1.361(14) . ?
C16 H16 0.9300 . ?
C17 C18 1.381(11) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.371(11) . ?
C19 C24 1.399(10) . ?
C19 P2 1.818(7) . ?
C20 C21 1.392(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.352(14) . ?
C21 H21 0.9300 . ?
C22 C23 1.380(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.391(11) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.384(10) . ?
C25 C30 1.399(10) . ?
C25 P2 1.821(7) . ?
C26 C27 1.374(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.381(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.375(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.385(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.387(11) . ?
C31 C36 1.389(10) . ?
C31 P3 1.814(7) . ?
C32 C33 1.383(12) . ?
C32 H32 0.9300 . ?
C33 C34 1.364(15) . ?
C33 H33 0.9300 . ?
C34 C35 1.359(13) . ?
C34 H34 0.9300 . ?
C35 C36 1.371(11) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.381(10) . ?
C37 C42 1.381(10) . ?
C37 P3 1.839(8) . ?
C38 C39 1.379(11) . ?
C38 H38 0.9300 . ?
C39 C40 1.381(13) . ?
C39 H39 0.9300 . ?
C40 C41 1.370(12) . ?
C40 H40 0.9300 . ?
C41 C42 1.387(11) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.378(10) . ?
C43 C48 1.382(10) . ?
C43 N2 1.448(8) . ?
C44 C45 1.373(11) . ?
C44 H44 0.9300 . ?
C45 C46 1.348(13) . ?
C45 H45 0.9300 . ?
C46 C47 1.397(13) . ?
C46 H46 0.9300 . ?
C47 C48 1.398(11) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C54 1.371(10) . ?
C49 C50 1.386(11) . ?
C49 P4 1.823(7) . ?
C50 C51 1.379(11) . ?
C50 H50 0.9300 . ?
C51 C52 1.380(16) . ?
C51 H51 0.9300 . ?
C52 C53 1.360(16) . ?
C52 H52 0.9300 . ?
C53 C54 1.359(13) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C56 1.368(12) . ?
C55 C60 1.380(10) . ?
C55 P4 1.821(7) . ?
C56 C57 1.385(11) . ?
C56 H56 0.9300 . ?
C57 C58 1.386(12) . ?
C57 H57 0.9300 . ?
C58 C59 1.379(13) . ?
C58 H58 0.9300 . ?
C59 C60 1.384(11) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
N1 P2 1.706(6) . ?
N1 P1 1.721(6) . ?
N2 P3 1.710(6) . ?
N2 P4 1.734(5) . ?
F1A B1 1.327(12) . ?
F2A B1 1.418(12) . ?
F4A B1 1.381(12) . ?
P1 Ag1 2.5225(19) . ?
P2 Ag1 2.5033(19) . ?
P3 Ag1 2.4917(17) . ?
P4 Ag1 2.5548(19) . ?
B1 F2B 1.334(11) . ?
B1 F3A 1.372(12) . ?
B1 F4B 1.375(11) . ?
B1 F3B 1.378(11) . ?
B1 F1B 1.402(12) . ?

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
C6 C1 C2 118.7(6) . . ?
C6 C1 P1 124.0(5) . . ?
C2 C1 P1 117.1(5) . . ?
C3 C2 C1 120.7(7) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 119.4(8) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 119.9(8) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.8(8) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 120.4(7) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C12 C7 C8 118.8(7) . . ?
C12 C7 P1 120.4(6) . . ?
C8 C7 P1 120.0(6) . . ?
C9 C8 C7 120.4(8) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 119.3(9) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.9(8) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 120.1(9) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 120.4(8) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C18 119.5(7) . . ?
C14 C13 N1 121.5(7) . . ?
C18 C13 N1 118.9(7) . . ?
C13 C14 C15 120.0(8) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 119.4(9) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C17 C16 C15 121.0(8) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 120.7(9) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 119.4(9) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C20 C19 C24 119.0(7) . . ?
C20 C19 P2 117.7(6) . . ?
C24 C19 P2 123.2(6) . . ?
C19 C20 C21 120.4(8) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 120.0(10) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 121.4(9) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C22 C23 C24 118.7(8) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C23 C24 C19 120.4(8) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
C26 C25 C30 118.3(7) . . ?
C26 C25 P2 120.8(6) . . ?
C30 C25 P2 120.7(6) . . ?
C27 C26 C25 121.1(8) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 120.5(8) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 119.4(8) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 120.5(8) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 120.2(8) . . ?
C29 C30 H30 119.9 . . ?
C25 C30 H30 119.9 . . ?
C32 C31 C36 119.0(7) . . ?
C32 C31 P3 115.5(6) . . ?
C36 C31 P3 125.4(6) . . ?
C33 C32 C31 119.5(9) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C32 120.8(10) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C35 C34 C33 119.6(9) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 121.1(9) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C31 119.9(8) . . ?
C35 C36 H36 120.1 . . ?
C31 C36 H36 120.1 . . ?
C38 C37 C42 119.8(7) . . ?
C38 C37 P3 125.0(6) . . ?
C42 C37 P3 114.9(5) . . ?
C39 C38 C37 119.0(8) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C38 C39 C40 121.1(8) . . ?
C38 C39 H39 119.4 . . ?
C40 C39 H39 119.4 . . ?
C41 C40 C39 119.9(9) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C42 119.2(8) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
C37 C42 C41 120.8(7) . . ?
C37 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C48 119.6(7) . . ?
C44 C43 N2 120.1(7) . . ?
C48 C43 N2 120.3(7) . . ?
C45 C44 C43 119.6(8) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C46 C45 C44 121.7(9) . . ?
C46 C45 H45 119.2 . . ?
C44 C45 H45 119.2 . . ?
C45 C46 C47 120.2(8) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C46 C47 C48 118.3(8) . . ?
C46 C47 H47 120.8 . . ?
C48 C47 H47 120.8 . . ?
C43 C48 C47 120.5(8) . . ?
C43 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
C54 C49 C50 121.0(8) . . ?
C54 C49 P4 116.5(6) . . ?
C50 C49 P4 122.3(6) . . ?
C51 C50 C49 118.7(9) . . ?
C51 C50 H50 120.7 . . ?
C49 C50 H50 120.7 . . ?
C50 C51 C52 119.2(10) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 H51 120.4 . . ?
C53 C52 C51 121.4(11) . . ?
C53 C52 H52 119.3 . . ?
C51 C52 H52 119.3 . . ?
C54 C53 C52 119.8(11) . . ?
C54 C53 H53 120.1 . . ?
C52 C53 H53 120.1 . . ?
C53 C54 C49 119.8(9) . . ?
C53 C54 H54 120.1 . . ?
C49 C54 H54 120.1 . . ?
C56 C55 C60 118.4(7) . . ?
C56 C55 P4 117.5(6) . . ?
C60 C55 P4 123.8(6) . . ?
C55 C56 C57 122.4(9) . . ?
C55 C56 H56 118.8 . . ?
C57 C56 H56 118.8 . . ?
C58 C57 C56 118.2(9) . . ?
C58 C57 H57 120.9 . . ?
C56 C57 H57 120.9 . . ?
C59 C58 C57 120.3(8) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 119.8(9) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C55 C60 C59 120.8(8) . . ?
C55 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
C13 N1 P2 126.0(5) . . ?
C13 N1 P1 123.3(5) . . ?
P2 N1 P1 110.4(3) . . ?
C43 N2 P3 124.8(4) . . ?
C43 N2 P4 123.9(5) . . ?
P3 N2 P4 110.8(3) . . ?
N1 P1 C7 108.3(3) . . ?
N1 P1 C1 106.7(3) . . ?
C7 P1 C1 104.5(3) . . ?
N1 P1 Ag1 90.2(2) . . ?
C7 P1 Ag1 123.4(2) . . ?
C1 P1 Ag1 120.9(2) . . ?
N1 P2 C19 110.1(3) . . ?
N1 P2 C25 106.4(3) . . ?
C19 P2 C25 102.2(3) . . ?
N1 P2 Ag1 91.2(2) . . ?
C19 P2 Ag1 120.7(3) . . ?
C25 P2 Ag1 124.4(2) . . ?
N2 P3 C31 107.2(3) . . ?
N2 P3 C37 105.3(3) . . ?
C31 P3 C37 107.2(3) . . ?
N2 P3 Ag1 91.72(19) . . ?
C31 P3 Ag1 125.2(3) . . ?
C37 P3 Ag1 116.7(2) . . ?
N2 P4 C55 105.3(3) . . ?
N2 P4 C49 105.2(3) . . ?
C55 P4 C49 106.3(3) . . ?
N2 P4 Ag1 89.1(2) . . ?
C55 P4 Ag1 127.3(2) . . ?
C49 P4 Ag1 118.5(2) . . ?
P3 Ag1 P2 138.36(7) . . ?
P3 Ag1 P1 123.34(6) . . ?
P2 Ag1 P1 68.11(6) . . ?
P3 Ag1 P4 68.33(6) . . ?
P2 Ag1 P4 142.81(6) . . ?
P1 Ag1 P4 125.07(6) . . ?
F1A B1 F2B 89.5(11) . . ?
F1A B1 F3A 121.7(14) . . ?
F2B B1 F3A 139.6(12) . . ?
F1A B1 F4B 84.4(11) . . ?
F2B B1 F4B 118.9(12) . . ?
F3A B1 F4B 91.3(11) . . ?
F1A B1 F3B 145.6(14) . . ?
F2B B1 F3B 110.1(10) . . ?
F3A B1 F3B 30.2(9) . . ?
F4B B1 F3B 108.3(9) . . ?
F1A B1 F4A 114.3(10) . . ?
F2B B1 F4A 77.8(12) . . ?
F3A B1 F4A 106.9(10) . . ?
F4B B1 F4A 51.3(9) . . ?
F3B B1 F4A 97.8(12) . . ?
F1A B1 F1B 41.1(9) . . ?
F2B B1 F1B 110.6(9) . . ?
F3A B1 F1B 84.9(12) . . ?
F4B B1 F1B 103.4(9) . . ?
F3B B1 F1B 104.6(12) . . ?
F4A B1 F1B 151.0(12) . . ?
F1A B1 F2A 107.0(10) . . ?
F2B B1 F2A 37.4(9) . . ?
F3A B1 F2A 104.2(10) . . ?
F4B B1 F2A 150.9(14) . . ?
F3B B1 F2A 77.7(10) . . ?
F4A B1 F2A 100.1(14) . . ?
F1B B1 F2A 102.5(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.9(11) . . . . ?
P1 C1 C2 C3 -176.3(7) . . . . ?
C1 C2 C3 C4 0.5(13) . . . . ?
C2 C3 C4 C5 -0.5(15) . . . . ?
C3 C4 C5 C6 1.1(14) . . . . ?
C4 C5 C6 C1 -1.6(13) . . . . ?
C2 C1 C6 C5 1.5(12) . . . . ?
P1 C1 C6 C5 176.5(6) . . . . ?
C12 C7 C8 C9 -1.7(12) . . . . ?
P1 C7 C8 C9 -172.0(6) . . . . ?
C7 C8 C9 C10 1.6(13) . . . . ?
C8 C9 C10 C11 0.5(14) . . . . ?
C9 C10 C11 C12 -2.4(14) . . . . ?
C8 C7 C12 C11 -0.2(11) . . . . ?
P1 C7 C12 C11 170.0(6) . . . . ?
C10 C11 C12 C7 2.3(13) . . . . ?
C18 C13 C14 C15 -0.1(12) . . . . ?
N1 C13 C14 C15 -177.6(7) . . . . ?
C13 C14 C15 C16 0.8(13) . . . . ?
C14 C15 C16 C17 -1.1(14) . . . . ?
C15 C16 C17 C18 0.7(15) . . . . ?
C16 C17 C18 C13 -0.1(13) . . . . ?
C14 C13 C18 C17 -0.2(12) . . . . ?
N1 C13 C18 C17 177.3(7) . . . . ?
C24 C19 C20 C21 -1.0(13) . . . . ?
P2 C19 C20 C21 176.2(8) . . . . ?
C19 C20 C21 C22 3.0(16) . . . . ?
C20 C21 C22 C23 -2.0(17) . . . . ?
C21 C22 C23 C24 -1.0(15) . . . . ?
C22 C23 C24 C19 3.0(13) . . . . ?
C20 C19 C24 C23 -2.0(12) . . . . ?
P2 C19 C24 C23 -179.1(7) . . . . ?
C30 C25 C26 C27 0.1(12) . . . . ?
P2 C25 C26 C27 175.0(6) . . . . ?
C25 C26 C27 C28 1.3(13) . . . . ?
C26 C27 C28 C29 -1.2(13) . . . . ?
C27 C28 C29 C30 -0.3(13) . . . . ?
C28 C29 C30 C25 1.7(12) . . . . ?
C26 C25 C30 C29 -1.6(11) . . . . ?
P2 C25 C30 C29 -176.5(6) . . . . ?
C36 C31 C32 C33 1.4(14) . . . . ?
P3 C31 C32 C33 179.9(9) . . . . ?
C31 C32 C33 C34 1.9(18) . . . . ?
C32 C33 C34 C35 -4(2) . . . . ?
C33 C34 C35 C36 3.0(17) . . . . ?
C34 C35 C36 C31 0.3(14) . . . . ?
C32 C31 C36 C35 -2.5(12) . . . . ?
P3 C31 C36 C35 179.2(6) . . . . ?
C42 C37 C38 C39 0.5(11) . . . . ?
P3 C37 C38 C39 -172.7(6) . . . . ?
C37 C38 C39 C40 -2.1(13) . . . . ?
C38 C39 C40 C41 2.9(14) . . . . ?
C39 C40 C41 C42 -2.0(13) . . . . ?
C38 C37 C42 C41 0.4(11) . . . . ?
P3 C37 C42 C41 174.3(6) . . . . ?
C40 C41 C42 C37 0.3(12) . . . . ?
C48 C43 C44 C45 -0.4(12) . . . . ?
N2 C43 C44 C45 -179.9(7) . . . . ?
C43 C44 C45 C46 1.1(13) . . . . ?
C44 C45 C46 C47 -1.1(14) . . . . ?
C45 C46 C47 C48 0.4(13) . . . . ?
C44 C43 C48 C47 -0.2(11) . . . . ?
N2 C43 C48 C47 179.3(7) . . . . ?
C46 C47 C48 C43 0.2(12) . . . . ?
C54 C49 C50 C51 1.7(12) . . . . ?
P4 C49 C50 C51 -173.4(7) . . . . ?
C49 C50 C51 C52 0.0(16) . . . . ?
C50 C51 C52 C53 -1(2) . . . . ?
C51 C52 C53 C54 -1(3) . . . . ?
C52 C53 C54 C49 2(2) . . . . ?
C50 C49 C54 C53 -2.9(15) . . . . ?
P4 C49 C54 C53 172.5(9) . . . . ?
C60 C55 C56 C57 1.6(12) . . . . ?
P4 C55 C56 C57 174.6(7) . . . . ?
C55 C56 C57 C58 -1.1(13) . . . . ?
C56 C57 C58 C59 0.0(13) . . . . ?
C57 C58 C59 C60 0.5(13) . . . . ?
C56 C55 C60 C59 -1.0(12) . . . . ?
P4 C55 C60 C59 -173.6(6) . . . . ?
C58 C59 C60 C55 0.0(13) . . . . ?
C14 C13 N1 P2 98.9(8) . . . . ?
C18 C13 N1 P2 -78.6(8) . . . . ?
C14 C13 N1 P1 -74.8(8) . . . . ?
C18 C13 N1 P1 107.8(7) . . . . ?
C44 C43 N2 P3 100.0(7) . . . . ?
C48 C43 N2 P3 -79.5(8) . . . . ?
C44 C43 N2 P4 -89.0(8) . . . . ?
C48 C43 N2 P4 91.6(8) . . . . ?
C13 N1 P1 C7 -58.4(6) . . . . ?
P2 N1 P1 C7 127.0(3) . . . . ?
C13 N1 P1 C1 53.6(6) . . . . ?
P2 N1 P1 C1 -121.0(4) . . . . ?
C13 N1 P1 Ag1 176.0(5) . . . . ?
P2 N1 P1 Ag1 1.5(3) . . . . ?
C12 C7 P1 N1 155.3(6) . . . . ?
C8 C7 P1 N1 -34.6(7) . . . . ?
C12 C7 P1 C1 41.9(7) . . . . ?
C8 C7 P1 C1 -148.0(6) . . . . ?
C12 C7 P1 Ag1 -101.8(6) . . . . ?
C8 C7 P1 Ag1 68.3(6) . . . . ?
C6 C1 P1 N1 -84.9(7) . . . . ?
C2 C1 P1 N1 90.2(6) . . . . ?
C6 C1 P1 C7 29.7(7) . . . . ?
C2 C1 P1 C7 -155.2(6) . . . . ?
C6 C1 P1 Ag1 174.5(6) . . . . ?
C2 C1 P1 Ag1 -10.4(7) . . . . ?
C13 N1 P2 C19 60.7(6) . . . . ?
P1 N1 P2 C19 -125.0(4) . . . . ?
C13 N1 P2 C25 -49.3(6) . . . . ?
P1 N1 P2 C25 125.0(3) . . . . ?
C13 N1 P2 Ag1 -175.9(5) . . . . ?
P1 N1 P2 Ag1 -1.5(3) . . . . ?
C20 C19 P2 N1 121.2(6) . . . . ?
C24 C19 P2 N1 -61.7(7) . . . . ?
C20 C19 P2 C25 -126.0(7) . . . . ?
C24 C19 P2 C25 51.1(7) . . . . ?
C20 C19 P2 Ag1 17.1(7) . . . . ?
C24 C19 P2 Ag1 -165.8(6) . . . . ?
C26 C25 P2 N1 144.1(6) . . . . ?
C30 C25 P2 N1 -41.1(7) . . . . ?
C26 C25 P2 C19 28.6(7) . . . . ?
C30 C25 P2 C19 -156.6(6) . . . . ?
C26 C25 P2 Ag1 -112.7(6) . . . . ?
C30 C25 P2 Ag1 62.1(7) . . . . ?
C43 N2 P3 C31 -57.4(7) . . . . ?
P4 N2 P3 C31 130.5(4) . . . . ?
C43 N2 P3 C37 56.5(6) . . . . ?
P4 N2 P3 C37 -115.6(4) . . . . ?
C43 N2 P3 Ag1 174.8(6) . . . . ?
P4 N2 P3 Ag1 2.7(3) . . . . ?
C32 C31 P3 N2 -119.1(7) . . . . ?
C36 C31 P3 N2 59.2(7) . . . . ?
C32 C31 P3 C37 128.2(7) . . . . ?
C36 C31 P3 C37 -53.5(8) . . . . ?
C32 C31 P3 Ag1 -14.2(8) . . . . ?
C36 C31 P3 Ag1 164.1(6) . . . . ?
C38 C37 P3 N2 -117.1(6) . . . . ?
C42 C37 P3 N2 69.4(6) . . . . ?
C38 C37 P3 C31 -3.1(7) . . . . ?
C42 C37 P3 C31 -176.6(5) . . . . ?
C38 C37 P3 Ag1 143.0(6) . . . . ?
C42 C37 P3 Ag1 -30.5(6) . . . . ?
C43 N2 P4 C55 56.6(6) . . . . ?
P3 N2 P4 C55 -131.3(4) . . . . ?
C43 N2 P4 C49 -55.5(6) . . . . ?
P3 N2 P4 C49 116.7(4) . . . . ?
C43 N2 P4 Ag1 -174.8(6) . . . . ?
P3 N2 P4 Ag1 -2.7(3) . . . . ?
C56 C55 P4 N2 56.4(6) . . . . ?
C60 C55 P4 N2 -131.0(6) . . . . ?
C56 C55 P4 C49 167.6(6) . . . . ?
C60 C55 P4 C49 -19.7(7) . . . . ?
C56 C55 P4 Ag1 -44.5(7) . . . . ?
C60 C55 P4 Ag1 128.2(6) . . . . ?
C54 C49 P4 N2 -112.0(7) . . . . ?
C50 C49 P4 N2 63.2(7) . . . . ?
C54 C49 P4 C55 136.6(6) . . . . ?
C50 C49 P4 C55 -48.1(7) . . . . ?
C54 C49 P4 Ag1 -14.7(7) . . . . ?
C50 C49 P4 Ag1 160.6(6) . . . . ?
N2 P3 Ag1 P2 145.6(2) . . . . ?
C31 P3 Ag1 P2 33.0(3) . . . . ?
C37 P3 Ag1 P2 -106.3(3) . . . . ?
N2 P3 Ag1 P1 -120.5(2) . . . . ?
C31 P3 Ag1 P1 126.9(3) . . . . ?
C37 P3 Ag1 P1 -12.4(3) . . . . ?
N2 P3 Ag1 P4 -1.9(2) . . . . ?
C31 P3 Ag1 P4 -114.5(3) . . . . ?
C37 P3 Ag1 P4 106.2(3) . . . . ?
N1 P2 Ag1 P3 117.1(2) . . . . ?
C19 P2 Ag1 P3 -128.6(3) . . . . ?
C25 P2 Ag1 P3 6.2(3) . . . . ?
N1 P2 Ag1 P1 1.0(2) . . . . ?
C19 P2 Ag1 P1 115.4(3) . . . . ?
C25 P2 Ag1 P1 -109.9(3) . . . . ?
N1 P2 Ag1 P4 -118.6(2) . . . . ?
C19 P2 Ag1 P4 -4.3(3) . . . . ?
C25 P2 Ag1 P4 130.5(3) . . . . ?
N1 P1 Ag1 P3 -135.4(2) . . . . ?
C7 P1 Ag1 P3 112.3(3) . . . . ?
C1 P1 Ag1 P3 -25.7(3) . . . . ?
N1 P1 Ag1 P2 -1.03(19) . . . . ?
C7 P1 Ag1 P2 -113.3(3) . . . . ?
C1 P1 Ag1 P2 108.7(3) . . . . ?
N1 P1 Ag1 P4 139.0(2) . . . . ?
C7 P1 Ag1 P4 26.8(3) . . . . ?
C1 P1 Ag1 P4 -111.3(3) . . . . ?
N2 P4 Ag1 P3 1.8(2) . . . . ?
C55 P4 Ag1 P3 110.5(3) . . . . ?
C49 P4 Ag1 P3 -105.0(3) . . . . ?
N2 P4 Ag1 P2 -142.0(2) . . . . ?
C55 P4 Ag1 P2 -33.3(3) . . . . ?
C49 P4 Ag1 P2 111.3(3) . . . . ?
N2 P4 Ag1 P1 118.2(2) . . . . ?
C55 P4 Ag1 P1 -133.1(3) . . . . ?
C49 P4 Ag1 P1 11.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.099

