# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2016

####################################################################### 
# 
# 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_1A
_database_code_depnum_ccdc_archive 'CCDC 1454819'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-06-21 downloaded from the CCDC.
;

_audit_creation_date             2015-04-25T12:20:22-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C72 H54 Ag2 F4 P4 S2'
_chemical_formula_sum            'C72 H54 Ag2 F4 P4 S2'
_chemical_formula_weight         1398.89

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.1703(7)
_cell_length_b                   10.6446(5)
_cell_length_c                   21.0933(10)
_cell_angle_alpha                90
_cell_angle_beta                 107.068(5)
_cell_angle_gamma                90
_cell_volume                     3041.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4486
_cell_measurement_theta_min      3.434
_cell_measurement_theta_max      29.4529

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_F_000             1416
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
18 -1 -19 0.0314
-18 1 19 0.0314
2 15 1 0.1113
-2 -15 -1 0.1113
7 1 23 0.0501
-7 -1 -23 0.0501

_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.874
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_T_max  0.948
_shelx_estimated_absorpt_T_min   0.818
_shelx_estimated_absorpt_T_max   0.949

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4685
_diffrn_orient_matrix_ub_11      -0.0254923
_diffrn_orient_matrix_ub_12      0.0082382
_diffrn_orient_matrix_ub_13      -0.0341003
_diffrn_orient_matrix_ub_21      -0.0457429
_diffrn_orient_matrix_ub_22      -0.0054416
_diffrn_orient_matrix_ub_23      0.0071209
_diffrn_orient_matrix_ub_31      -0.00056
_diffrn_orient_matrix_ub_32      0.0658959
_diffrn_orient_matrix_ub_33      0.0048619
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_av_unetI/netI     0.0733
_diffrn_reflns_number            20947
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.434
_diffrn_reflns_theta_max         29.453
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.862
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.862
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.862
_reflns_Friedel_coverage         0
_reflns_number_total             7278
_reflns_number_gt                4702
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    
;
      'SHELXS-2014 (Sheldrick, 2008)'
      G. M. Sheldrick, Acta Crystallogr., Sect. A: 
      Found. Crystallogr., 2008, 64, 112-122.
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
          'Ortep-3 for Windows (Farrugia, 1997)'
      L. J. Farrugia, J. Appl. Crystallogr., 1997, 30, 565.
;
_computing_publication_material  
;	
        'WinGX publication routines (Farrugia, 1999)'				 
	L. J. Farrugia, J. Appl. Crystallogr., 1999, 32, 837-838.
;

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 F1 and F1a are disordered over two sites with 
occupancies 0.75:0.25.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0221P)²+0.8533P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7278
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.078
_refine_ls_wR_factor_gt          0.064
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.073

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
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'

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 0.49484(2) 0.92052(2) 0.56978(2) 0.04580(8) Uani 1 1 d . . . . .
S1 S 0.35832(6) 0.98429(7) 0.45928(4) 0.04306(19) Uani 1 1 d . . . . .
P1 P 0.47188(6) 0.98863(7) 0.67968(4) 0.03891(19) Uani 1 1 d . . . . .
P2 P 0.47624(5) 0.70821(6) 0.61705(4) 0.03477(18) Uani 1 1 d . . . . .
F2 F 0.07703(16) 1.3473(2) 0.51337(14) 0.1127(10) Uani 1 1 d . . . . .
C1 C 0.3483(2) 0.6638(3) 0.60685(14) 0.0379(7) Uani 1 1 d . . . . .
C2 C 0.2743(2) 0.7226(3) 0.55802(15) 0.0483(8) Uani 1 1 d . . . . .
H2 H 0.2909 0.7801 0.5299 0.058 Uiso 1 1 calc R U . . .
C3 C 0.1765(2) 0.6969(3) 0.55063(17) 0.0615(10) Uani 1 1 d . . . . .
H3 H 0.1274 0.7372 0.5177 0.074 Uiso 1 1 calc R U . . .
C4 C 0.1515(2) 0.6127(4) 0.59142(19) 0.0654(10) Uani 1 1 d . . . . .
H4 H 0.0853 0.5952 0.5861 0.079 Uiso 1 1 calc R U . . .
C5 C 0.2230(3) 0.5534(3) 0.64019(18) 0.0661(10) Uani 1 1 d . . . . .
H5 H 0.2054 0.496 0.668 0.079 Uiso 1 1 calc R U . . .
C6 C 0.3210(2) 0.5787(3) 0.64810(16) 0.0534(8) Uani 1 1 d . . . . .
H6 H 0.3693 0.5384 0.6814 0.064 Uiso 1 1 calc R U . . .
C7 C 0.5388(2) 0.5644(3) 0.60592(14) 0.0383(7) Uani 1 1 d . . . . .
C8 C 0.4925(2) 0.4526(3) 0.58380(16) 0.0520(9) Uani 1 1 d . . . . .
H8 H 0.4244 0.4455 0.5746 0.062 Uiso 1 1 calc R U . . .
C9 C 0.5490(3) 0.3490(3) 0.57521(17) 0.0624(10) Uani 1 1 d . . . . .
H9 H 0.5179 0.2731 0.5603 0.075 Uiso 1 1 calc R U . . .
C10 C 0.6472(3) 0.3583(3) 0.58830(18) 0.0632(10) Uani 1 1 d . . . . .
H10 H 0.6837 0.2888 0.5825 0.076 Uiso 1 1 calc R U . . .
C11 C 0.6939(3) 0.4689(4) 0.6100(2) 0.0700(11) Uani 1 1 d . . . . .
H11 H 0.762 0.475 0.6191 0.084 Uiso 1 1 calc R U . . .
C12 C 0.6399(2) 0.5712(3) 0.61837(18) 0.0565(9) Uani 1 1 d . . . . .
H12 H 0.6721 0.6468 0.6327 0.068 Uiso 1 1 calc R U . . .
C13 C 0.52263(18) 0.7329(3) 0.70730(13) 0.0340(6) Uani 1 1 d . . . . .
C14 C 0.5630(2) 0.6346(3) 0.75040(15) 0.0434(7) Uani 1 1 d . . . . .
H14 H 0.5682 0.5553 0.7332 0.052 Uiso 1 1 calc R U . . .
C15 C 0.5953(2) 0.6529(3) 0.81792(16) 0.0513(8) Uani 1 1 d . . . . .
H15 H 0.6238 0.5868 0.8458 0.062 Uiso 1 1 calc R U . . .
C16 C 0.5857(2) 0.7672(3) 0.84410(16) 0.0562(9) Uani 1 1 d . . . . .
H16 H 0.6055 0.7784 0.8898 0.067 Uiso 1 1 calc R U . . .
C17 C 0.5467(2) 0.8661(3) 0.80272(15) 0.0500(8) Uani 1 1 d . . . . .
H17 H 0.5408 0.9441 0.821 0.06 Uiso 1 1 calc R U . . .
C18 C 0.51578(19) 0.8520(3) 0.73408(14) 0.0367(7) Uani 1 1 d . . . . .
C19 C 0.5409(2) 1.1188(3) 0.72819(14) 0.0422(7) Uani 1 1 d . . . . .
C20 C 0.6279(2) 1.1533(3) 0.71565(16) 0.0492(8) Uani 1 1 d . . . . .
H20 H 0.6477 1.1119 0.6829 0.059 Uiso 1 1 calc R U . . .
C21 C 0.6855(2) 1.2489(3) 0.75155(18) 0.0609(9) Uani 1 1 d . . . . .
H21 H 0.7437 1.2714 0.7426 0.073 Uiso 1 1 calc R U . . .
C22 C 0.6578(3) 1.3103(3) 0.79980(19) 0.0639(10) Uani 1 1 d . . . . .
H22 H 0.6975 1.3736 0.8242 0.077 Uiso 1 1 calc R U . . .
C23 C 0.5712(3) 1.2784(3) 0.81217(18) 0.0684(11) Uani 1 1 d . . . . .
H23 H 0.5519 1.3211 0.8448 0.082 Uiso 1 1 calc R U . . .
C24 C 0.5122(3) 1.1834(3) 0.77668(17) 0.0569(9) Uani 1 1 d . . . . .
H24 H 0.4534 1.1628 0.7853 0.068 Uiso 1 1 calc R U . . .
C25 C 0.3458(2) 1.0097(3) 0.68280(15) 0.0473(8) Uani 1 1 d . . . . .
C26 C 0.2983(3) 1.1236(4) 0.66315(18) 0.0717(11) Uani 1 1 d . . . . .
H26 H 0.3327 1.1902 0.6518 0.086 Uiso 1 1 calc R U . . .
C27 C 0.2001(4) 1.1384(5) 0.6604(2) 0.0947(15) Uani 1 1 d . . . . .
H27 H 0.169 1.2153 0.6481 0.114 Uiso 1 1 calc R U . . .
C28 C 0.1490(3) 1.0397(6) 0.6758(2) 0.0996(17) Uani 1 1 d . . . . .
H28 H 0.0829 1.0497 0.6735 0.12 Uiso 1 1 calc R U . . .
C29 C 0.1941(3) 0.9274(5) 0.6943(2) 0.0897(14) Uani 1 1 d . . . . .
H29 H 0.1583 0.8605 0.7039 0.108 Uiso 1 1 calc R U . . .
C30 C 0.2926(2) 0.9122(4) 0.69904(18) 0.0618(10) Uani 1 1 d . . . . .
H30 H 0.3235 0.8358 0.7132 0.074 Uiso 1 1 calc R U . . .
C31 C 0.2774(2) 1.0950(3) 0.47764(14) 0.0429(7) Uani 1 1 d . . . . .
C32 C 0.1855(2) 1.0562(3) 0.48190(17) 0.0580(9) Uani 1 1 d . . . . .
H32 H 0.1682 0.9717 0.4766 0.07 Uiso 1 1 calc R U . . .
C33 C 0.1203(3) 1.1417(4) 0.4938(2) 0.0709(11) Uani 1 1 d . . . . .
H33 H 0.0594 1.1146 0.4968 0.085 Uiso 0.25 1 calc R U P A 2
C34 C 0.1438(3) 1.2660(4) 0.50121(19) 0.0702(11) Uani 1 1 d . . . . .
C35 C 0.2319(3) 1.3046(4) 0.4972(2) 0.0698(11) Uani 1 1 d . . . . .
H35 H 0.2482 1.3895 0.5025 0.084 Uiso 0.75 1 calc R U P B 1
C36 C 0.2982(2) 1.2213(3) 0.48567(17) 0.0560(9) Uani 1 1 d . . . . .
H36 H 0.3589 1.2506 0.4832 0.067 Uiso 1 1 calc R U . . .
F1 F 0.0328(2) 1.1117(3) 0.4985(2) 0.1128(13) Uani 0.75 1 d . . P C 1
F1A F 0.2394(8) 1.4139(10) 0.5038(7) 0.120(4) Uani 0.25 1 d . . P D 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 P2 2.5150(7) . ?
Ag1 P1 2.5392(8) . ?
Ag1 S1 2.5457(8) 3_676 ?
Ag1 S1 2.6437(8) . ?
S1 C31 1.765(3) . ?
S1 Ag1 2.5458(8) 3_676 ?
P1 C25 1.821(3) . ?
P1 C19 1.826(3) . ?
P1 C18 1.844(3) . ?
P2 C7 1.819(3) . ?
P2 C1 1.824(3) . ?
P2 C13 1.841(3) . ?
F2 C34 1.360(4) . ?
C1 C2 1.385(4) . ?
C1 C6 1.388(4) . ?
C2 C3 1.376(4) . ?
C2 H2 0.93 . ?
C3 C4 1.360(5) . ?
C3 H3 0.93 . ?
C4 C5 1.368(5) . ?
C4 H4 0.93 . ?
C5 C6 1.375(4) . ?
C5 H5 0.93 . ?
C6 H6 0.93 . ?
C7 C8 1.372(4) . ?
C7 C12 1.380(4) . ?
C8 C9 1.406(4) . ?
C8 H8 0.93 . ?
C9 C10 1.340(5) . ?
C9 H9 0.93 . ?
C10 C11 1.362(5) . ?
C10 H10 0.93 . ?
C11 C12 1.372(4) . ?
C11 H11 0.93 . ?
C12 H12 0.93 . ?
C13 C14 1.394(4) . ?
C13 C18 1.403(4) . ?
C14 C15 1.376(4) . ?
C14 H14 0.93 . ?
C15 C16 1.359(5) . ?
C15 H15 0.93 . ?
C16 C17 1.376(4) . ?
C16 H16 0.93 . ?
C17 C18 1.392(4) . ?
C17 H17 0.93 . ?
C19 C20 1.385(4) . ?
C19 C24 1.388(4) . ?
C20 C21 1.383(4) . ?
C20 H20 0.93 . ?
C21 C22 1.361(5) . ?
C21 H21 0.93 . ?
C22 C23 1.370(5) . ?
C22 H22 0.93 . ?
C23 C24 1.384(4) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
C25 C30 1.384(5) . ?
C25 C26 1.389(5) . ?
C26 C27 1.385(6) . ?
C26 H26 0.93 . ?
C27 C28 1.368(7) . ?
C27 H27 0.93 . ?
C28 C29 1.357(6) . ?
C28 H28 0.93 . ?
C29 C30 1.380(5) . ?
C29 H29 0.93 . ?
C30 H30 0.93 . ?
C31 C36 1.376(4) . ?
C31 C32 1.394(4) . ?
C32 C33 1.371(5) . ?
C32 H32 0.93 . ?
C33 F1 1.312(4) . ?
C33 C34 1.362(5) . ?
C33 H33 0.93 . ?
C34 C35 1.341(5) . ?
C35 F1A 1.172(10) . ?
C35 C36 1.365(5) . ?
C35 H35 0.93 . ?
C36 H36 0.93 . ?

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
P2 Ag1 P1 80.69(3) . . ?
P2 Ag1 S1 129.89(3) . 3_676 ?
P1 Ag1 S1 116.04(3) . 3_676 ?
P2 Ag1 S1 116.46(2) . . ?
P1 Ag1 S1 118.35(3) . . ?
S1 Ag1 S1 97.11(2) 3_676 . ?
C31 S1 Ag1 114.63(10) . 3_676 ?
C31 S1 Ag1 109.42(10) . . ?
Ag1 S1 Ag1 82.89(2) 3_676 . ?
C25 P1 C19 104.82(14) . . ?
C25 P1 C18 103.30(14) . . ?
C19 P1 C18 102.84(13) . . ?
C25 P1 Ag1 117.27(10) . . ?
C19 P1 Ag1 122.50(11) . . ?
C18 P1 Ag1 103.45(9) . . ?
C7 P2 C1 105.78(13) . . ?
C7 P2 C13 102.36(13) . . ?
C1 P2 C13 101.52(12) . . ?
C7 P2 Ag1 126.41(10) . . ?
C1 P2 Ag1 113.72(9) . . ?
C13 P2 Ag1 103.56(9) . . ?
C2 C1 C6 118.1(3) . . ?
C2 C1 P2 118.7(2) . . ?
C6 C1 P2 123.1(2) . . ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120 . . ?
C2 C3 H3 120 . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 120.0(3) . . ?
C4 C5 H5 120 . . ?
C6 C5 H5 120 . . ?
C5 C6 C1 120.6(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C8 C7 C12 118.4(3) . . ?
C8 C7 P2 124.8(2) . . ?
C12 C7 P2 116.7(2) . . ?
C7 C8 C9 119.4(3) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 120.8(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 120.3(3) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 119.7(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 121.3(3) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
C14 C13 C18 118.6(3) . . ?
C14 C13 P2 121.4(2) . . ?
C18 C13 P2 120.0(2) . . ?
C15 C14 C13 121.1(3) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 119.8(3) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 121.5(3) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 118.6(3) . . ?
C17 C18 P1 120.5(2) . . ?
C13 C18 P1 120.8(2) . . ?
C20 C19 C24 118.6(3) . . ?
C20 C19 P1 117.0(2) . . ?
C24 C19 P1 124.4(3) . . ?
C21 C20 C19 120.4(3) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.7(4) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.6(3) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.7(3) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C19 120.0(3) . . ?
C23 C24 H24 120 . . ?
C19 C24 H24 120 . . ?
C30 C25 C26 118.5(3) . . ?
C30 C25 P1 121.9(3) . . ?
C26 C25 P1 119.4(3) . . ?
C27 C26 C25 120.3(4) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 C26 119.9(4) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C29 C28 C27 120.5(4) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.3(5) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C25 120.5(4) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C36 C31 C32 116.9(3) . . ?
C36 C31 S1 123.3(2) . . ?
C32 C31 S1 119.7(2) . . ?
C33 C32 C31 120.4(3) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
F1 C33 C34 115.6(4) . . ?
F1 C33 C32 123.6(4) . . ?
C34 C33 C32 120.8(4) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C35 C34 F2 121.9(4) . . ?
C35 C34 C33 119.4(4) . . ?
F2 C34 C33 118.7(4) . . ?
F1A C35 C34 110.5(6) . . ?
F1A C35 C36 128.5(7) . . ?
C34 C35 C36 121.0(4) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C31 121.5(3) . . ?
C35 C36 H36 119.2 . . ?
C31 C36 H36 119.2 . . ?

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
C7 P2 C1 C2 -121.8(2) . . . . ?
C13 P2 C1 C2 131.6(2) . . . . ?
Ag1 P2 C1 C2 21.1(3) . . . . ?
C7 P2 C1 C6 61.8(3) . . . . ?
C13 P2 C1 C6 -44.7(3) . . . . ?
Ag1 P2 C1 C6 -155.3(2) . . . . ?
C6 C1 C2 C3 -0.1(5) . . . . ?
P2 C1 C2 C3 -176.7(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C2 C3 C4 C5 0.3(6) . . . . ?
C3 C4 C5 C6 -0.1(6) . . . . ?
C4 C5 C6 C1 -0.2(6) . . . . ?
C2 C1 C6 C5 0.3(5) . . . . ?
P2 C1 C6 C5 176.7(3) . . . . ?
C1 P2 C7 C8 9.4(3) . . . . ?
C13 P2 C7 C8 115.3(3) . . . . ?
Ag1 P2 C7 C8 -127.3(2) . . . . ?
C1 P2 C7 C12 -173.3(2) . . . . ?
C13 P2 C7 C12 -67.4(3) . . . . ?
Ag1 P2 C7 C12 50.0(3) . . . . ?
C12 C7 C8 C9 0.7(5) . . . . ?
P2 C7 C8 C9 177.9(3) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C8 C9 C10 C11 -0.2(6) . . . . ?
C9 C10 C11 C12 -0.1(6) . . . . ?
C10 C11 C12 C7 0.7(6) . . . . ?
C8 C7 C12 C11 -1.0(5) . . . . ?
P2 C7 C12 C11 -178.5(3) . . . . ?
C7 P2 C13 C14 -20.5(3) . . . . ?
C1 P2 C13 C14 88.7(2) . . . . ?
Ag1 P2 C13 C14 -153.1(2) . . . . ?
C7 P2 C13 C18 160.9(2) . . . . ?
C1 P2 C13 C18 -89.9(2) . . . . ?
Ag1 P2 C13 C18 28.3(2) . . . . ?
C18 C13 C14 C15 0.3(4) . . . . ?
P2 C13 C14 C15 -178.4(2) . . . . ?
C13 C14 C15 C16 1.9(5) . . . . ?
C14 C15 C16 C17 -2.2(5) . . . . ?
C15 C16 C17 C18 0.4(5) . . . . ?
C16 C17 C18 C13 1.7(4) . . . . ?
C16 C17 C18 P1 -175.7(2) . . . . ?
C14 C13 C18 C17 -2.0(4) . . . . ?
P2 C13 C18 C17 176.6(2) . . . . ?
C14 C13 C18 P1 175.4(2) . . . . ?
P2 C13 C18 P1 -6.0(3) . . . . ?
C25 P1 C18 C17 -79.3(3) . . . . ?
C19 P1 C18 C17 29.6(3) . . . . ?
Ag1 P1 C18 C17 158.0(2) . . . . ?
C25 P1 C18 C13 103.3(2) . . . . ?
C19 P1 C18 C13 -147.8(2) . . . . ?
Ag1 P1 C18 C13 -19.4(2) . . . . ?
C25 P1 C19 C20 -157.6(2) . . . . ?
C18 P1 C19 C20 94.7(2) . . . . ?
Ag1 P1 C19 C20 -20.7(3) . . . . ?
C25 P1 C19 C24 23.1(3) . . . . ?
C18 P1 C19 C24 -84.7(3) . . . . ?
Ag1 P1 C19 C24 160.0(2) . . . . ?
C24 C19 C20 C21 1.0(5) . . . . ?
P1 C19 C20 C21 -178.4(2) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C21 C22 C23 -1.0(5) . . . . ?
C21 C22 C23 C24 0.8(5) . . . . ?
C22 C23 C24 C19 0.4(5) . . . . ?
C20 C19 C24 C23 -1.2(5) . . . . ?
P1 C19 C24 C23 178.1(2) . . . . ?
C19 P1 C25 C30 -130.8(3) . . . . ?
C18 P1 C25 C30 -23.4(3) . . . . ?
Ag1 P1 C25 C30 89.6(3) . . . . ?
C19 P1 C25 C26 54.6(3) . . . . ?
C18 P1 C25 C26 162.0(3) . . . . ?
Ag1 P1 C25 C26 -85.0(3) . . . . ?
C30 C25 C26 C27 0.3(5) . . . . ?
P1 C25 C26 C27 175.1(3) . . . . ?
C25 C26 C27 C28 -1.3(6) . . . . ?
C26 C27 C28 C29 0.6(7) . . . . ?
C27 C28 C29 C30 1.2(7) . . . . ?
C28 C29 C30 C25 -2.2(6) . . . . ?
C26 C25 C30 C29 1.4(5) . . . . ?
P1 C25 C30 C29 -173.3(3) . . . . ?
Ag1 S1 C31 C36 -9.4(3) 3_676 . . . ?
Ag1 S1 C31 C36 81.6(3) . . . . ?
Ag1 S1 C31 C32 167.9(2) 3_676 . . . ?
Ag1 S1 C31 C32 -101.1(2) . . . . ?
C36 C31 C32 C33 -0.2(5) . . . . ?
S1 C31 C32 C33 -177.7(3) . . . . ?
C31 C32 C33 F1 -179.9(4) . . . . ?
C31 C32 C33 C34 0.4(6) . . . . ?
F1 C33 C34 C35 179.9(4) . . . . ?
C32 C33 C34 C35 -0.4(6) . . . . ?
F1 C33 C34 F2 0.8(6) . . . . ?
C32 C33 C34 F2 -179.6(3) . . . . ?
F2 C34 C35 F1A -1.9(9) . . . . ?
C33 C34 C35 F1A 179.0(8) . . . . ?
F2 C34 C35 C36 179.3(4) . . . . ?
C33 C34 C35 C36 0.2(6) . . . . ?
F1A C35 C36 C31 -178.5(9) . . . . ?
C34 C35 C36 C31 0.0(6) . . . . ?
C32 C31 C36 C35 0.0(5) . . . . ?
S1 C31 C36 C35 177.4(3) . . . . ?

####################################################################### 
# 
# 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_1B
_database_code_depnum_ccdc_archive 'CCDC 1454820'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-06-21 downloaded from the CCDC.
;


_audit_creation_date             2015-05-28T12:49:14-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C72 H54 Ag2 F4 P4 S2'
_chemical_formula_sum            'C72 H54 Ag2 F4 P4 S2'
_chemical_formula_weight         1398.89

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.8314(8)
_cell_length_b                   13.9584(12)
_cell_length_c                   18.0610(11)
_cell_angle_alpha                73.771(6)
_cell_angle_beta                 78.567(5)
_cell_angle_gamma                63.638(7)
_cell_volume                     2988.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    11744
_cell_measurement_theta_min      3.4074
_cell_measurement_theta_max      29.5274

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_F_000             1416
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 16 -1 0.0585
2 -16 1 0.0585
8 1 -21 0.1648
-8 -1 21 0.1648
-18 -11 -15 0.1062
18 11 15 0.1062
-4 -7 -25 0.1428
4 7 25 0.1428
15 -4 3 0.1086
-10 -20 -9 0.0985

_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.889
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_T_max  0.906
_shelx_estimated_absorpt_T_min   0.758
_shelx_estimated_absorpt_T_max   0.901

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4685
_diffrn_orient_matrix_ub_11      0.0466507
_diffrn_orient_matrix_ub_12      -0.0136275
_diffrn_orient_matrix_ub_13      0.0183643
_diffrn_orient_matrix_ub_21      0.0130138
_diffrn_orient_matrix_ub_22      -0.0564898
_diffrn_orient_matrix_ub_23      0.0049387
_diffrn_orient_matrix_ub_31      0.0308968
_diffrn_orient_matrix_ub_32      -0.0002516
_diffrn_orient_matrix_ub_33      -0.036385
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_number            40130
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.407
_diffrn_reflns_theta_max         29.527
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.866
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.866
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.866
_reflns_Friedel_coverage         0
_reflns_number_total             14460
_reflns_number_gt                11939
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    
;
      'SHELXS-2014 (Sheldrick, 2008)'
      G. M. Sheldrick, Acta Crystallogr., Sect. A: 
      Found. Crystallogr., 2008, 64, 112-122.
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
          'Ortep-3 for Windows (Farrugia, 1997)'
      L. J. Farrugia, J. Appl. Crystallogr., 1997, 30, 565.
;
_computing_publication_material  
;	
        'WinGX publication routines (Farrugia, 1999)'				 
	L. J. Farrugia, J. Appl. Crystallogr., 1999, 32, 837-838.
;


#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0240P)²+2.2081P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14460
_refine_ls_number_parameters     757
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0319
_refine_ls_wR_factor_ref         0.0723
_refine_ls_wR_factor_gt          0.065
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.084

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
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'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2938(2) 0.7464(2) 0.61889(13) 0.0252(5) Uani 1 1 d . . . . .
C2 C 0.4047(2) 0.6907(2) 0.63002(15) 0.0321(6) Uani 1 1 d . . . . .
H2 H 0.4348 0.615 0.654 0.039 Uiso 1 1 calc R U . . .
C3 C 0.4682(2) 0.7471(3) 0.60585(16) 0.0388(7) Uani 1 1 d . . . . .
C4 C 0.4315(2) 0.8561(3) 0.57099(16) 0.0385(7) Uani 1 1 d . . . . .
H4 H 0.4777 0.8935 0.5554 0.046 Uiso 1 1 calc R U . . .
C5 C 0.3248(2) 0.9065(2) 0.56047(15) 0.0324(6) Uani 1 1 d . . . . .
C6 C 0.2528(2) 0.8589(2) 0.58345(15) 0.0303(6) Uani 1 1 d . . . . .
H6 H 0.1781 0.9 0.5758 0.036 Uiso 1 1 calc R U . . .
C7 C -0.20985(19) 0.86253(19) 0.70200(13) 0.0182(5) Uani 1 1 d . . . . .
C8 C -0.19514(19) 0.95613(19) 0.70014(12) 0.0172(5) Uani 1 1 d . . . . .
C9 C -0.11956(19) 1.00100(19) 0.81679(12) 0.0177(5) Uani 1 1 d . . . . .
C10 C -0.15159(19) 1.1095(2) 0.81796(13) 0.0205(5) Uani 1 1 d . . . . .
H10 H -0.1469 1.1601 0.7712 0.025 Uiso 1 1 calc R U . . .
C11 C -0.1904(2) 1.1455(2) 0.88642(14) 0.0241(5) Uani 1 1 d . . . . .
H11 H -0.212 1.2203 0.8862 0.029 Uiso 1 1 calc R U . . .
C12 C -0.1980(2) 1.0734(2) 0.95493(14) 0.0312(6) Uani 1 1 d . . . . .
H12 H -0.2247 1.0983 1.0019 0.037 Uiso 1 1 calc R U . . .
C13 C -0.1668(3) 0.9654(2) 0.95485(15) 0.0385(7) Uani 1 1 d . . . . .
H13 H -0.1723 0.9155 1.0019 0.046 Uiso 1 1 calc R U . . .
C14 C -0.1270(2) 0.9284(2) 0.88637(14) 0.0306(6) Uani 1 1 d . . . . .
H14 H -0.1047 0.8533 0.887 0.037 Uiso 1 1 calc R U . . .
C15 C -0.03586(18) 1.04857(18) 0.65636(12) 0.0170(5) Uani 1 1 d . . . . .
C16 C -0.0609(2) 1.0769(2) 0.58020(13) 0.0230(5) Uani 1 1 d . . . . .
H16 H -0.1029 1.0472 0.5662 0.028 Uiso 1 1 calc R U . . .
C17 C -0.0251(2) 1.1482(2) 0.52432(14) 0.0272(6) Uani 1 1 d . . . . .
H17 H -0.0425 1.1669 0.4724 0.033 Uiso 1 1 calc R U . . .
C18 C 0.0357(2) 1.1919(2) 0.54422(15) 0.0303(6) Uani 1 1 d . . . . .
H18 H 0.0595 1.2413 0.5062 0.036 Uiso 1 1 calc R U . . .
C19 C 0.0618(2) 1.1635(2) 0.61973(15) 0.0290(6) Uani 1 1 d . . . . .
H19 H 0.1035 1.1936 0.6335 0.035 Uiso 1 1 calc R U . . .
C20 C 0.0275(2) 1.0915(2) 0.67532(14) 0.0225(5) Uani 1 1 d . . . . .
H20 H 0.0473 1.0711 0.7267 0.027 Uiso 1 1 calc R U . . .
C21 C -0.2784(2) 1.0597(2) 0.67711(14) 0.0237(5) Uani 1 1 d . . . . .
H21 H -0.2696 1.1234 0.6771 0.028 Uiso 1 1 calc R U . . .
C22 C -0.3731(2) 1.0704(2) 0.65442(15) 0.0287(6) Uani 1 1 d . . . . .
H22 H -0.4293 1.141 0.6395 0.034 Uiso 1 1 calc R U . . .
C23 C -0.3859(2) 0.9779(2) 0.65357(15) 0.0295(6) Uani 1 1 d . . . . .
H23 H -0.45 0.9849 0.6366 0.035 Uiso 1 1 calc R U . . .
C24 C -0.3057(2) 0.8757(2) 0.67726(14) 0.0256(5) Uani 1 1 d . . . . .
H24 H -0.3155 0.8126 0.6769 0.031 Uiso 1 1 calc R U . . .
C25 C -0.18242(19) 0.69472(19) 0.83921(12) 0.0168(5) Uani 1 1 d . . . . .
C26 C -0.2825(2) 0.7665(2) 0.86590(15) 0.0288(6) Uani 1 1 d . . . . .
H26 H -0.3189 0.8366 0.8342 0.035 Uiso 1 1 calc R U . . .
C27 C -0.3298(2) 0.7363(2) 0.93892(15) 0.0343(7) Uani 1 1 d . . . . .
H27 H -0.3983 0.786 0.9568 0.041 Uiso 1 1 calc R U . . .
C28 C -0.2782(2) 0.6351(2) 0.98541(13) 0.0241(5) Uani 1 1 d . . . . .
H28 H -0.3114 0.6144 1.0348 0.029 Uiso 1 1 calc R U . . .
C29 C -0.1785(2) 0.5641(2) 0.96008(13) 0.0259(6) Uani 1 1 d . . . . .
H29 H -0.1424 0.4943 0.9922 0.031 Uiso 1 1 calc R U . . .
C30 C -0.1304(2) 0.5940(2) 0.88754(13) 0.0239(5) Uani 1 1 d . . . . .
H30 H -0.0608 0.5447 0.8708 0.029 Uiso 1 1 calc R U . . .
C31 C -0.11274(18) 0.63269(18) 0.69315(12) 0.0163(5) Uani 1 1 d . . . . .
C32 C -0.1943(2) 0.5959(2) 0.70586(13) 0.0217(5) Uani 1 1 d . . . . .
H32 H -0.254 0.621 0.7427 0.026 Uiso 1 1 calc R U . . .
C33 C -0.1888(2) 0.5227(2) 0.66498(14) 0.0239(5) Uani 1 1 d . . . . .
H33 H -0.245 0.4982 0.6734 0.029 Uiso 1 1 calc R U . . .
C34 C -0.1015(2) 0.4855(2) 0.61192(13) 0.0239(5) Uani 1 1 d . . . . .
H34 H -0.0975 0.4351 0.5841 0.029 Uiso 1 1 calc R U . . .
C35 C -0.0199(2) 0.5213(2) 0.59904(13) 0.0252(5) Uani 1 1 d . . . . .
H35 H 0.0398 0.4958 0.5623 0.03 Uiso 1 1 calc R U . . .
C36 C -0.02503(19) 0.5945(2) 0.63964(13) 0.0213(5) Uani 1 1 d . . . . .
H36 H 0.0314 0.6187 0.631 0.026 Uiso 1 1 calc R U . . .
C37 C 0.2380(2) 0.7512(2) 0.84040(13) 0.0217(5) Uani 1 1 d . . . . .
C38 C 0.3464(2) 0.7170(2) 0.81319(14) 0.0255(5) Uani 1 1 d . . . . .
H38 H 0.3868 0.6445 0.8053 0.031 Uiso 1 1 calc R U . . .
C39 C 0.3951(2) 0.7884(2) 0.79769(15) 0.0314(6) Uani 1 1 d . . . . .
C40 C 0.3423(3) 0.8941(2) 0.80722(15) 0.0356(7) Uani 1 1 d . . . . .
H40 H 0.3771 0.9424 0.7959 0.043 Uiso 1 1 calc R U . . .
C41 C 0.2346(3) 0.9252(2) 0.83456(16) 0.0341(7) Uani 1 1 d . . . . .
C42 C 0.1814(2) 0.8578(2) 0.85207(14) 0.0280(6) Uani 1 1 d . . . . .
H42 H 0.1074 0.8833 0.8718 0.034 Uiso 1 1 calc R U . . .
C43 C 0.36128(18) 0.24686(19) 0.82828(12) 0.0163(5) Uani 1 1 d . . . . .
C44 C 0.45894(18) 0.25804(18) 0.82346(12) 0.0161(4) Uani 1 1 d . . . . .
C45 C 0.54134(18) 0.39741(19) 0.85665(12) 0.0169(5) Uani 1 1 d . . . . .
C46 C 0.54387(19) 0.3378(2) 0.93276(13) 0.0201(5) Uani 1 1 d . . . . .
H46 H 0.5107 0.2877 0.9483 0.024 Uiso 1 1 calc R U . . .
C47 C 0.5945(2) 0.3507(2) 0.98617(13) 0.0244(5) Uani 1 1 d . . . . .
H47 H 0.5956 0.3094 1.0379 0.029 Uiso 1 1 calc R U . . .
C48 C 0.6427(2) 0.4225(2) 0.96479(14) 0.0248(5) Uani 1 1 d . . . . .
H48 H 0.6779 0.4305 1.0013 0.03 Uiso 1 1 calc R U . . .
C49 C 0.6397(2) 0.4839(2) 0.88912(14) 0.0247(5) Uani 1 1 d . . . . .
H49 H 0.6728 0.5341 0.874 0.03 Uiso 1 1 calc R U . . .
C50 C 0.58888(19) 0.4718(2) 0.83600(13) 0.0195(5) Uani 1 1 d . . . . .
H50 H 0.5863 0.5147 0.7847 0.023 Uiso 1 1 calc R U . . .
C51 C 0.56006(19) 0.37365(19) 0.69967(12) 0.0179(5) Uani 1 1 d . . . . .
C52 C 0.5172(2) 0.3927(2) 0.63062(14) 0.0288(6) Uani 1 1 d . . . . .
H52 H 0.4412 0.4175 0.6298 0.035 Uiso 1 1 calc R U . . .
C53 C 0.5842(2) 0.3756(2) 0.56327(14) 0.0357(7) Uani 1 1 d . . . . .
H53 H 0.5543 0.3868 0.5169 0.043 Uiso 1 1 calc R U . . .
C54 C 0.6943(2) 0.3424(2) 0.56301(14) 0.0298(6) Uani 1 1 d . . . . .
H54 H 0.7399 0.3317 0.5165 0.036 Uiso 1 1 calc R U . . .
C55 C 0.7376(2) 0.32487(19) 0.63047(13) 0.0221(5) Uani 1 1 d . . . . .
H55 H 0.8133 0.3022 0.6305 0.026 Uiso 1 1 calc R U . . .
C56 C 0.67093(19) 0.34027(19) 0.69850(13) 0.0182(5) Uani 1 1 d . . . . .
H56 H 0.7016 0.3278 0.7448 0.022 Uiso 1 1 calc R U . . .
C57 C 0.5514(2) 0.1658(2) 0.84936(13) 0.0218(5) Uani 1 1 d . . . . .
H57 H 0.6184 0.1719 0.8428 0.026 Uiso 1 1 calc R U . . .
C58 C 0.5477(2) 0.0661(2) 0.88413(14) 0.0255(5) Uani 1 1 d . . . . .
H58 H 0.6114 0.0044 0.9017 0.031 Uiso 1 1 calc R U . . .
C59 C 0.4500(2) 0.0563(2) 0.89333(14) 0.0259(6) Uani 1 1 d . . . . .
H59 H 0.4461 -0.0114 0.9191 0.031 Uiso 1 1 calc R U . . .
C60 C 0.3586(2) 0.1451(2) 0.86507(13) 0.0223(5) Uani 1 1 d . . . . .
H60 H 0.2926 0.1372 0.8706 0.027 Uiso 1 1 calc R U . . .
C61 C 0.26727(18) 0.3195(2) 0.68717(13) 0.0195(5) Uani 1 1 d . . . . .
C62 C 0.2613(2) 0.3976(2) 0.61869(13) 0.0251(5) Uani 1 1 d . . . . .
H62 H 0.2445 0.4708 0.6203 0.03 Uiso 1 1 calc R U . . .
C63 C 0.2800(2) 0.3685(3) 0.54767(15) 0.0349(7) Uani 1 1 d . . . . .
H63 H 0.2769 0.4216 0.5009 0.042 Uiso 1 1 calc R U . . .
C64 C 0.3027(2) 0.2632(3) 0.54527(16) 0.0380(7) Uani 1 1 d . . . . .
H64 H 0.3141 0.2439 0.4968 0.046 Uiso 1 1 calc R U . . .
C65 C 0.3093(2) 0.1849(3) 0.61313(17) 0.0363(7) Uani 1 1 d . . . . .
H65 H 0.326 0.1118 0.6112 0.044 Uiso 1 1 calc R U . . .
C66 C 0.2915(2) 0.2130(2) 0.68352(15) 0.0291(6) Uani 1 1 d . . . . .
H66 H 0.2959 0.159 0.73 0.035 Uiso 1 1 calc R U . . .
C67 C 0.12935(18) 0.33065(18) 0.83017(13) 0.0175(5) Uani 1 1 d . . . . .
C68 C 0.1115(2) 0.3209(2) 0.91016(13) 0.0219(5) Uani 1 1 d . . . . .
H68 H 0.1615 0.3246 0.9373 0.026 Uiso 1 1 calc R U . . .
C69 C 0.0213(2) 0.3060(2) 0.95030(14) 0.0254(5) Uani 1 1 d . . . . .
H69 H 0.0106 0.2981 1.0049 0.031 Uiso 1 1 calc R U . . .
C70 C -0.0527(2) 0.3024(2) 0.91165(15) 0.0289(6) Uani 1 1 d . . . . .
H70 H -0.1145 0.292 0.9394 0.035 Uiso 1 1 calc R U . . .
C71 C -0.0371(2) 0.3141(2) 0.83225(15) 0.0302(6) Uani 1 1 d . . . . .
H71 H -0.0888 0.3126 0.8054 0.036 Uiso 1 1 calc R U . . .
C72 C 0.0539(2) 0.3279(2) 0.79129(14) 0.0232(5) Uani 1 1 d . . . . .
H72 H 0.0644 0.3355 0.7367 0.028 Uiso 1 1 calc R U . . .
Ag1 Ag 0.27073(2) 0.52752(2) 0.77138(2) 0.01847(5) Uani 1 1 d . . . . .
Ag2 Ag 0.05557(2) 0.74843(2) 0.74684(2) 0.01855(5) Uani 1 1 d . . . . .
F1 F 0.57587(14) 0.69100(18) 0.61955(11) 0.0581(5) Uani 1 1 d . . . . .
F2 F 0.28378(16) 1.01629(14) 0.52553(10) 0.0509(5) Uani 1 1 d . . . . .
F3 F 0.50166(14) 0.75291(16) 0.77151(10) 0.0486(5) Uani 1 1 d . . . . .
F4 F 0.17847(16) 1.02934(13) 0.84471(11) 0.0484(5) Uani 1 1 d . . . . .
P1 P -0.11156(5) 0.72640(5) 0.74535(3) 0.01575(12) Uani 1 1 d . . . . .
P2 P -0.06965(5) 0.94536(5) 0.72952(3) 0.01635(12) Uani 1 1 d . . . . .
P3 P 0.24476(5) 0.35962(5) 0.77968(3) 0.01582(12) Uani 1 1 d . . . . .
P4 P 0.46536(5) 0.39271(5) 0.78647(3) 0.01504(12) Uani 1 1 d . . . . .
S1 S 0.17214(5) 0.66078(5) 0.86313(3) 0.01871(12) Uani 1 1 d . . . . .
S2 S 0.21033(5) 0.67393(5) 0.64457(3) 0.01822(12) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.404(4) . ?
C1 C6 1.409(4) . ?
C1 S2 1.771(3) . ?
C2 C3 1.361(4) . ?
C2 H2 0.95 . ?
C3 C4 1.370(4) . ?
C3 F1 1.377(3) . ?
C4 C5 1.351(4) . ?
C4 H4 0.95 . ?
C5 C6 1.370(4) . ?
C5 F2 1.377(3) . ?
C6 H6 0.95 . ?
C7 C8 1.399(3) . ?
C7 C24 1.402(3) . ?
C7 P1 1.835(2) . ?
C8 C21 1.401(3) . ?
C8 P2 1.846(2) . ?
C9 C10 1.382(3) . ?
C9 C14 1.395(3) . ?
C9 P2 1.828(2) . ?
C10 C11 1.383(3) . ?
C10 H10 0.95 . ?
C11 C12 1.379(4) . ?
C11 H11 0.95 . ?
C12 C13 1.372(4) . ?
C12 H12 0.95 . ?
C13 C14 1.391(4) . ?
C13 H13 0.95 . ?
C14 H14 0.95 . ?
C15 C16 1.390(3) . ?
C15 C20 1.394(3) . ?
C15 P2 1.825(2) . ?
C16 C17 1.391(3) . ?
C16 H16 0.95 . ?
C17 C18 1.380(4) . ?
C17 H17 0.95 . ?
C18 C19 1.383(4) . ?
C18 H18 0.95 . ?
C19 C20 1.383(3) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 C22 1.383(4) . ?
C21 H21 0.95 . ?
C22 C23 1.383(4) . ?
C22 H22 0.95 . ?
C23 C24 1.375(3) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C30 1.386(3) . ?
C25 C26 1.388(3) . ?
C25 P1 1.827(2) . ?
C26 C27 1.392(3) . ?
C26 H26 0.95 . ?
C27 C28 1.375(4) . ?
C27 H27 0.95 . ?
C28 C29 1.371(4) . ?
C28 H28 0.95 . ?
C29 C30 1.389(3) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 C32 1.392(3) . ?
C31 C36 1.392(3) . ?
C31 P1 1.821(2) . ?
C32 C33 1.387(3) . ?
C32 H32 0.95 . ?
C33 C34 1.382(4) . ?
C33 H33 0.95 . ?
C34 C35 1.382(4) . ?
C34 H34 0.95 . ?
C35 C36 1.385(3) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?
C37 C38 1.386(4) . ?
C37 C42 1.395(4) . ?
C37 S1 1.782(3) . ?
C38 C39 1.376(4) . ?
C38 H38 0.95 . ?
C39 F3 1.359(3) . ?
C39 C40 1.370(4) . ?
C40 C41 1.380(4) . ?
C40 H40 0.95 . ?
C41 F4 1.356(3) . ?
C41 C42 1.372(4) . ?
C42 H42 0.95 . ?
C43 C60 1.403(3) . ?
C43 C44 1.411(3) . ?
C43 P3 1.839(2) . ?
C44 C57 1.397(3) . ?
C44 P4 1.847(2) . ?
C45 C46 1.392(3) . ?
C45 C50 1.393(3) . ?
C45 P4 1.831(2) . ?
C46 C47 1.389(3) . ?
C46 H46 0.95 . ?
C47 C48 1.369(4) . ?
C47 H47 0.95 . ?
C48 C49 1.392(3) . ?
C48 H48 0.95 . ?
C49 C50 1.381(3) . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C56 1.388(3) . ?
C51 C52 1.395(3) . ?
C51 P4 1.831(2) . ?
C52 C53 1.384(4) . ?
C52 H52 0.95 . ?
C53 C54 1.379(4) . ?
C53 H53 0.95 . ?
C54 C55 1.377(4) . ?
C54 H54 0.95 . ?
C55 C56 1.389(3) . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 C58 1.377(3) . ?
C57 H57 0.95 . ?
C58 C59 1.391(4) . ?
C58 H58 0.95 . ?
C59 C60 1.381(3) . ?
C59 H59 0.95 . ?
C60 H60 0.95 . ?
C61 C66 1.388(4) . ?
C61 C62 1.390(3) . ?
C61 P3 1.834(2) . ?
C62 C63 1.394(4) . ?
C62 H62 0.95 . ?
C63 C64 1.371(4) . ?
C63 H63 0.95 . ?
C64 C65 1.382(4) . ?
C64 H64 0.95 . ?
C65 C66 1.378(4) . ?
C65 H65 0.95 . ?
C66 H66 0.95 . ?
C67 C72 1.387(3) . ?
C67 C68 1.395(3) . ?
C67 P3 1.826(2) . ?
C68 C69 1.382(3) . ?
C68 H68 0.95 . ?
C69 C70 1.374(4) . ?
C69 H69 0.95 . ?
C70 C71 1.381(4) . ?
C70 H70 0.95 . ?
C71 C72 1.392(3) . ?
C71 H71 0.95 . ?
C72 H72 0.95 . ?
Ag1 P3 2.4848(6) . ?
Ag1 P4 2.5234(7) . ?
Ag1 S1 2.5768(6) . ?
Ag1 S2 2.5974(6) . ?
Ag1 Ag2 3.1891(4) . ?
Ag2 P1 2.4696(6) . ?
Ag2 P2 2.4819(7) . ?
Ag2 S2 2.5698(6) . ?
Ag2 S1 2.5812(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 118.6(3) . . ?
C2 C1 S2 120.0(2) . . ?
C6 C1 S2 121.4(2) . . ?
C3 C2 C1 118.8(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 124.5(3) . . ?
C2 C3 F1 117.5(3) . . ?
C4 C3 F1 118.0(3) . . ?
C5 C4 C3 115.0(3) . . ?
C5 C4 H4 122.5 . . ?
C3 C4 H4 122.5 . . ?
C4 C5 C6 125.8(3) . . ?
C4 C5 F2 117.3(3) . . ?
C6 C5 F2 116.9(3) . . ?
C5 C6 C1 117.4(3) . . ?
C5 C6 H6 121.3 . . ?
C1 C6 H6 121.3 . . ?
C8 C7 C24 118.7(2) . . ?
C8 C7 P1 120.13(17) . . ?
C24 C7 P1 120.88(18) . . ?
C7 C8 C21 119.2(2) . . ?
C7 C8 P2 121.19(17) . . ?
C21 C8 P2 119.62(18) . . ?
C10 C9 C14 118.4(2) . . ?
C10 C9 P2 124.46(17) . . ?
C14 C9 P2 117.12(19) . . ?
C9 C10 C11 120.8(2) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C12 C11 C10 120.5(2) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C13 C12 C11 119.5(2) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C12 C13 C14 120.4(2) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C9 120.4(3) . . ?
C13 C14 H14 119.8 . . ?
C9 C14 H14 119.8 . . ?
C16 C15 C20 118.7(2) . . ?
C16 C15 P2 122.11(18) . . ?
C20 C15 P2 118.76(17) . . ?
C15 C16 C17 120.6(2) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 120.1(2) . . ?
C18 C17 H17 120 . . ?
C16 C17 H17 120 . . ?
C17 C18 C19 119.7(2) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 120.4(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C15 120.4(2) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
C22 C21 C8 121.0(2) . . ?
C22 C21 H21 119.5 . . ?
C8 C21 H21 119.5 . . ?
C21 C22 C23 119.8(2) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 120.0(2) . . ?
C24 C23 H23 120 . . ?
C22 C23 H23 120 . . ?
C23 C24 C7 121.4(2) . . ?
C23 C24 H24 119.3 . . ?
C7 C24 H24 119.3 . . ?
C30 C25 C26 118.4(2) . . ?
C30 C25 P1 117.38(18) . . ?
C26 C25 P1 124.15(18) . . ?
C25 C26 C27 120.3(2) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 120.5(2) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.7(2) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.2(2) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C25 C30 C29 120.9(2) . . ?
C25 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C32 C31 C36 119.4(2) . . ?
C32 C31 P1 123.40(18) . . ?
C36 C31 P1 117.18(17) . . ?
C33 C32 C31 120.3(2) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C34 C33 C32 119.8(2) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C33 C34 C35 120.4(2) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 120.1(2) . . ?
C34 C35 H35 120 . . ?
C36 C35 H35 120 . . ?
C35 C36 C31 120.1(2) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?
C38 C37 C42 118.6(2) . . ?
C38 C37 S1 121.2(2) . . ?
C42 C37 S1 120.1(2) . . ?
C39 C38 C37 119.7(3) . . ?
C39 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
F3 C39 C40 117.6(3) . . ?
F3 C39 C38 118.7(3) . . ?
C40 C39 C38 123.6(3) . . ?
C39 C40 C41 115.1(3) . . ?
C39 C40 H40 122.5 . . ?
C41 C40 H40 122.5 . . ?
F4 C41 C42 118.3(3) . . ?
F4 C41 C40 117.3(3) . . ?
C42 C41 C40 124.3(3) . . ?
C41 C42 C37 118.7(3) . . ?
C41 C42 H42 120.7 . . ?
C37 C42 H42 120.7 . . ?
C60 C43 C44 118.4(2) . . ?
C60 C43 P3 121.11(17) . . ?
C44 C43 P3 120.25(17) . . ?
C57 C44 C43 119.1(2) . . ?
C57 C44 P4 119.71(17) . . ?
C43 C44 P4 121.21(17) . . ?
C46 C45 C50 118.3(2) . . ?
C46 C45 P4 122.32(18) . . ?
C50 C45 P4 119.04(17) . . ?
C47 C46 C45 120.7(2) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C48 C47 C46 120.5(2) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C47 C48 C49 119.6(2) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 H48 120.2 . . ?
C50 C49 C48 120.1(2) . . ?
C50 C49 H49 120 . . ?
C48 C49 H49 120 . . ?
C49 C50 C45 120.9(2) . . ?
C49 C50 H50 119.6 . . ?
C45 C50 H50 119.6 . . ?
C56 C51 C52 118.3(2) . . ?
C56 C51 P4 124.43(17) . . ?
C52 C51 P4 117.22(18) . . ?
C53 C52 C51 120.6(2) . . ?
C53 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C54 C53 C52 120.4(2) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C55 C54 C53 119.7(2) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 120.2(2) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C51 C56 C55 120.8(2) . . ?
C51 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C58 C57 C44 121.5(2) . . ?
C58 C57 H57 119.2 . . ?
C44 C57 H57 119.2 . . ?
C57 C58 C59 119.5(2) . . ?
C57 C58 H58 120.3 . . ?
C59 C58 H58 120.3 . . ?
C60 C59 C58 120.0(2) . . ?
C60 C59 H59 120 . . ?
C58 C59 H59 120 . . ?
C59 C60 C43 121.3(2) . . ?
C59 C60 H60 119.4 . . ?
C43 C60 H60 119.4 . . ?
C66 C61 C62 119.1(2) . . ?
C66 C61 P3 121.94(18) . . ?
C62 C61 P3 119.00(19) . . ?
C61 C62 C63 120.0(3) . . ?
C61 C62 H62 120 . . ?
C63 C62 H62 120 . . ?
C64 C63 C62 120.1(3) . . ?
C64 C63 H63 120 . . ?
C62 C63 H63 120 . . ?
C63 C64 C65 120.2(3) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C66 C65 C64 120.0(3) . . ?
C66 C65 H65 120 . . ?
C64 C65 H65 120 . . ?
C65 C66 C61 120.6(3) . . ?
C65 C66 H66 119.7 . . ?
C61 C66 H66 119.7 . . ?
C72 C67 C68 119.0(2) . . ?
C72 C67 P3 122.44(18) . . ?
C68 C67 P3 118.33(17) . . ?
C69 C68 C67 120.5(2) . . ?
C69 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?
C70 C69 C68 120.3(2) . . ?
C70 C69 H69 119.8 . . ?
C68 C69 H69 119.8 . . ?
C69 C70 C71 119.8(2) . . ?
C69 C70 H70 120.1 . . ?
C71 C70 H70 120.1 . . ?
C70 C71 C72 120.4(2) . . ?
C70 C71 H71 119.8 . . ?
C72 C71 H71 119.8 . . ?
C67 C72 C71 120.0(2) . . ?
C67 C72 H72 120 . . ?
C71 C72 H72 120 . . ?
P3 Ag1 P4 82.80(2) . . ?
P3 Ag1 S1 124.92(2) . . ?
P4 Ag1 S1 120.25(2) . . ?
P3 Ag1 S2 113.42(2) . . ?
P4 Ag1 S2 122.12(2) . . ?
S1 Ag1 S2 95.84(2) . . ?
P3 Ag1 Ag2 114.262(16) . . ?
P4 Ag1 Ag2 162.890(16) . . ?
S1 Ag1 Ag2 51.870(14) . . ?
S2 Ag1 Ag2 51.501(15) . . ?
P1 Ag2 P2 83.06(2) . . ?
P1 Ag2 S2 116.20(2) . . ?
P2 Ag2 S2 122.24(2) . . ?
P1 Ag2 S1 123.45(2) . . ?
P2 Ag2 S1 117.97(2) . . ?
S2 Ag2 S1 96.42(2) . . ?
P1 Ag2 Ag1 115.720(16) . . ?
P2 Ag2 Ag1 161.179(16) . . ?
S2 Ag2 Ag1 52.279(14) . . ?
S1 Ag2 Ag1 51.746(15) . . ?
C31 P1 C25 103.15(10) . . ?
C31 P1 C7 105.75(10) . . ?
C25 P1 C7 102.10(10) . . ?
C31 P1 Ag2 121.26(8) . . ?
C25 P1 Ag2 116.74(7) . . ?
C7 P1 Ag2 105.79(8) . . ?
C15 P2 C9 105.51(10) . . ?
C15 P2 C8 104.38(10) . . ?
C9 P2 C8 101.72(10) . . ?
C15 P2 Ag2 120.67(8) . . ?
C9 P2 Ag2 116.76(7) . . ?
C8 P2 Ag2 105.45(8) . . ?
C67 P3 C61 104.20(10) . . ?
C67 P3 C43 103.72(10) . . ?
C61 P3 C43 99.96(10) . . ?
C67 P3 Ag1 125.85(8) . . ?
C61 P3 Ag1 114.86(8) . . ?
C43 P3 Ag1 104.70(7) . . ?
C45 P4 C51 104.41(10) . . ?
C45 P4 C44 103.45(10) . . ?
C51 P4 C44 103.19(10) . . ?
C45 P4 Ag1 120.18(8) . . ?
C51 P4 Ag1 118.79(7) . . ?
C44 P4 Ag1 104.47(8) . . ?
C37 S1 Ag1 105.10(8) . . ?
C37 S1 Ag2 97.49(7) . . ?
Ag1 S1 Ag2 76.384(17) . . ?
C1 S2 Ag2 111.90(8) . . ?
C1 S2 Ag1 108.74(8) . . ?
Ag2 S2 Ag1 76.220(17) . . ?

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 -0.3(4) . . . . ?
S2 C1 C2 C3 176.4(2) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
C1 C2 C3 F1 178.2(2) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
F1 C3 C4 C5 -178.9(2) . . . . ?
C3 C4 C5 C6 2.0(4) . . . . ?
C3 C4 C5 F2 -179.9(2) . . . . ?
C4 C5 C6 C1 -2.3(4) . . . . ?
F2 C5 C6 C1 179.7(2) . . . . ?
C2 C1 C6 C5 1.3(4) . . . . ?
S2 C1 C6 C5 -175.4(2) . . . . ?
C24 C7 C8 C21 2.9(3) . . . . ?
P1 C7 C8 C21 -170.90(17) . . . . ?
C24 C7 C8 P2 -178.49(18) . . . . ?
P1 C7 C8 P2 7.7(3) . . . . ?
C14 C9 C10 C11 -0.2(4) . . . . ?
P2 C9 C10 C11 178.74(18) . . . . ?
C9 C10 C11 C12 -0.1(4) . . . . ?
C10 C11 C12 C13 0.0(4) . . . . ?
C11 C12 C13 C14 0.4(5) . . . . ?
C12 C13 C14 C9 -0.8(5) . . . . ?
C10 C9 C14 C13 0.6(4) . . . . ?
P2 C9 C14 C13 -178.4(2) . . . . ?
C20 C15 C16 C17 -1.2(4) . . . . ?
P2 C15 C16 C17 -173.93(19) . . . . ?
C15 C16 C17 C18 -0.2(4) . . . . ?
C16 C17 C18 C19 0.7(4) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C18 C19 C20 C15 -1.5(4) . . . . ?
C16 C15 C20 C19 2.0(4) . . . . ?
P2 C15 C20 C19 175.0(2) . . . . ?
C7 C8 C21 C22 -1.7(4) . . . . ?
P2 C8 C21 C22 179.7(2) . . . . ?
C8 C21 C22 C23 -0.7(4) . . . . ?
C21 C22 C23 C24 1.8(4) . . . . ?
C22 C23 C24 C7 -0.5(4) . . . . ?
C8 C7 C24 C23 -1.9(4) . . . . ?
P1 C7 C24 C23 171.9(2) . . . . ?
C30 C25 C26 C27 -1.3(4) . . . . ?
P1 C25 C26 C27 -178.8(2) . . . . ?
C25 C26 C27 C28 -0.1(4) . . . . ?
C26 C27 C28 C29 1.1(4) . . . . ?
C27 C28 C29 C30 -0.5(4) . . . . ?
C26 C25 C30 C29 1.9(4) . . . . ?
P1 C25 C30 C29 179.51(19) . . . . ?
C28 C29 C30 C25 -1.0(4) . . . . ?
C36 C31 C32 C33 -0.7(3) . . . . ?
P1 C31 C32 C33 -178.71(18) . . . . ?
C31 C32 C33 C34 0.6(4) . . . . ?
C32 C33 C34 C35 -0.4(4) . . . . ?
C33 C34 C35 C36 0.3(4) . . . . ?
C34 C35 C36 C31 -0.4(4) . . . . ?
C32 C31 C36 C35 0.6(3) . . . . ?
P1 C31 C36 C35 178.75(18) . . . . ?
C42 C37 C38 C39 -0.6(3) . . . . ?
S1 C37 C38 C39 -178.70(18) . . . . ?
C37 C38 C39 F3 179.6(2) . . . . ?
C37 C38 C39 C40 -0.3(4) . . . . ?
F3 C39 C40 C41 -179.5(2) . . . . ?
C38 C39 C40 C41 0.5(4) . . . . ?
C39 C40 C41 F4 -179.7(2) . . . . ?
C39 C40 C41 C42 0.4(4) . . . . ?
F4 C41 C42 C37 178.8(2) . . . . ?
C40 C41 C42 C37 -1.3(4) . . . . ?
C38 C37 C42 C41 1.4(3) . . . . ?
S1 C37 C42 C41 179.49(18) . . . . ?
C60 C43 C44 C57 5.4(3) . . . . ?
P3 C43 C44 C57 -169.24(17) . . . . ?
C60 C43 C44 P4 -172.74(17) . . . . ?
P3 C43 C44 P4 12.6(3) . . . . ?
C50 C45 C46 C47 -1.3(3) . . . . ?
P4 C45 C46 C47 -174.31(18) . . . . ?
C45 C46 C47 C48 0.1(4) . . . . ?
C46 C47 C48 C49 0.7(4) . . . . ?
C47 C48 C49 C50 -0.3(4) . . . . ?
C48 C49 C50 C45 -1.0(4) . . . . ?
C46 C45 C50 C49 1.7(4) . . . . ?
P4 C45 C50 C49 174.99(19) . . . . ?
C56 C51 C52 C53 1.8(4) . . . . ?
P4 C51 C52 C53 -177.3(2) . . . . ?
C51 C52 C53 C54 -1.8(4) . . . . ?
C52 C53 C54 C55 0.8(4) . . . . ?
C53 C54 C55 C56 0.2(4) . . . . ?
C52 C51 C56 C55 -0.8(4) . . . . ?
P4 C51 C56 C55 178.21(18) . . . . ?
C54 C55 C56 C51 -0.1(4) . . . . ?
C43 C44 C57 C58 -4.4(3) . . . . ?
P4 C44 C57 C58 173.72(19) . . . . ?
C44 C57 C58 C59 0.5(4) . . . . ?
C57 C58 C59 C60 2.4(4) . . . . ?
C58 C59 C60 C43 -1.4(4) . . . . ?
C44 C43 C60 C59 -2.6(3) . . . . ?
P3 C43 C60 C59 171.99(19) . . . . ?
C66 C61 C62 C63 -0.2(4) . . . . ?
P3 C61 C62 C63 178.89(19) . . . . ?
C61 C62 C63 C64 0.9(4) . . . . ?
C62 C63 C64 C65 -1.2(4) . . . . ?
C63 C64 C65 C66 0.8(4) . . . . ?
C64 C65 C66 C61 -0.2(4) . . . . ?
C62 C61 C66 C65 -0.1(4) . . . . ?
P3 C61 C66 C65 -179.2(2) . . . . ?
C72 C67 C68 C69 1.6(4) . . . . ?
P3 C67 C68 C69 175.89(19) . . . . ?
C67 C68 C69 C70 -1.1(4) . . . . ?
C68 C69 C70 C71 -0.1(4) . . . . ?
C69 C70 C71 C72 0.9(4) . . . . ?
C68 C67 C72 C71 -0.9(4) . . . . ?
P3 C67 C72 C71 -174.9(2) . . . . ?
C70 C71 C72 C67 -0.3(4) . . . . ?
C32 C31 P1 C25 29.9(2) . . . . ?
C36 C31 P1 C25 -148.12(18) . . . . ?
C32 C31 P1 C7 -76.9(2) . . . . ?
C36 C31 P1 C7 105.04(19) . . . . ?
C32 C31 P1 Ag2 162.97(16) . . . . ?
C36 C31 P1 Ag2 -15.1(2) . . . . ?
C30 C25 P1 C31 69.2(2) . . . . ?
C26 C25 P1 C31 -113.3(2) . . . . ?
C30 C25 P1 C7 178.78(19) . . . . ?
C26 C25 P1 C7 -3.7(2) . . . . ?
C30 C25 P1 Ag2 -66.4(2) . . . . ?
C26 C25 P1 Ag2 111.1(2) . . . . ?
C8 C7 P1 C31 -149.69(18) . . . . ?
C24 C7 P1 C31 36.6(2) . . . . ?
C8 C7 P1 C25 102.71(19) . . . . ?
C24 C7 P1 C25 -71.0(2) . . . . ?
C8 C7 P1 Ag2 -19.9(2) . . . . ?
C24 C7 P1 Ag2 166.42(18) . . . . ?
C16 C15 P2 C9 -138.2(2) . . . . ?
C20 C15 P2 C9 49.0(2) . . . . ?
C16 C15 P2 C8 -31.4(2) . . . . ?
C20 C15 P2 C8 155.83(19) . . . . ?
C16 C15 P2 Ag2 86.7(2) . . . . ?
C20 C15 P2 Ag2 -86.0(2) . . . . ?
C10 C9 P2 C15 15.8(2) . . . . ?
C14 C9 P2 C15 -165.2(2) . . . . ?
C10 C9 P2 C8 -92.9(2) . . . . ?
C14 C9 P2 C8 86.1(2) . . . . ?
C10 C9 P2 Ag2 152.96(18) . . . . ?
C14 C9 P2 Ag2 -28.1(2) . . . . ?
C7 C8 P2 C15 136.80(18) . . . . ?
C21 C8 P2 C15 -44.6(2) . . . . ?
C7 C8 P2 C9 -113.62(19) . . . . ?
C21 C8 P2 C9 65.0(2) . . . . ?
C7 C8 P2 Ag2 8.68(19) . . . . ?
C21 C8 P2 Ag2 -172.73(17) . . . . ?
C72 C67 P3 C61 -24.8(2) . . . . ?
C68 C67 P3 C61 161.13(19) . . . . ?
C72 C67 P3 C43 -129.1(2) . . . . ?
C68 C67 P3 C43 56.9(2) . . . . ?
C72 C67 P3 Ag1 111.0(2) . . . . ?
C68 C67 P3 Ag1 -63.0(2) . . . . ?
C66 C61 P3 C67 -60.2(2) . . . . ?
C62 C61 P3 C67 120.7(2) . . . . ?
C66 C61 P3 C43 46.9(2) . . . . ?
C62 C61 P3 C43 -132.23(19) . . . . ?
C66 C61 P3 Ag1 158.29(18) . . . . ?
C62 C61 P3 Ag1 -20.8(2) . . . . ?
C60 C43 P3 C67 26.1(2) . . . . ?
C44 C43 P3 C67 -159.39(18) . . . . ?
C60 C43 P3 C61 -81.3(2) . . . . ?
C44 C43 P3 C61 93.19(19) . . . . ?
C60 C43 P3 Ag1 159.56(17) . . . . ?
C44 C43 P3 Ag1 -25.98(19) . . . . ?
C46 C45 P4 C51 -133.2(2) . . . . ?
C50 C45 P4 C51 53.8(2) . . . . ?
C46 C45 P4 C44 -25.5(2) . . . . ?
C50 C45 P4 C44 161.48(19) . . . . ?
C46 C45 P4 Ag1 90.4(2) . . . . ?
C50 C45 P4 Ag1 -82.65(19) . . . . ?
C56 C51 P4 C45 15.7(2) . . . . ?
C52 C51 P4 C45 -165.27(19) . . . . ?
C56 C51 P4 C44 -92.2(2) . . . . ?
C52 C51 P4 C44 86.9(2) . . . . ?
C56 C51 P4 Ag1 152.89(17) . . . . ?
C52 C51 P4 Ag1 -28.1(2) . . . . ?
C57 C44 P4 C45 -44.0(2) . . . . ?
C43 C44 P4 C45 134.12(18) . . . . ?
C57 C44 P4 C51 64.6(2) . . . . ?
C43 C44 P4 C51 -117.28(19) . . . . ?
C57 C44 P4 Ag1 -170.53(17) . . . . ?
C43 C44 P4 Ag1 7.57(19) . . . . ?
C38 C37 S1 Ag1 -29.9(2) . . . . ?
C42 C37 S1 Ag1 152.03(17) . . . . ?
C38 C37 S1 Ag2 -107.78(18) . . . . ?
C42 C37 S1 Ag2 74.18(19) . . . . ?
C2 C1 S2 Ag2 120.39(19) . . . . ?
C6 C1 S2 Ag2 -63.0(2) . . . . ?
C2 C1 S2 Ag1 38.1(2) . . . . ?
C6 C1 S2 Ag1 -145.26(19) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C36 H36 S2 0.95 2.97 3.900(2) 166.2 .
C62 H62 S2 0.95 2.81 3.749(3) 171.8 .

####################################################################### 
# 
# 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_2A
_database_code_depnum_ccdc_archive 'CCDC 1454821'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-06-21 downloaded from the CCDC.
;


_audit_creation_date             2015-11-27T11:13:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C64 H50 Ag2 F4 P4 S2'
_chemical_formula_sum            'C64 H50 Ag2 F4 P4 S2'
_chemical_formula_weight         1298.78

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7331(4)
_cell_length_b                   11.9626(4)
_cell_length_c                   21.2821(6)
_cell_angle_alpha                92.527(2)
_cell_angle_beta                 92.533(2)
_cell_angle_gamma                102.148(3)
_cell_volume                     2913.02(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    11039
_cell_measurement_theta_min      3.447
_cell_measurement_theta_max      29.6499

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.25
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_F_000             1312
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-13 -3 16 0.1312
13 3 -16 0.1312
6 10 18 0.2332
12 -11 14 0.1363
-12 11 -14 0.1363
-15 2 -13 0.0733
14 0 12 0.1773
2 16 -4 0.1991
-3 -16 3 0.2525
2 -1 30 0.2123
-2 1 -30 0.2123
-8 12 18 0.197
8 -12 -18 0.197

_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_T_max  0.852
_shelx_estimated_absorpt_T_min   0.691
_shelx_estimated_absorpt_T_max   0.805

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4685
_diffrn_orient_matrix_ub_11      -0.0359984
_diffrn_orient_matrix_ub_12      0.0357639
_diffrn_orient_matrix_ub_13      0.0120455
_diffrn_orient_matrix_ub_21      -0.0022852
_diffrn_orient_matrix_ub_22      0.0244352
_diffrn_orient_matrix_ub_23      -0.0296754
_diffrn_orient_matrix_ub_31      -0.0503414
_diffrn_orient_matrix_ub_32      -0.0425849
_diffrn_orient_matrix_ub_33      -0.0095167
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_number            39153
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.447
_diffrn_reflns_theta_max         29.65
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.854
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.854
_reflns_Friedel_coverage         0
_reflns_number_total             14065
_reflns_number_gt                10136
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    
;
      'SHELXS-2014 (Sheldrick, 2008)'
      G. M. Sheldrick, Acta Crystallogr., Sect. A: 
      Found. Crystallogr., 2008, 64, 112-122.
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
          'Ortep-3 for Windows (Farrugia, 1997)'
      L. J. Farrugia, J. Appl. Crystallogr., 1997, 30, 565.
;
_computing_publication_material  
;	
        'WinGX publication routines (Farrugia, 1999)'				 
	L. J. Farrugia, J. Appl. Crystallogr., 1999, 32, 837-838.
;

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0266P)²+1.3556P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14065
_refine_ls_number_parameters     685
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.0814
_refine_ls_wR_factor_gt          0.0696
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.491
_refine_diff_density_rms         0.065

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
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'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4054(2) 0.3971(3) 0.84574(12) 0.0448(7) Uani 1 1 d . . . . .
C2 C 0.5096(3) 0.4147(3) 0.88226(15) 0.0616(8) Uani 1 1 d . . . . .
H2 H 0.5555 0.4882 0.8887 0.074 Uiso 1 1 calc R U . . .
C3 C 0.5448(3) 0.3247(4) 0.90866(18) 0.0772(11) Uani 1 1 d . . . . .
C4 C 0.4803(4) 0.2159(4) 0.89894(19) 0.0761(11) Uani 1 1 d . . . . .
C5 C 0.3811(3) 0.1943(3) 0.86210(17) 0.0656(9) Uani 1 1 d . . . . .
H5 H 0.3383 0.1198 0.8548 0.079 Uiso 1 1 calc R U . . .
C6 C 0.3434(3) 0.2849(3) 0.83519(14) 0.0523(7) Uani 1 1 d . . . . .
H6 H 0.2752 0.2701 0.8095 0.063 Uiso 1 1 calc R U . . .
C7 C 0.1110(2) 0.2183(2) 0.67193(12) 0.0432(6) Uani 1 1 d . . . . .
C8 C 0.0084(3) 0.1417(3) 0.65025(15) 0.0624(9) Uani 1 1 d . . . . .
H8 H -0.0592 0.1683 0.6414 0.075 Uiso 1 1 calc R U . . .
C9 C 0.0075(4) 0.0282(3) 0.64205(18) 0.0788(11) Uani 1 1 d . . . . .
C10 C 0.1052(4) -0.0143(3) 0.6550(2) 0.0819(12) Uani 1 1 d . . . . .
C11 C 0.2054(3) 0.0576(3) 0.67569(19) 0.0772(11) Uani 1 1 d . . . . .
H11 H 0.2721 0.0293 0.6844 0.093 Uiso 1 1 calc R U . . .
C12 C 0.2089(3) 0.1736(3) 0.68398(16) 0.0566(8) Uani 1 1 d . . . . .
H12 H 0.2786 0.2228 0.698 0.068 Uiso 1 1 calc R U . . .
C13 C 0.4678(2) 0.6290(2) 0.58489(12) 0.0427(6) Uani 1 1 d . . . . .
H13 H 0.4973 0.6854 0.5576 0.051 Uiso 1 1 calc R U . . .
C14 C 0.5103(2) 0.5346(2) 0.58424(12) 0.0392(6) Uani 1 1 d . . . . .
H14 H 0.5683 0.5292 0.5566 0.047 Uiso 1 1 calc R U . . .
C15 C 0.5980(2) 0.3812(2) 0.66368(12) 0.0381(6) Uani 1 1 d . . . . .
C16 C 0.5969(3) 0.3357(3) 0.72157(14) 0.0538(8) Uani 1 1 d . . . . .
H16 H 0.5288 0.324 0.7434 0.065 Uiso 1 1 calc R U . . .
C17 C 0.6958(3) 0.3069(3) 0.74800(16) 0.0652(9) Uani 1 1 d . . . . .
H17 H 0.6933 0.2744 0.787 0.078 Uiso 1 1 calc R U . . .
C18 C 0.7963(3) 0.3256(3) 0.71757(17) 0.0622(9) Uani 1 1 d . . . . .
H18 H 0.8628 0.3067 0.7357 0.075 Uiso 1 1 calc R U . . .
C19 C 0.7997(3) 0.3722(3) 0.66052(19) 0.0766(11) Uani 1 1 d . . . . .
H19 H 0.8691 0.3862 0.6398 0.092 Uiso 1 1 calc R U . . .
C20 C 0.7007(3) 0.3991(3) 0.63294(16) 0.0670(10) Uani 1 1 d . . . . .
H20 H 0.7035 0.4294 0.5934 0.08 Uiso 1 1 calc R U . . .
C21 C 0.4042(2) 0.3004(2) 0.57439(12) 0.0384(6) Uani 1 1 d . . . . .
C22 C 0.4461(3) 0.2007(3) 0.56915(15) 0.0556(8) Uani 1 1 d . . . . .
H22 H 0.5117 0.1936 0.5935 0.067 Uiso 1 1 calc R U . . .
C23 C 0.3903(3) 0.1116(3) 0.52778(19) 0.0753(10) Uani 1 1 d . . . . .
H23 H 0.4181 0.0444 0.5248 0.09 Uiso 1 1 calc R U . . .
C24 C 0.2950(4) 0.1218(3) 0.49135(19) 0.0807(11) Uani 1 1 d . . . . .
H24 H 0.2584 0.0618 0.4633 0.097 Uiso 1 1 calc R U . . .
C25 C 0.2528(3) 0.2196(3) 0.49573(17) 0.0727(10) Uani 1 1 d . . . . .
H25 H 0.1879 0.2263 0.4706 0.087 Uiso 1 1 calc R U . . .
C26 C 0.3064(2) 0.3085(3) 0.53740(14) 0.0532(7) Uani 1 1 d . . . . .
H26 H 0.2766 0.3746 0.5407 0.064 Uiso 1 1 calc R U . . .
C27 C 0.4178(2) 0.7923(2) 0.67657(13) 0.0456(7) Uani 1 1 d . . . . .
C28 C 0.4998(3) 0.8776(3) 0.65336(17) 0.0660(9) Uani 1 1 d . . . . .
H28 H 0.5273 0.8667 0.6137 0.079 Uiso 1 1 calc R U . . .
C29 C 0.5426(3) 0.9801(3) 0.6883(2) 0.0833(12) Uani 1 1 d . . . . .
H29 H 0.5979 1.0375 0.6721 0.1 Uiso 1 1 calc R U . . .
C30 C 0.5025(4) 0.9956(4) 0.7467(2) 0.0909(13) Uani 1 1 d . . . . .
H30 H 0.5298 1.0644 0.77 0.109 Uiso 1 1 calc R U . . .
C31 C 0.4242(5) 0.9126(4) 0.7707(2) 0.0989(14) Uani 1 1 d . . . . .
H31 H 0.3989 0.9236 0.8109 0.119 Uiso 1 1 calc R U . . .
C32 C 0.3807(4) 0.8111(3) 0.73638(17) 0.0741(10) Uani 1 1 d . . . . .
H32 H 0.3258 0.7545 0.7535 0.089 Uiso 1 1 calc R U . . .
C33 C 0.2439(2) 0.6826(2) 0.58023(13) 0.0436(6) Uani 1 1 d . . . . .
C34 C 0.1332(3) 0.6203(3) 0.58103(17) 0.0697(10) Uani 1 1 d . . . . .
H34 H 0.116 0.5644 0.6102 0.084 Uiso 1 1 calc R U . . .
C35 C 0.0452(3) 0.6377(4) 0.5396(2) 0.0869(12) Uani 1 1 d . . . . .
H35 H -0.03 0.5939 0.5414 0.104 Uiso 1 1 calc R U . . .
C36 C 0.0678(4) 0.7178(4) 0.49677(18) 0.0796(11) Uani 1 1 d . . . . .
H36 H 0.0086 0.7302 0.4692 0.096 Uiso 1 1 calc R U . . .
C37 C 0.1776(4) 0.7798(4) 0.4944(2) 0.1040(16) Uani 1 1 d . . . . .
H37 H 0.1941 0.8344 0.4645 0.125 Uiso 1 1 calc R U . . .
C38 C 0.2659(3) 0.7633(4) 0.53590(19) 0.0861(13) Uani 1 1 d . . . . .
H38 H 0.341 0.8072 0.5337 0.103 Uiso 1 1 calc R U . . .
C39 C -0.0514(3) 0.4176(3) 0.91839(14) 0.0506(7) Uani 1 1 d . . . . .
H39 H -0.094 0.3913 0.9526 0.061 Uiso 1 1 calc R U . . .
C40 C -0.0544(3) 0.5212(3) 0.89989(14) 0.0520(7) Uani 1 1 d . . . . .
H40 H -0.0973 0.5641 0.9229 0.062 Uiso 1 1 calc R U . . .
C41 C -0.0969(3) 0.6276(2) 0.78637(14) 0.0496(7) Uani 1 1 d . . . . .
C42 C -0.2108(3) 0.6128(3) 0.80304(19) 0.0726(10) Uani 1 1 d . . . . .
H42 H -0.2322 0.5791 0.8405 0.087 Uiso 1 1 calc R U . . .
C43 C -0.2939(4) 0.6472(4) 0.7650(3) 0.0944(14) Uani 1 1 d . . . . .
H43 H -0.3706 0.6367 0.777 0.113 Uiso 1 1 calc R U . . .
C44 C -0.2641(5) 0.6964(4) 0.7103(3) 0.1002(16) Uani 1 1 d . . . . .
H44 H -0.32 0.7201 0.6849 0.12 Uiso 1 1 calc R U . . .
C45 C -0.1528(5) 0.7109(4) 0.6926(2) 0.1049(16) Uani 1 1 d . . . . .
H45 H -0.1327 0.7444 0.6549 0.126 Uiso 1 1 calc R U . . .
C46 C -0.0686(4) 0.6763(3) 0.73016(18) 0.0817(11) Uani 1 1 d . . . . .
H46 H 0.0074 0.6859 0.7173 0.098 Uiso 1 1 calc R U . . .
C47 C 0.1014(3) 0.7202(2) 0.87050(13) 0.0469(7) Uani 1 1 d . . . . .
C48 C 0.2019(3) 0.7180(3) 0.90525(16) 0.0702(10) Uani 1 1 d . . . . .
H48 H 0.2265 0.6492 0.908 0.084 Uiso 1 1 calc R U . . .
C49 C 0.2677(4) 0.8161(4) 0.93634(18) 0.0806(11) Uani 1 1 d . . . . .
H49 H 0.3359 0.8128 0.9595 0.097 Uiso 1 1 calc R U . . .
C50 C 0.2328(4) 0.9173(3) 0.93300(17) 0.0758(10) Uani 1 1 d . . . . .
H50 H 0.276 0.9831 0.9545 0.091 Uiso 1 1 calc R U . . .
C51 C 0.1351(4) 0.9214(3) 0.8983(2) 0.0925(13) Uani 1 1 d . . . . .
H51 H 0.1119 0.9908 0.8953 0.111 Uiso 1 1 calc R U . . .
C52 C 0.0685(3) 0.8234(3) 0.86702(19) 0.0758(11) Uani 1 1 d . . . . .
H52 H 0.0011 0.8278 0.8435 0.091 Uiso 1 1 calc R U . . .
C53 C 0.1183(3) 0.2908(3) 0.94786(13) 0.0486(7) Uani 1 1 d . . . . .
C54 C 0.0867(3) 0.1944(3) 0.98185(16) 0.0717(10) Uani 1 1 d . . . . .
H54 H 0.0154 0.1441 0.9723 0.086 Uiso 1 1 calc R U . . .
C55 C 0.1604(4) 0.1721(4) 1.02990(19) 0.0891(13) Uani 1 1 d . . . . .
H55 H 0.1381 0.1073 1.0528 0.107 Uiso 1 1 calc R U . . .
C56 C 0.2651(4) 0.2442(4) 1.04399(18) 0.0870(13) Uani 1 1 d . . . . .
H56 H 0.315 0.2278 1.0758 0.104 Uiso 1 1 calc R U . . .
C57 C 0.2972(3) 0.3412(4) 1.01126(17) 0.0784(11) Uani 1 1 d . . . . .
H57 H 0.3684 0.3913 1.0213 0.094 Uiso 1 1 calc R U . . .
C58 C 0.2234(3) 0.3643(3) 0.96334(14) 0.0612(8) Uani 1 1 d . . . . .
H58 H 0.2452 0.4303 0.9414 0.073 Uiso 1 1 calc R U . . .
C59 C -0.0736(3) 0.1907(2) 0.86111(13) 0.0478(7) Uani 1 1 d . . . . .
C60 C -0.0466(3) 0.1186(3) 0.81397(16) 0.0661(9) Uani 1 1 d . . . . .
H60 H 0.0223 0.1405 0.7934 0.079 Uiso 1 1 calc R U . . .
C61 C -0.1203(4) 0.0147(3) 0.79701(18) 0.0798(11) Uani 1 1 d . . . . .
H61 H -0.1 -0.0336 0.7659 0.096 Uiso 1 1 calc R U . . .
C62 C -0.2223(4) -0.0171(3) 0.8256(2) 0.0784(11) Uani 1 1 d . . . . .
H62 H -0.272 -0.0869 0.8138 0.094 Uiso 1 1 calc R U . . .
C63 C -0.2520(3) 0.0525(3) 0.8712(2) 0.0781(11) Uani 1 1 d . . . . .
H63 H -0.3222 0.0304 0.8904 0.094 Uiso 1 1 calc R U . . .
C64 C -0.1783(3) 0.1561(3) 0.88925(16) 0.0637(9) Uani 1 1 d . . . . .
H64 H -0.1994 0.2031 0.9207 0.076 Uiso 1 1 calc R U . . .
Ag1 Ag 0.13007(2) 0.44012(2) 0.79578(2) 0.04767(7) Uani 1 1 d . . . . .
Ag2 Ag 0.31840(2) 0.48080(2) 0.69867(2) 0.04033(6) Uani 1 1 d . . . . .
F1 F 0.6438(2) 0.3432(3) 0.94541(14) 0.1331(11) Uani 1 1 d . . . . .
F2 F 0.5173(2) 0.1295(2) 0.92795(14) 0.1238(10) Uani 1 1 d . . . . .
F3 F -0.0934(3) -0.0447(2) 0.62142(15) 0.1431(12) Uani 1 1 d . . . . .
F4 F 0.0993(3) -0.12842(19) 0.64670(16) 0.1374(11) Uani 1 1 d . . . . .
P1 P 0.35465(6) 0.65388(6) 0.63640(3) 0.03844(16) Uani 1 1 d . . . . .
P2 P 0.46337(6) 0.41593(6) 0.63328(3) 0.03520(15) Uani 1 1 d . . . . .
P3 P 0.03151(7) 0.32386(6) 0.88061(3) 0.04518(18) Uani 1 1 d . . . . .
P4 P 0.01930(7) 0.58585(6) 0.83266(3) 0.04441(18) Uani 1 1 d . . . . .
S1 S 0.35689(6) 0.51552(6) 0.81763(3) 0.04684(17) Uani 1 1 d . . . . .
S2 S 0.10922(5) 0.36400(6) 0.67969(3) 0.04009(15) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 1.388(4) . ?
C1 C2 1.392(4) . ?
C1 S1 1.753(3) . ?
C2 C3 1.366(5) . ?
C2 H2 0.93 . ?
C3 F1 1.344(4) . ?
C3 C4 1.363(5) . ?
C4 C5 1.346(5) . ?
C4 F2 1.363(4) . ?
C5 C6 1.390(4) . ?
C5 H5 0.93 . ?
C6 H6 0.93 . ?
C7 C12 1.383(4) . ?
C7 C8 1.397(4) . ?
C7 S2 1.748(3) . ?
C8 C9 1.359(5) . ?
C8 H8 0.93 . ?
C9 F3 1.356(4) . ?
C9 C10 1.370(6) . ?
C10 C11 1.346(5) . ?
C10 F4 1.356(4) . ?
C11 C12 1.384(4) . ?
C11 H11 0.93 . ?
C12 H12 0.93 . ?
C13 C14 1.326(4) . ?
C13 P1 1.822(3) . ?
C13 H13 0.93 . ?
C14 P2 1.806(3) . ?
C14 H14 0.93 . ?
C15 C16 1.368(4) . ?
C15 C20 1.378(4) . ?
C15 P2 1.816(2) . ?
C16 C17 1.382(4) . ?
C16 H16 0.93 . ?
C17 C18 1.352(4) . ?
C17 H17 0.93 . ?
C18 C19 1.357(5) . ?
C18 H18 0.93 . ?
C19 C20 1.382(4) . ?
C19 H19 0.93 . ?
C20 H20 0.93 . ?
C21 C22 1.384(4) . ?
C21 C26 1.386(4) . ?
C21 P2 1.825(3) . ?
C22 C23 1.382(5) . ?
C22 H22 0.93 . ?
C23 C24 1.363(5) . ?
C23 H23 0.93 . ?
C24 C25 1.364(5) . ?
C24 H24 0.93 . ?
C25 C26 1.378(4) . ?
C25 H25 0.93 . ?
C26 H26 0.93 . ?
C27 C28 1.372(4) . ?
C27 C32 1.388(4) . ?
C27 P1 1.824(3) . ?
C28 C29 1.392(5) . ?
C28 H28 0.93 . ?
C29 C30 1.366(6) . ?
C29 H29 0.93 . ?
C30 C31 1.339(6) . ?
C30 H30 0.93 . ?
C31 C32 1.377(5) . ?
C31 H31 0.93 . ?
C32 H32 0.93 . ?
C33 C34 1.356(4) . ?
C33 C38 1.373(4) . ?
C33 P1 1.823(3) . ?
C34 C35 1.383(5) . ?
C34 H34 0.93 . ?
C35 C36 1.346(5) . ?
C35 H35 0.93 . ?
C36 C37 1.348(5) . ?
C36 H36 0.93 . ?
C37 C38 1.383(5) . ?
C37 H37 0.93 . ?
C38 H38 0.93 . ?
C39 C40 1.324(4) . ?
C39 P3 1.816(3) . ?
C39 H39 0.93 . ?
C40 P4 1.822(3) . ?
C40 H40 0.93 . ?
C41 C42 1.376(4) . ?
C41 C46 1.376(5) . ?
C41 P4 1.814(3) . ?
C42 C43 1.380(5) . ?
C42 H42 0.93 . ?
C43 C44 1.354(6) . ?
C43 H43 0.93 . ?
C44 C45 1.352(7) . ?
C44 H44 0.93 . ?
C45 C46 1.385(5) . ?
C45 H45 0.93 . ?
C46 H46 0.93 . ?
C47 C48 1.370(4) . ?
C47 C52 1.373(4) . ?
C47 P4 1.824(3) . ?
C48 C49 1.384(5) . ?
C48 H48 0.93 . ?
C49 C50 1.362(5) . ?
C49 H49 0.93 . ?
C50 C51 1.347(5) . ?
C50 H50 0.93 . ?
C51 C52 1.388(5) . ?
C51 H51 0.93 . ?
C52 H52 0.93 . ?
C53 C58 1.373(4) . ?
C53 C54 1.382(4) . ?
C53 P3 1.825(3) . ?
C54 C55 1.381(5) . ?
C54 H54 0.93 . ?
C55 C56 1.357(6) . ?
C55 H55 0.93 . ?
C56 C57 1.373(6) . ?
C56 H56 0.93 . ?
C57 C58 1.383(5) . ?
C57 H57 0.93 . ?
C58 H58 0.93 . ?
C59 C64 1.383(4) . ?
C59 C60 1.385(4) . ?
C59 P3 1.817(3) . ?
C60 C61 1.379(5) . ?
C60 H60 0.93 . ?
C61 C62 1.356(5) . ?
C61 H61 0.93 . ?
C62 C63 1.356(5) . ?
C62 H62 0.93 . ?
C63 C64 1.381(5) . ?
C63 H63 0.93 . ?
C64 H64 0.93 . ?
Ag1 P3 2.5020(7) . ?
Ag1 P4 2.5035(7) . ?
Ag1 S2 2.5784(7) . ?
Ag1 S1 2.6373(8) . ?
Ag1 Ag2 3.0710(3) . ?
Ag2 P2 2.4703(7) . ?
Ag2 P1 2.4788(7) . ?
Ag2 S1 2.5521(7) . ?
Ag2 S2 2.5610(7) . ?

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 117.2(3) . . ?
C6 C1 S1 123.5(2) . . ?
C2 C1 S1 119.2(2) . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
F1 C3 C4 119.1(4) . . ?
F1 C3 C2 119.8(4) . . ?
C4 C3 C2 121.1(3) . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 F2 120.6(4) . . ?
C3 C4 F2 118.8(4) . . ?
C4 C5 C6 119.2(3) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C1 C6 C5 121.5(3) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C12 C7 C8 117.4(3) . . ?
C12 C7 S2 124.2(2) . . ?
C8 C7 S2 118.4(2) . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120 . . ?
C7 C8 H8 120 . . ?
F3 C9 C8 118.9(4) . . ?
F3 C9 C10 119.5(4) . . ?
C8 C9 C10 121.7(3) . . ?
C11 C10 F4 120.9(4) . . ?
C11 C10 C9 119.7(3) . . ?
F4 C10 C9 119.4(4) . . ?
C10 C11 C12 119.8(4) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 121.5(3) . . ?
C7 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C14 C13 P1 123.4(2) . . ?
C14 C13 H13 118.3 . . ?
P1 C13 H13 118.3 . . ?
C13 C14 P2 124.6(2) . . ?
C13 C14 H14 117.7 . . ?
P2 C14 H14 117.7 . . ?
C16 C15 C20 118.3(2) . . ?
C16 C15 P2 117.2(2) . . ?
C20 C15 P2 124.6(2) . . ?
C15 C16 C17 120.7(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 120.4(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.8(3) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C20 120.4(3) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C15 C20 C19 120.4(3) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C26 118.6(3) . . ?
C22 C21 P2 122.8(2) . . ?
C26 C21 P2 118.3(2) . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120 . . ?
C21 C22 H22 120 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.3(3) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C26 119.9(3) . . ?
C24 C25 H25 120 . . ?
C26 C25 H25 120 . . ?
C25 C26 C21 120.6(3) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
C28 C27 C32 117.8(3) . . ?
C28 C27 P1 125.8(2) . . ?
C32 C27 P1 116.4(2) . . ?
C27 C28 C29 121.0(4) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C30 C29 C28 119.3(4) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C31 C30 C29 120.6(4) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C32 120.6(4) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C31 C32 C27 120.7(4) . . ?
C31 C32 H32 119.6 . . ?
C27 C32 H32 119.6 . . ?
C34 C33 C38 117.3(3) . . ?
C34 C33 P1 118.9(2) . . ?
C38 C33 P1 123.8(2) . . ?
C33 C34 C35 121.8(3) . . ?
C33 C34 H34 119.1 . . ?
C35 C34 H34 119.1 . . ?
C36 C35 C34 120.4(4) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 119.0(3) . . ?
C35 C36 H36 120.5 . . ?
C37 C36 H36 120.5 . . ?
C36 C37 C38 120.9(4) . . ?
C36 C37 H37 119.5 . . ?
C38 C37 H37 119.5 . . ?
C33 C38 C37 120.6(4) . . ?
C33 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C40 C39 P3 123.6(2) . . ?
C40 C39 H39 118.2 . . ?
P3 C39 H39 118.2 . . ?
C39 C40 P4 124.8(2) . . ?
C39 C40 H40 117.6 . . ?
P4 C40 H40 117.6 . . ?
C42 C41 C46 118.0(3) . . ?
C42 C41 P4 124.7(3) . . ?
C46 C41 P4 117.3(3) . . ?
C41 C42 C43 121.0(4) . . ?
C41 C42 H42 119.5 . . ?
C43 C42 H42 119.5 . . ?
C44 C43 C42 120.1(4) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 120.0(4) . . ?
C45 C44 H44 120 . . ?
C43 C44 H44 120 . . ?
C44 C45 C46 120.6(4) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
C41 C46 C45 120.4(4) . . ?
C41 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C48 C47 C52 117.7(3) . . ?
C48 C47 P4 117.9(2) . . ?
C52 C47 P4 124.3(2) . . ?
C47 C48 C49 121.3(3) . . ?
C47 C48 H48 119.4 . . ?
C49 C48 H48 119.4 . . ?
C50 C49 C48 120.1(4) . . ?
C50 C49 H49 120 . . ?
C48 C49 H49 120 . . ?
C51 C50 C49 119.4(4) . . ?
C51 C50 H50 120.3 . . ?
C49 C50 H50 120.3 . . ?
C50 C51 C52 120.9(4) . . ?
C50 C51 H51 119.6 . . ?
C52 C51 H51 119.6 . . ?
C47 C52 C51 120.6(3) . . ?
C47 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C58 C53 C54 118.7(3) . . ?
C58 C53 P3 117.4(2) . . ?
C54 C53 P3 123.9(3) . . ?
C55 C54 C53 120.4(4) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C56 C55 C54 120.4(4) . . ?
C56 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
C55 C56 C57 120.0(4) . . ?
C55 C56 H56 120 . . ?
C57 C56 H56 120 . . ?
C56 C57 C58 119.8(4) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 H57 120.1 . . ?
C53 C58 C57 120.7(3) . . ?
C53 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C64 C59 C60 117.6(3) . . ?
C64 C59 P3 125.3(3) . . ?
C60 C59 P3 117.1(2) . . ?
C61 C60 C59 121.0(3) . . ?
C61 C60 H60 119.5 . . ?
C59 C60 H60 119.5 . . ?
C62 C61 C60 120.1(4) . . ?
C62 C61 H61 120 . . ?
C60 C61 H61 120 . . ?
C63 C62 C61 120.3(4) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 120.3(4) . . ?
C62 C63 H63 119.9 . . ?
C64 C63 H63 119.9 . . ?
C63 C64 C59 120.8(3) . . ?
C63 C64 H64 119.6 . . ?
C59 C64 H64 119.6 . . ?
P3 Ag1 P4 84.57(2) . . ?
P3 Ag1 S2 121.70(3) . . ?
P4 Ag1 S2 120.54(2) . . ?
P3 Ag1 S1 114.40(3) . . ?
P4 Ag1 S1 111.16(3) . . ?
S2 Ag1 S1 104.06(2) . . ?
P3 Ag1 Ag2 149.875(19) . . ?
P4 Ag1 Ag2 124.697(19) . . ?
S2 Ag1 Ag2 53.046(16) . . ?
S1 Ag1 Ag2 52.445(16) . . ?
P2 Ag2 P1 85.35(2) . . ?
P2 Ag2 S1 120.53(2) . . ?
P1 Ag2 S1 115.92(2) . . ?
P2 Ag2 S2 114.75(2) . . ?
P1 Ag2 S2 112.10(2) . . ?
S1 Ag2 S2 107.07(2) . . ?
P2 Ag2 Ag1 151.939(18) . . ?
P1 Ag2 Ag1 122.279(18) . . ?
S1 Ag2 Ag1 55.010(18) . . ?
S2 Ag2 Ag1 53.568(16) . . ?
C13 P1 C33 101.94(12) . . ?
C13 P1 C27 103.67(13) . . ?
C33 P1 C27 104.88(12) . . ?
C13 P1 Ag2 103.18(9) . . ?
C33 P1 Ag2 121.40(10) . . ?
C27 P1 Ag2 118.92(9) . . ?
C14 P2 C15 104.52(12) . . ?
C14 P2 C21 101.49(12) . . ?
C15 P2 C21 104.15(12) . . ?
C14 P2 Ag2 103.37(9) . . ?
C15 P2 Ag2 124.82(9) . . ?
C21 P2 Ag2 115.52(8) . . ?
C39 P3 C59 104.99(14) . . ?
C39 P3 C53 101.05(13) . . ?
C59 P3 C53 103.79(13) . . ?
C39 P3 Ag1 103.80(10) . . ?
C59 P3 Ag1 120.73(9) . . ?
C53 P3 Ag1 119.79(10) . . ?
C41 P4 C40 103.39(14) . . ?
C41 P4 C47 104.01(13) . . ?
C40 P4 C47 100.02(14) . . ?
C41 P4 Ag1 124.25(10) . . ?
C40 P4 Ag1 103.09(9) . . ?
C47 P4 Ag1 118.29(10) . . ?
C1 S1 Ag2 107.43(10) . . ?
C1 S1 Ag1 104.05(10) . . ?
Ag2 S1 Ag1 72.55(2) . . ?
C7 S2 Ag2 109.54(10) . . ?
C7 S2 Ag1 112.27(9) . . ?
Ag2 S2 Ag1 73.386(19) . . ?

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 -3.1(5) . . . . ?
S1 C1 C2 C3 175.0(3) . . . . ?
C1 C2 C3 F1 -178.0(3) . . . . ?
C1 C2 C3 C4 1.3(6) . . . . ?
F1 C3 C4 C5 -179.6(3) . . . . ?
C2 C3 C4 C5 1.1(6) . . . . ?
F1 C3 C4 F2 1.3(6) . . . . ?
C2 C3 C4 F2 -178.0(3) . . . . ?
C3 C4 C5 C6 -1.5(5) . . . . ?
F2 C4 C5 C6 177.5(3) . . . . ?
C2 C1 C6 C5 2.7(4) . . . . ?
S1 C1 C6 C5 -175.4(2) . . . . ?
C4 C5 C6 C1 -0.4(5) . . . . ?
C12 C7 C8 C9 0.3(5) . . . . ?
S2 C7 C8 C9 178.2(3) . . . . ?
C7 C8 C9 F3 179.5(3) . . . . ?
C7 C8 C9 C10 0.5(6) . . . . ?
F3 C9 C10 C11 -179.8(4) . . . . ?
C8 C9 C10 C11 -0.8(6) . . . . ?
F3 C9 C10 F4 0.3(6) . . . . ?
C8 C9 C10 F4 179.3(4) . . . . ?
F4 C10 C11 C12 -179.8(4) . . . . ?
C9 C10 C11 C12 0.3(6) . . . . ?
C8 C7 C12 C11 -0.8(5) . . . . ?
S2 C7 C12 C11 -178.6(3) . . . . ?
C10 C11 C12 C7 0.5(6) . . . . ?
P1 C13 C14 P2 0.3(4) . . . . ?
C20 C15 C16 C17 -0.9(5) . . . . ?
P2 C15 C16 C17 180.0(3) . . . . ?
C15 C16 C17 C18 1.5(5) . . . . ?
C16 C17 C18 C19 -0.5(6) . . . . ?
C17 C18 C19 C20 -0.9(6) . . . . ?
C16 C15 C20 C19 -0.5(5) . . . . ?
P2 C15 C20 C19 178.5(3) . . . . ?
C18 C19 C20 C15 1.5(6) . . . . ?
C26 C21 C22 C23 -0.1(4) . . . . ?
P2 C21 C22 C23 173.7(3) . . . . ?
C21 C22 C23 C24 0.8(5) . . . . ?
C22 C23 C24 C25 -0.6(6) . . . . ?
C23 C24 C25 C26 -0.3(6) . . . . ?
C24 C25 C26 C21 1.0(5) . . . . ?
C22 C21 C26 C25 -0.8(4) . . . . ?
P2 C21 C26 C25 -174.9(2) . . . . ?
C32 C27 C28 C29 -1.1(5) . . . . ?
P1 C27 C28 C29 -179.7(3) . . . . ?
C27 C28 C29 C30 0.3(6) . . . . ?
C28 C29 C30 C31 1.0(7) . . . . ?
C29 C30 C31 C32 -1.5(7) . . . . ?
C30 C31 C32 C27 0.6(7) . . . . ?
C28 C27 C32 C31 0.7(5) . . . . ?
P1 C27 C32 C31 179.4(3) . . . . ?
C38 C33 C34 C35 -0.8(6) . . . . ?
P1 C33 C34 C35 -179.9(3) . . . . ?
C33 C34 C35 C36 0.3(7) . . . . ?
C34 C35 C36 C37 0.7(7) . . . . ?
C35 C36 C37 C38 -1.0(8) . . . . ?
C34 C33 C38 C37 0.5(6) . . . . ?
P1 C33 C38 C37 179.5(4) . . . . ?
C36 C37 C38 C33 0.4(8) . . . . ?
P3 C39 C40 P4 2.0(4) . . . . ?
C46 C41 C42 C43 -1.0(5) . . . . ?
P4 C41 C42 C43 179.9(3) . . . . ?
C41 C42 C43 C44 0.1(6) . . . . ?
C42 C43 C44 C45 0.5(7) . . . . ?
C43 C44 C45 C46 -0.2(7) . . . . ?
C42 C41 C46 C45 1.3(6) . . . . ?
P4 C41 C46 C45 -179.6(3) . . . . ?
C44 C45 C46 C41 -0.7(7) . . . . ?
C52 C47 C48 C49 0.6(5) . . . . ?
P4 C47 C48 C49 -178.8(3) . . . . ?
C47 C48 C49 C50 0.3(6) . . . . ?
C48 C49 C50 C51 -1.2(6) . . . . ?
C49 C50 C51 C52 1.2(7) . . . . ?
C48 C47 C52 C51 -0.6(6) . . . . ?
P4 C47 C52 C51 178.7(3) . . . . ?
C50 C51 C52 C47 -0.3(7) . . . . ?
C58 C53 C54 C55 -0.7(5) . . . . ?
P3 C53 C54 C55 176.3(3) . . . . ?
C53 C54 C55 C56 -0.5(6) . . . . ?
C54 C55 C56 C57 1.4(7) . . . . ?
C55 C56 C57 C58 -1.0(6) . . . . ?
C54 C53 C58 C57 1.1(5) . . . . ?
P3 C53 C58 C57 -176.1(2) . . . . ?
C56 C57 C58 C53 -0.3(5) . . . . ?
C64 C59 C60 C61 -1.7(5) . . . . ?
P3 C59 C60 C61 178.7(3) . . . . ?
C59 C60 C61 C62 1.5(6) . . . . ?
C60 C61 C62 C63 -0.5(6) . . . . ?
C61 C62 C63 C64 -0.4(6) . . . . ?
C62 C63 C64 C59 0.2(5) . . . . ?
C60 C59 C64 C63 0.9(5) . . . . ?
P3 C59 C64 C63 -179.6(3) . . . . ?
C14 C13 P1 C33 -124.6(3) . . . . ?
C14 C13 P1 C27 126.6(2) . . . . ?
C14 C13 P1 Ag2 2.0(3) . . . . ?
C34 C33 P1 C13 126.1(3) . . . . ?
C38 C33 P1 C13 -52.9(3) . . . . ?
C34 C33 P1 C27 -126.1(3) . . . . ?
C38 C33 P1 C27 55.0(3) . . . . ?
C34 C33 P1 Ag2 12.4(3) . . . . ?
C38 C33 P1 Ag2 -166.6(3) . . . . ?
C28 C27 P1 C13 27.1(3) . . . . ?
C32 C27 P1 C13 -151.5(2) . . . . ?
C28 C27 P1 C33 -79.5(3) . . . . ?
C32 C27 P1 C33 101.9(3) . . . . ?
C28 C27 P1 Ag2 140.8(2) . . . . ?
C32 C27 P1 Ag2 -37.8(3) . . . . ?
C13 C14 P2 C15 -134.4(2) . . . . ?
C13 C14 P2 C21 117.5(3) . . . . ?
C13 C14 P2 Ag2 -2.5(3) . . . . ?
C16 C15 P2 C14 150.3(2) . . . . ?
C20 C15 P2 C14 -28.7(3) . . . . ?
C16 C15 P2 C21 -103.5(2) . . . . ?
C20 C15 P2 C21 77.4(3) . . . . ?
C16 C15 P2 Ag2 32.2(3) . . . . ?
C20 C15 P2 Ag2 -146.8(2) . . . . ?
C22 C21 P2 C14 121.3(2) . . . . ?
C26 C21 P2 C14 -64.9(2) . . . . ?
C22 C21 P2 C15 12.9(3) . . . . ?
C26 C21 P2 C15 -173.3(2) . . . . ?
C22 C21 P2 Ag2 -127.7(2) . . . . ?
C26 C21 P2 Ag2 46.1(2) . . . . ?
C40 C39 P3 C59 -126.1(3) . . . . ?
C40 C39 P3 C53 126.2(3) . . . . ?
C40 C39 P3 Ag1 1.5(3) . . . . ?
C64 C59 P3 C39 -21.1(3) . . . . ?
C60 C59 P3 C39 158.4(2) . . . . ?
C64 C59 P3 C53 84.6(3) . . . . ?
C60 C59 P3 C53 -95.9(3) . . . . ?
C64 C59 P3 Ag1 -137.6(2) . . . . ?
C60 C59 P3 Ag1 41.9(3) . . . . ?
C58 C53 P3 C39 -87.8(2) . . . . ?
C54 C53 P3 C39 95.1(3) . . . . ?
C58 C53 P3 C59 163.6(2) . . . . ?
C54 C53 P3 C59 -13.5(3) . . . . ?
C58 C53 P3 Ag1 25.3(3) . . . . ?
C54 C53 P3 Ag1 -151.8(2) . . . . ?
C42 C41 P4 C40 1.4(3) . . . . ?
C46 C41 P4 C40 -177.7(3) . . . . ?
C42 C41 P4 C47 -102.7(3) . . . . ?
C46 C41 P4 C47 78.2(3) . . . . ?
C42 C41 P4 Ag1 117.8(3) . . . . ?
C46 C41 P4 Ag1 -61.3(3) . . . . ?
C39 C40 P4 C41 126.3(3) . . . . ?
C39 C40 P4 C47 -126.6(3) . . . . ?
C39 C40 P4 Ag1 -4.2(3) . . . . ?
C48 C47 P4 C41 -174.8(3) . . . . ?
C52 C47 P4 C41 5.9(3) . . . . ?
C48 C47 P4 C40 78.6(3) . . . . ?
C52 C47 P4 C40 -100.7(3) . . . . ?
C48 C47 P4 Ag1 -32.3(3) . . . . ?
C52 C47 P4 Ag1 148.4(3) . . . . ?
C6 C1 S1 Ag2 -55.2(3) . . . . ?
C2 C1 S1 Ag2 126.8(2) . . . . ?
C6 C1 S1 Ag1 20.6(3) . . . . ?
C2 C1 S1 Ag1 -157.4(2) . . . . ?
C12 C7 S2 Ag2 9.1(3) . . . . ?
C8 C7 S2 Ag2 -168.7(2) . . . . ?
C12 C7 S2 Ag1 -70.4(3) . . . . ?
C8 C7 S2 Ag1 111.8(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C34 H34 S2 0.93 2.86 3.761(3) 163.4 .

####################################################################### 
# 
# 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_2B
_database_code_depnum_ccdc_archive 'CCDC 1454822'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-06-21 downloaded from the CCDC.
;

_audit_creation_date             2015-06-02T17:56:14-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C64 H50 Ag2 F4 P4 S2'
_chemical_formula_sum            'C64 H50 Ag2 F4 P4 S2'
_chemical_formula_weight         1298.78

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8531(7)
_cell_length_b                   11.9647(7)
_cell_length_c                   12.1327(7)
_cell_angle_alpha                64.180(5)
_cell_angle_beta                 65.204(6)
_cell_angle_gamma                81.877(5)
_cell_volume                     1404.27(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    18457
_cell_measurement_theta_min      3.5104
_cell_measurement_theta_max      29.4882

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.41
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_F_000             656
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 14 13 0.2277
1 -14 -13 0.2277
14 -2 -2 0.205
-14 2 2 0.205
14 11 10 0.2246
-14 -11 -10 0.2246
2 12 -5 0.2415
-2 -12 5 0.2415
-10 3 -13 0.2871
10 -3 13 0.2871

_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.94
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_T_max  0.73
_shelx_estimated_absorpt_T_min   0.612
_shelx_estimated_absorpt_T_max   0.699

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4685
_diffrn_orient_matrix_ub_11      0.0111834
_diffrn_orient_matrix_ub_12      -0.0573247
_diffrn_orient_matrix_ub_13      0.0460936
_diffrn_orient_matrix_ub_21      0.0453196
_diffrn_orient_matrix_ub_22      -0.0121371
_diffrn_orient_matrix_ub_23      -0.0538816
_diffrn_orient_matrix_ub_31      0.0466633
_diffrn_orient_matrix_ub_32      0.030248
_diffrn_orient_matrix_ub_33      0.0010041
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_number            37061
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.51
_diffrn_reflns_theta_max         29.488
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.919
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.919
_reflns_Friedel_coverage         0
_reflns_number_total             7186
_reflns_number_gt                6626
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    
;
      'SHELXS-2014 (Sheldrick, 2008)'
      G. M. Sheldrick, Acta Crystallogr., Sect. A: 
      Found. Crystallogr., 2008, 64, 112-122.
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
          'Ortep-3 for Windows (Farrugia, 1997)'
      L. J. Farrugia, J. Appl. Crystallogr., 1997, 30, 565.
;
_computing_publication_material  
;	
        'WinGX publication routines (Farrugia, 1999)'				 
	L. J. Farrugia, J. Appl. Crystallogr., 1999, 32, 837-838.
;

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0260P)²+0.6678P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7186
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0226
_refine_ls_wR_factor_ref         0.0587
_refine_ls_wR_factor_gt          0.0566
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.068

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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'
Ag Ag -0.8971 1.1015 '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'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.86743(14) 0.24475(14) 0.66631(15) 0.0219(3) Uani 1 1 d . . . . .
C2 C 0.93299(16) 0.23855(15) 0.74131(18) 0.0283(3) Uani 1 1 d . . . . .
H2 H 0.979 0.3096 0.7194 0.034 Uiso 1 1 calc R U . . .
C3 C 0.92995(19) 0.12861(17) 0.8469(2) 0.0364(4) Uani 1 1 d . . . . .
C4 C 0.86680(19) 0.02122(18) 0.8848(2) 0.0398(4) Uani 1 1 d . . . . .
H4 H 0.8672 -0.054 0.9577 0.048 Uiso 1 1 calc R U . . .
C5 C 0.80308(17) 0.03089(17) 0.8094(2) 0.0367(4) Uani 1 1 d . . . . .
C6 C 0.80011(15) 0.13788(16) 0.70298(18) 0.0285(3) Uani 1 1 d . . . . .
H6 H 0.7533 0.1393 0.6552 0.034 Uiso 1 1 calc R U . . .
C7 C 0.62247(15) 0.68211(16) 0.71824(17) 0.0276(3) Uani 1 1 d . . . . .
H7 H 0.5482 0.7261 0.7291 0.033 Uiso 1 1 calc R U . . .
C8 C 0.63545(15) 0.59832(16) 0.82729(17) 0.0278(3) Uani 1 1 d . . . . .
H8 H 0.5699 0.5875 0.9109 0.033 Uiso 1 1 calc R U . . .
C9 C 0.81334(16) 0.54758(15) 0.93208(17) 0.0273(3) Uani 1 1 d . . . . .
C10 C 0.73827(19) 0.52157(19) 1.06563(19) 0.0390(4) Uani 1 1 d . . . . .
H10 H 0.6627 0.473 1.1094 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7738(2) 0.5665(2) 1.1347(2) 0.0494(5) Uani 1 1 d . . . . .
H11 H 0.7232 0.5475 1.2261 0.059 Uiso 1 1 calc R U . . .
C12 C 0.8826(2) 0.6389(2) 1.0710(3) 0.0504(6) Uani 1 1 d . . . . .
H12 H 0.9066 0.6695 1.1188 0.06 Uiso 1 1 calc R U . . .
C13 C 0.9559(2) 0.66681(19) 0.9395(2) 0.0470(5) Uani 1 1 d . . . . .
H13 H 1.0297 0.7181 0.8957 0.056 Uiso 1 1 calc R U . . .
C14 C 0.92286(18) 0.62043(17) 0.86947(19) 0.0344(4) Uani 1 1 d . . . . .
H14 H 0.9752 0.6385 0.7787 0.041 Uiso 1 1 calc R U . . .
C15 C 0.68813(15) 0.34960(15) 0.94287(16) 0.0255(3) Uani 1 1 d . . . . .
C16 C 0.59555(17) 0.31648(18) 0.91860(18) 0.0333(4) Uani 1 1 d . . . . .
H16 H 0.5751 0.3739 0.8465 0.04 Uiso 1 1 calc R U . . .
C17 C 0.5330(2) 0.2011(2) 0.9981(2) 0.0448(5) Uani 1 1 d . . . . .
H17 H 0.4694 0.1801 0.9811 0.054 Uiso 1 1 calc R U . . .
C18 C 0.5628(2) 0.11700(19) 1.1014(2) 0.0486(5) Uani 1 1 d . . . . .
H18 H 0.5191 0.0383 1.1568 0.058 Uiso 1 1 calc R U . . .
C19 C 0.6561(2) 0.14675(19) 1.1247(2) 0.0472(5) Uani 1 1 d . . . . .
H19 H 0.6778 0.0875 1.195 0.057 Uiso 1 1 calc R U . . .
C20 C 0.71905(19) 0.26314(17) 1.04607(19) 0.0369(4) Uani 1 1 d . . . . .
H20 H 0.783 0.2831 1.0632 0.044 Uiso 1 1 calc R U . . .
C21 C 0.63942(15) 0.71617(15) 0.46705(18) 0.0256(3) Uani 1 1 d . . . . .
C22 C 0.52763(17) 0.64596(17) 0.5371(2) 0.0332(4) Uani 1 1 d . . . . .
H22 H 0.5005 0.5967 0.6305 0.04 Uiso 1 1 calc R U . . .
C23 C 0.45506(19) 0.64737(19) 0.4710(2) 0.0409(5) Uani 1 1 d . . . . .
H23 H 0.3782 0.6 0.5198 0.049 Uiso 1 1 calc R U . . .
C24 C 0.4945(2) 0.71695(19) 0.3357(2) 0.0414(5) Uani 1 1 d . . . . .
H24 H 0.4444 0.7187 0.2911 0.05 Uiso 1 1 calc R U . . .
C25 C 0.6068(2) 0.7844(2) 0.2646(2) 0.0439(5) Uani 1 1 d . . . . .
H25 H 0.6346 0.8311 0.1706 0.053 Uiso 1 1 calc R U . . .
C26 C 0.67958(19) 0.78443(18) 0.3294(2) 0.0364(4) Uani 1 1 d . . . . .
H26 H 0.7568 0.8311 0.2797 0.044 Uiso 1 1 calc R U . . .
C27 C 0.76250(15) 0.88583(14) 0.49056(16) 0.0233(3) Uani 1 1 d . . . . .
C28 C 0.88012(16) 0.93480(17) 0.4461(2) 0.0334(4) Uani 1 1 d . . . . .
H28 H 0.9478 0.8816 0.445 0.04 Uiso 1 1 calc R U . . .
C29 C 0.90031(19) 1.06164(19) 0.4027(2) 0.0433(5) Uani 1 1 d . . . . .
H29 H 0.9817 1.0946 0.3718 0.052 Uiso 1 1 calc R U . . .
C30 C 0.8029(2) 1.13952(17) 0.4044(2) 0.0384(4) Uani 1 1 d . . . . .
H30 H 0.8172 1.2262 0.3733 0.046 Uiso 1 1 calc R U . . .
C31 C 0.6847(2) 1.09098(18) 0.4514(3) 0.0458(5) Uani 1 1 d . . . . .
H31 H 0.6169 1.1442 0.4548 0.055 Uiso 1 1 calc R U . . .
C32 C 0.66404(18) 0.96491(17) 0.4938(2) 0.0421(5) Uani 1 1 d . . . . .
H32 H 0.5824 0.9323 0.5253 0.051 Uiso 1 1 calc R U . . .
Ag1 Ag 0.89584(2) 0.55841(2) 0.58804(2) 0.02289(4) Uani 1 1 d . . . . .
F1 F 0.99348(15) 0.12703(12) 0.91859(15) 0.0605(4) Uani 1 1 d . . . . .
F2 F 0.73957(13) -0.07276(11) 0.84137(16) 0.0623(4) Uani 1 1 d . . . . .
P1 P 0.73727(4) 0.71852(4) 0.54921(4) 0.02129(8) Uani 1 1 d . . . . .
P2 P 0.76854(4) 0.50187(4) 0.83052(4) 0.02213(8) Uani 1 1 d . . . . .
S1 S 0.87082(3) 0.38114(3) 0.52601(4) 0.02157(8) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.398(2) . ?
C1 C6 1.402(2) . ?
C1 S1 1.7617(16) . ?
C2 C3 1.371(2) . ?
C2 H2 0.95 . ?
C3 F1 1.362(2) . ?
C3 C4 1.375(3) . ?
C4 C5 1.372(3) . ?
C4 H4 0.95 . ?
C5 F2 1.362(2) . ?
C5 C6 1.376(3) . ?
C6 H6 0.95 . ?
C7 C8 1.323(2) . ?
C7 P1 1.8155(17) . ?
C7 H7 0.95 . ?
C8 P2 1.8220(17) . ?
C8 H8 0.95 . ?
C9 C14 1.392(2) . ?
C9 C10 1.394(3) . ?
C9 P2 1.8213(17) . ?
C10 C11 1.386(3) . ?
C10 H10 0.95 . ?
C11 C12 1.381(3) . ?
C11 H11 0.95 . ?
C12 C13 1.367(3) . ?
C12 H12 0.95 . ?
C13 C14 1.390(3) . ?
C13 H13 0.95 . ?
C14 H14 0.95 . ?
C15 C20 1.386(3) . ?
C15 C16 1.394(2) . ?
C15 P2 1.8230(16) . ?
C16 C17 1.384(3) . ?
C16 H16 0.95 . ?
C17 C18 1.372(3) . ?
C17 H17 0.95 . ?
C18 C19 1.374(3) . ?
C18 H18 0.95 . ?
C19 C20 1.395(3) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 C22 1.390(2) . ?
C21 C26 1.392(3) . ?
C21 P1 1.8284(16) . ?
C22 C23 1.395(3) . ?
C22 H22 0.95 . ?
C23 C24 1.372(3) . ?
C23 H23 0.95 . ?
C24 C25 1.379(3) . ?
C24 H24 0.95 . ?
C25 C26 1.390(3) . ?
C25 H25 0.95 . ?
C26 H26 0.95 . ?
C27 C28 1.379(2) . ?
C27 C32 1.393(2) . ?
C27 P1 1.8311(16) . ?
C28 C29 1.392(3) . ?
C28 H28 0.95 . ?
C29 C30 1.376(3) . ?
C29 H29 0.95 . ?
C30 C31 1.378(3) . ?
C30 H30 0.95 . ?
C31 C32 1.387(3) . ?
C31 H31 0.95 . ?
C32 H32 0.95 . ?
Ag1 P2 2.4942(5) . ?
Ag1 P1 2.5226(4) . ?
Ag1 S1 2.5635(4) 2_766 ?
Ag1 S1 2.6283(4) . ?
Ag1 Ag1 3.1330(3) 2_766 ?
S1 Ag1 2.5634(4) 2_766 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 118.43(15) . . ?
C2 C1 S1 121.78(12) . . ?
C6 C1 S1 119.77(12) . . ?
C3 C2 C1 119.08(16) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
F1 C3 C2 117.23(17) . . ?
F1 C3 C4 118.44(16) . . ?
C2 C3 C4 124.33(18) . . ?
C5 C4 C3 114.98(17) . . ?
C5 C4 H4 122.5 . . ?
C3 C4 H4 122.5 . . ?
F2 C5 C4 117.73(17) . . ?
F2 C5 C6 117.90(18) . . ?
C4 C5 C6 124.37(17) . . ?
C5 C6 C1 118.79(16) . . ?
C5 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
C8 C7 P1 124.33(13) . . ?
C8 C7 H7 117.8 . . ?
P1 C7 H7 117.8 . . ?
C7 C8 P2 125.46(13) . . ?
C7 C8 H8 117.3 . . ?
P2 C8 H8 117.3 . . ?
C14 C9 C10 118.97(16) . . ?
C14 C9 P2 117.85(13) . . ?
C10 C9 P2 122.97(13) . . ?
C11 C10 C9 120.08(19) . . ?
C11 C10 H10 120 . . ?
C9 C10 H10 120 . . ?
C12 C11 C10 120.2(2) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 120.22(19) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 120.31(19) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C9 120.18(19) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
C20 C15 C16 118.63(16) . . ?
C20 C15 P2 123.32(13) . . ?
C16 C15 P2 117.95(13) . . ?
C17 C16 C15 120.90(19) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C18 C17 C16 120.0(2) . . ?
C18 C17 H17 120 . . ?
C16 C17 H17 120 . . ?
C17 C18 C19 119.95(18) . . ?
C17 C18 H18 120 . . ?
C19 C18 H18 120 . . ?
C18 C19 C20 120.6(2) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C15 C20 C19 119.90(19) . . ?
C15 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C26 118.88(16) . . ?
C22 C21 P1 122.13(14) . . ?
C26 C21 P1 118.97(13) . . ?
C21 C22 C23 120.45(19) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 120.12(19) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 119.95(18) . . ?
C23 C24 H24 120 . . ?
C25 C24 H24 120 . . ?
C24 C25 C26 120.5(2) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 120.09(19) . . ?
C25 C26 H26 120 . . ?
C21 C26 H26 120 . . ?
C28 C27 C32 118.91(15) . . ?
C28 C27 P1 119.86(12) . . ?
C32 C27 P1 121.20(13) . . ?
C27 C28 C29 120.44(17) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 120.34(18) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.60(17) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C30 C31 C32 120.37(18) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C27 120.32(17) . . ?
C31 C32 H32 119.8 . . ?
C27 C32 H32 119.8 . . ?
P2 Ag1 P1 85.460(15) . . ?
P2 Ag1 S1 123.503(14) . 2_766 ?
P1 Ag1 S1 121.336(14) . 2_766 ?
P2 Ag1 S1 109.954(14) . . ?
P1 Ag1 S1 109.463(14) . . ?
S1 Ag1 S1 105.778(12) 2_766 . ?
P2 Ag1 Ag1 137.557(12) . 2_766 ?
P1 Ag1 Ag1 134.833(12) . 2_766 ?
S1 Ag1 Ag1 53.836(10) 2_766 2_766 ?
S1 Ag1 Ag1 51.942(10) . 2_766 ?
C7 P1 C21 101.15(8) . . ?
C7 P1 C27 99.61(8) . . ?
C21 P1 C27 101.41(7) . . ?
C7 P1 Ag1 102.06(6) . . ?
C21 P1 Ag1 122.50(5) . . ?
C27 P1 Ag1 125.08(5) . . ?
C9 P2 C8 98.74(8) . . ?
C9 P2 C15 105.29(8) . . ?
C8 P2 C15 99.91(8) . . ?
C9 P2 Ag1 123.39(6) . . ?
C8 P2 Ag1 102.16(6) . . ?
C15 P2 Ag1 121.64(5) . . ?
C1 S1 Ag1 99.83(5) . 2_766 ?
C1 S1 Ag1 102.93(5) . . ?
Ag1 S1 Ag1 74.223(12) 2_766 . ?

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 0.5(2) . . . . ?
S1 C1 C2 C3 -177.92(14) . . . . ?
C1 C2 C3 F1 -179.01(17) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
F1 C3 C4 C5 178.73(19) . . . . ?
C2 C3 C4 C5 -0.9(3) . . . . ?
C3 C4 C5 F2 179.42(19) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
F2 C5 C6 C1 -178.41(16) . . . . ?
C4 C5 C6 C1 0.9(3) . . . . ?
C2 C1 C6 C5 -1.2(2) . . . . ?
S1 C1 C6 C5 177.25(14) . . . . ?
P1 C7 C8 P2 -0.8(2) . . . . ?
C14 C9 C10 C11 -0.9(3) . . . . ?
P2 C9 C10 C11 -175.45(17) . . . . ?
C9 C10 C11 C12 1.1(3) . . . . ?
C10 C11 C12 C13 0.0(4) . . . . ?
C11 C12 C13 C14 -1.3(4) . . . . ?
C12 C13 C14 C9 1.5(3) . . . . ?
C10 C9 C14 C13 -0.4(3) . . . . ?
P2 C9 C14 C13 174.46(15) . . . . ?
C20 C15 C16 C17 1.9(3) . . . . ?
P2 C15 C16 C17 178.42(15) . . . . ?
C15 C16 C17 C18 -0.8(3) . . . . ?
C16 C17 C18 C19 -0.9(3) . . . . ?
C17 C18 C19 C20 1.5(3) . . . . ?
C16 C15 C20 C19 -1.3(3) . . . . ?
P2 C15 C20 C19 -177.63(15) . . . . ?
C18 C19 C20 C15 -0.4(3) . . . . ?
C26 C21 C22 C23 -2.1(3) . . . . ?
P1 C21 C22 C23 179.49(14) . . . . ?
C21 C22 C23 C24 0.9(3) . . . . ?
C22 C23 C24 C25 0.8(3) . . . . ?
C23 C24 C25 C26 -1.3(3) . . . . ?
C24 C25 C26 C21 0.0(3) . . . . ?
C22 C21 C26 C25 1.7(3) . . . . ?
P1 C21 C26 C25 -179.89(15) . . . . ?
C32 C27 C28 C29 -1.3(3) . . . . ?
P1 C27 C28 C29 -179.24(16) . . . . ?
C27 C28 C29 C30 0.3(3) . . . . ?
C28 C29 C30 C31 1.1(3) . . . . ?
C29 C30 C31 C32 -1.6(4) . . . . ?
C30 C31 C32 C27 0.6(4) . . . . ?
C28 C27 C32 C31 0.8(3) . . . . ?
P1 C27 C32 C31 178.72(18) . . . . ?
C8 C7 P1 C21 132.74(16) . . . . ?
C8 C7 P1 C27 -123.49(16) . . . . ?
C8 C7 P1 Ag1 5.72(16) . . . . ?
C22 C21 P1 C7 -26.42(15) . . . . ?
C26 C21 P1 C7 155.22(14) . . . . ?
C22 C21 P1 C27 -128.74(14) . . . . ?
C26 C21 P1 C27 52.90(15) . . . . ?
C22 C21 P1 Ag1 85.80(14) . . . . ?
C26 C21 P1 Ag1 -92.57(14) . . . . ?
C28 C27 P1 C7 121.43(15) . . . . ?
C32 C27 P1 C7 -56.50(17) . . . . ?
C28 C27 P1 C21 -135.03(15) . . . . ?
C32 C27 P1 C21 47.04(17) . . . . ?
C28 C27 P1 Ag1 9.22(17) . . . . ?
C32 C27 P1 Ag1 -168.71(14) . . . . ?
C14 C9 P2 C8 -109.23(15) . . . . ?
C10 C9 P2 C8 65.37(17) . . . . ?
C14 C9 P2 C15 147.91(14) . . . . ?
C10 C9 P2 C15 -37.48(18) . . . . ?
C14 C9 P2 Ag1 1.66(17) . . . . ?
C10 C9 P2 Ag1 176.27(14) . . . . ?
C7 C8 P2 C9 122.38(16) . . . . ?
C7 C8 P2 C15 -130.30(16) . . . . ?
C7 C8 P2 Ag1 -4.68(17) . . . . ?
C20 C15 P2 C9 -33.37(17) . . . . ?
C16 C15 P2 C9 150.25(13) . . . . ?
C20 C15 P2 C8 -135.36(16) . . . . ?
C16 C15 P2 C8 48.26(15) . . . . ?
C20 C15 P2 Ag1 113.61(14) . . . . ?
C16 C15 P2 Ag1 -62.77(15) . . . . ?
C2 C1 S1 Ag1 44.39(14) . . . 2_766 ?
C6 C1 S1 Ag1 -133.99(12) . . . 2_766 ?
C2 C1 S1 Ag1 -31.52(14) . . . . ?
C6 C1 S1 Ag1 150.09(12) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C4 H4 F1 0.95 2.5 3.221(2) 132.4 2_757

