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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1568193'
_audit_update_record             
;
2017-10-23 deposited with the CCDC.
2017-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H28 Ag N2 O2 S2, F6 P'
_chemical_formula_sum            'C25 H28 Ag F6 N2 O2 P S2'
_chemical_formula_weight         705.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.9615(2)
_cell_length_b                   11.8938(3)
_cell_length_c                   14.6343(3)
_cell_angle_alpha                100.9770(10)
_cell_angle_beta                 94.8970(10)
_cell_angle_gamma                94.9310(10)
_cell_volume                     1348.02(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9954
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.31
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             712
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5756
_exptl_absorpt_correction_T_max  0.7391
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19690
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.43
_diffrn_reflns_theta_max         27.00
_reflns_number_total             5882
_reflns_number_gt                5491
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0305P)²+0.6932P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5882
_refine_ls_number_parameters     352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0239
_refine_ls_wR_factor_ref         0.0615
_refine_ls_wR_factor_gt          0.0601
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.733608(18) 0.747787(11) 0.784540(9) 0.02452(5) Uani 1 1 d . . .
S2 S 0.41782(6) 0.66135(4) 0.76480(3) 0.02522(10) Uani 1 1 d . . .
S1 S 0.97710(6) 0.81424(4) 0.69382(3) 0.02667(10) Uani 1 1 d . . .
N1 N 0.73650(19) 0.88619(12) 0.92301(10) 0.0202(3) Uani 1 1 d . . .
N2 N 0.7447(2) 0.56838(14) 0.66683(11) 0.0277(3) Uani 1 1 d . . .
H2A H 0.8224 0.5242 0.6903 0.033 Uiso 1 1 calc R . .
O1 O 0.67930(16) 0.97639(11) 0.75483(8) 0.0248(3) Uani 1 1 d . . .
O2 O 0.72735(16) 0.66625(11) 0.95730(9) 0.0240(3) Uani 1 1 d . . .
C1 C 0.5756(2) 0.99454(16) 0.83005(12) 0.0238(4) Uani 1 1 d . . .
H1A H 0.4776 0.9347 0.8183 0.029 Uiso 1 1 calc R . .
H1B H 0.5322 1.0708 0.8354 0.029 Uiso 1 1 calc R . .
C2 C 0.6811(2) 0.98874(15) 0.91899(12) 0.0208(3) Uani 1 1 d . . .
C3 C 0.7092(2) 1.08056(15) 0.99440(12) 0.0243(4) Uani 1 1 d . . .
H3A H 0.6685 1.1523 0.9901 0.029 Uiso 1 1 calc R . .
C4 C 0.7979(2) 1.06581(16) 1.07632(12) 0.0267(4) Uani 1 1 d . . .
H4A H 0.8223 1.1283 1.1283 0.032 Uiso 1 1 calc R . .
C5 C 0.8504(2) 0.95935(16) 1.08158(12) 0.0252(4) Uani 1 1 d . . .
H5A H 0.9083 0.9468 1.1377 0.030 Uiso 1 1 calc R . .
C6 C 0.8169(2) 0.87107(15) 1.00346(12) 0.0210(3) Uani 1 1 d . . .
C7 C 0.8632(2) 0.75044(16) 1.00301(13) 0.0252(4) Uani 1 1 d . . .
H7A H 0.9659 0.7386 0.9703 0.030 Uiso 1 1 calc R . .
H7B H 0.8893 0.7406 1.0682 0.030 Uiso 1 1 calc R . .
C8 C 0.5782(2) 0.66367(14) 0.99864(13) 0.0227(4) Uani 1 1 d . . .
C9 C 0.5683(3) 0.70660(16) 1.09299(13) 0.0269(4) Uani 1 1 d . . .
H9A H 0.6662 0.7444 1.1321 0.032 Uiso 1 1 calc R . .
C10 C 0.4146(3) 0.69398(17) 1.12970(14) 0.0314(4) Uani 1 1 d . . .
H10A H 0.4080 0.7229 1.1943 0.038 Uiso 1 1 calc R . .
C11 C 0.2710(3) 0.63996(17) 1.07379(15) 0.0321(4) Uani 1 1 d . . .
H11A H 0.1660 0.6318 1.0995 0.038 Uiso 1 1 calc R . .
C12 C 0.2817(3) 0.59768(17) 0.97943(15) 0.0297(4) Uani 1 1 d . . .
H12A H 0.1830 0.5604 0.9408 0.036 Uiso 1 1 calc R . .
C13 C 0.4340(2) 0.60883(15) 0.94042(13) 0.0238(4) Uani 1 1 d . . .
C14 C 0.4446(3) 0.55630(15) 0.83974(13) 0.0259(4) Uani 1 1 d . . .
H14A H 0.3556 0.4907 0.8194 0.031 Uiso 1 1 calc R . .
H14B H 0.5562 0.5264 0.8331 0.031 Uiso 1 1 calc R . .
C15 C 0.4285(3) 0.57130(18) 0.65067(13) 0.0314(4) Uani 1 1 d . . .
H15A H 0.3228 0.5183 0.6340 0.038 Uiso 1 1 calc R . .
H15B H 0.4328 0.6212 0.6038 0.038 Uiso 1 1 calc R . .
C16 C 0.5788(3) 0.50011(17) 0.64368(14) 0.0326(4) Uani 1 1 d . . .
H16A H 0.5690 0.4450 0.6863 0.039 Uiso 1 1 calc R . .
H16B H 0.5730 0.4548 0.5791 0.039 Uiso 1 1 calc R . .
C17 C 0.8073(3) 0.60719(18) 0.58536(13) 0.0306(4) Uani 1 1 d . . .
H17A H 0.7230 0.6521 0.5591 0.037 Uiso 1 1 calc R . .
H17B H 0.8199 0.5392 0.5366 0.037 Uiso 1 1 calc R . .
C18 C 0.9760(3) 0.68071(18) 0.61017(14) 0.0324(4) Uani 1 1 d . . .
H18A H 1.0154 0.6992 0.5519 0.039 Uiso 1 1 calc R . .
H18B H 1.0593 0.6343 0.6354 0.039 Uiso 1 1 calc R . .
C19 C 0.8952(2) 0.91267(18) 0.62357(13) 0.0289(4) Uani 1 1 d . . .
H19A H 0.9286 0.9925 0.6583 0.035 Uiso 1 1 calc R . .
H19B H 0.9510 0.9031 0.5650 0.035 Uiso 1 1 calc R . .
C20 C 0.7075(2) 0.89837(16) 0.59818(12) 0.0247(4) Uani 1 1 d . . .
C21 C 0.6360(3) 0.85257(18) 0.50739(13) 0.0318(4) Uani 1 1 d . . .
H21A H 0.7080 0.8294 0.4602 0.038 Uiso 1 1 calc R . .
C22 C 0.4628(3) 0.83998(19) 0.48413(14) 0.0358(5) Uani 1 1 d . . .
H22A H 0.4161 0.8072 0.4219 0.043 Uiso 1 1 calc R . .
C23 C 0.3584(3) 0.87533(19) 0.55182(15) 0.0352(5) Uani 1 1 d . . .
H23A H 0.2392 0.8674 0.5359 0.042 Uiso 1 1 calc R . .
C24 C 0.4251(3) 0.92250(18) 0.64323(13) 0.0295(4) Uani 1 1 d . . .
H24A H 0.3523 0.9473 0.6895 0.035 Uiso 1 1 calc R . .
C25 C 0.5989(2) 0.93315(15) 0.66633(12) 0.0229(4) Uani 1 1 d . . .
P1 P 0.97239(7) 0.69848(4) 0.30578(3) 0.02831(11) Uani 1 1 d . . .
F1 F 1.00295(18) 0.79864(12) 0.39622(9) 0.0460(3) Uani 1 1 d . . .
F2 F 0.77247(17) 0.69818(14) 0.30667(10) 0.0537(4) Uani 1 1 d . . .
F3 F 0.9417(2) 0.59879(14) 0.21450(11) 0.0637(5) Uani 1 1 d . . .
F4 F 1.17092(17) 0.69343(14) 0.30447(11) 0.0535(4) Uani 1 1 d . . .
F5 F 0.9767(3) 0.79077(15) 0.24100(11) 0.0662(5) Uani 1 1 d . . .
F6 F 0.9681(2) 0.60440(14) 0.37014(12) 0.0633(4) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.3520(14) . ?
Ag1 N2 2.4874(16) . ?
Ag1 S1 2.5925(5) . ?
Ag1 S2 2.6038(5) . ?
Ag1 O2 2.8777(13) . ?
Ag1 O1 2.8964(13) . ?
S2 C15 1.817(2) . ?
S2 C14 1.8268(19) . ?
S1 C18 1.810(2) . ?
S1 C19 1.824(2) . ?
N1 C6 1.342(2) . ?
N1 C2 1.342(2) . ?
N2 C16 1.468(3) . ?
N2 C17 1.468(2) . ?
O1 C25 1.378(2) . ?
O1 C1 1.426(2) . ?
O2 C8 1.379(2) . ?
O2 C7 1.434(2) . ?
C1 C2 1.504(2) . ?
C2 C3 1.385(2) . ?
C3 C4 1.387(3) . ?
C4 C5 1.381(3) . ?
C5 C6 1.387(2) . ?
C6 C7 1.511(3) . ?
C8 C9 1.389(3) . ?
C8 C13 1.401(3) . ?
C9 C10 1.385(3) . ?
C10 C11 1.380(3) . ?
C11 C12 1.389(3) . ?
C12 C13 1.390(3) . ?
C13 C14 1.500(3) . ?
C15 C16 1.524(3) . ?
C17 C18 1.514(3) . ?
C19 C20 1.496(3) . ?
C20 C21 1.388(3) . ?
C20 C25 1.402(3) . ?
C21 C22 1.381(3) . ?
C22 C23 1.375(3) . ?
C23 C24 1.389(3) . ?
C24 C25 1.385(3) . ?
P1 F5 1.5812(15) . ?
P1 F4 1.5885(15) . ?
P1 F1 1.5889(13) . ?
P1 F2 1.5925(15) . ?
P1 F6 1.5939(15) . ?
P1 F3 1.5942(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 165.28(5) . . ?
N1 Ag1 S1 107.58(4) . . ?
N2 Ag1 S1 79.85(4) . . ?
N1 Ag1 S2 99.92(4) . . ?
N2 Ag1 S2 79.38(4) . . ?
S1 Ag1 S2 143.328(15) . . ?
N1 Ag1 O2 62.55(4) . . ?
N2 Ag1 O2 102.99(5) . . ?
S1 Ag1 O2 133.17(3) . . ?
S2 Ag1 O2 81.09(3) . . ?
N1 Ag1 O1 65.70(4) . . ?
N2 Ag1 O1 129.02(4) . . ?
S1 Ag1 O1 72.64(3) . . ?
S2 Ag1 O1 98.18(3) . . ?
O2 Ag1 O1 127.18(3) . . ?
C15 S2 C14 100.37(9) . . ?
C15 S2 Ag1 94.90(7) . . ?
C14 S2 Ag1 96.84(7) . . ?
C18 S1 C19 103.85(10) . . ?
C18 S1 Ag1 97.37(7) . . ?
C19 S1 Ag1 107.51(6) . . ?
C6 N1 C2 118.99(15) . . ?
C6 N1 Ag1 120.51(12) . . ?
C2 N1 Ag1 119.68(11) . . ?
C16 N2 C17 112.28(16) . . ?
C16 N2 Ag1 112.01(11) . . ?
C17 N2 Ag1 105.08(11) . . ?
C25 O1 C1 117.33(14) . . ?
C25 O1 Ag1 91.84(10) . . ?
C1 O1 Ag1 91.72(9) . . ?
C8 O2 C7 117.24(14) . . ?
C8 O2 Ag1 118.70(10) . . ?
C7 O2 Ag1 92.39(9) . . ?
O1 C1 C2 108.44(15) . . ?
N1 C2 C3 122.00(16) . . ?
N1 C2 C1 115.58(15) . . ?
C3 C2 C1 122.26(16) . . ?
C2 C3 C4 118.79(17) . . ?
C5 C4 C3 119.28(16) . . ?
C4 C5 C6 118.75(17) . . ?
N1 C6 C5 122.11(17) . . ?
N1 C6 C7 114.97(15) . . ?
C5 C6 C7 122.90(16) . . ?
O2 C7 C6 111.02(15) . . ?
O2 C8 C9 123.57(17) . . ?
O2 C8 C13 115.83(16) . . ?
C9 C8 C13 120.52(17) . . ?
C10 C9 C8 119.57(19) . . ?
C11 C10 C9 120.94(19) . . ?
C10 C11 C12 119.17(19) . . ?
C11 C12 C13 121.32(19) . . ?
C12 C13 C8 118.47(17) . . ?
C12 C13 C14 120.28(17) . . ?
C8 C13 C14 121.13(17) . . ?
C13 C14 S2 111.36(12) . . ?
C16 C15 S2 115.16(14) . . ?
N2 C16 C15 114.26(16) . . ?
N2 C17 C18 112.12(16) . . ?
C17 C18 S1 116.13(14) . . ?
C20 C19 S1 115.99(13) . . ?
C21 C20 C25 118.20(18) . . ?
C21 C20 C19 121.64(17) . . ?
C25 C20 C19 120.16(17) . . ?
C22 C21 C20 121.47(19) . . ?
C23 C22 C21 119.46(19) . . ?
C22 C23 C24 120.8(2) . . ?
C25 C24 C23 119.42(19) . . ?
O1 C25 C24 124.64(17) . . ?
O1 C25 C20 114.69(16) . . ?
C24 C25 C20 120.67(17) . . ?
F5 P1 F4 90.48(10) . . ?
F5 P1 F1 90.25(9) . . ?
F4 P1 F1 90.72(8) . . ?
F5 P1 F2 91.21(10) . . ?
F4 P1 F2 177.75(9) . . ?
F1 P1 F2 90.77(8) . . ?
F5 P1 F6 179.39(10) . . ?
F4 P1 F6 89.39(9) . . ?
F1 P1 F6 90.34(9) . . ?
F2 P1 F6 88.91(9) . . ?
F5 P1 F3 89.26(10) . . ?
F4 P1 F3 89.30(8) . . ?
F1 P1 F3 179.52(10) . . ?
F2 P1 F3 89.23(8) . . ?
F6 P1 F3 90.14(10) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.473
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.088


_shelx_F_squared_multiplier      1.000
####################################################################### 
# 
# 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 1568195'
_audit_update_record             
;
2017-10-23 deposited with the CCDC.
2017-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '5 H28 Ag2 F6 N2 O2 P S2, F6 P'
_chemical_formula_sum            'C25 H28 Ag2 F12 N2 O2 P2 S2'
_chemical_formula_weight         958.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   19.6427(5)
_cell_length_b                   10.2297(3)
_cell_length_c                   16.2000(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4080(10)
_cell_angle_gamma                90.00
_cell_volume                     3088.65(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9191
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      28.26

_exptl_crystal_description       Plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.061
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1888
_exptl_absorpt_coefficient_mu    1.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6438
_exptl_absorpt_correction_T_max  0.8556
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29728
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         28.00
_reflns_number_total             7458
_reflns_number_gt                6329
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.
 In 2b, F atoms of two PF6- ions are disordered over two positions with the 
 site occupancy factors (0.44 for F1-F6, 0.56 for F1??-F6?? and 0.26 for 
 F9-F12, 0.74 for F9??-F12??). In 2b, the DFIX restraints in the structural 
 model are applied due to the large variation of some bond geometries. 
 In cases of PF6- ions in 2b were refined isotropically due to the large 
 thermal vibrations.  SHELXL, G.M. Sheldrick, Acta Cryst. 2008, A64, 
 112-122. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1391P)²+30.8733P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7458
_refine_ls_number_parameters     396
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0771
_refine_ls_wR_factor_ref         0.2420
_refine_ls_wR_factor_gt          0.2288
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      2.063
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.28192(5) 0.62152(10) 0.60597(6) 0.0253(3) Uani 1 1 d . . .
Ag2 Ag 0.27621(8) 0.53565(14) 0.88877(8) 0.0424(4) Uani 1 1 d . . .
N1 N 0.1642(6) 0.5760(11) 0.5305(7) 0.024(2) Uani 1 1 d . . .
N2 N 0.4109(6) 0.6318(11) 0.6473(7) 0.025(2) Uani 1 1 d . . .
H2 H 0.4239 0.5946 0.6021 0.030 Uiso 1 1 calc R . .
O1 O 0.1835(5) 0.8290(10) 0.6125(6) 0.030(2) Uani 1 1 d . . .
O2 O 0.2506(5) 0.3561(10) 0.5672(6) 0.0264(19) Uani 1 1 d . B .
S1 S 0.30853(18) 0.8569(3) 0.5351(2) 0.0248(7) Uani 1 1 d . . .
S2 S 0.31882(17) 0.5182(3) 0.7636(2) 0.0237(6) Uani 1 1 d . B .
C1 C 0.0824(9) 0.4655(19) 0.4086(10) 0.041(4) Uani 1 1 d . . .
H1A H 0.0734 0.3960 0.3676 0.049 Uiso 1 1 calc R . .
C2 C 0.0298(8) 0.553(2) 0.4068(12) 0.051(5) Uani 1 1 d . . .
H2A H -0.0157 0.5477 0.3632 0.061 Uiso 1 1 calc R . .
C3 C 0.0432(8) 0.6492(19) 0.4684(13) 0.044(4) Uani 1 1 d . . .
H3A H 0.0069 0.7107 0.4680 0.053 Uiso 1 1 calc R . .
C4 C 0.1098(8) 0.6569(15) 0.5315(10) 0.032(3) Uani 1 1 d . . .
C5 C 0.1233(9) 0.7467(17) 0.6083(12) 0.040(4) Uani 1 1 d . . .
H5A H 0.0803 0.8009 0.6023 0.048 Uiso 1 1 calc R . .
H5B H 0.1335 0.6948 0.6624 0.048 Uiso 1 1 calc R . .
C6 C 0.2293(8) 0.8629(13) 0.6932(9) 0.027(3) Uani 1 1 d . . .
C7 C 0.2216(10) 0.8288(16) 0.7729(10) 0.039(4) Uani 1 1 d . . .
H7A H 0.1813 0.7796 0.7753 0.046 Uiso 1 1 calc R . .
C8 C 0.2734(14) 0.8674(17) 0.8485(11) 0.052(5) Uani 1 1 d . . .
H8A H 0.2681 0.8446 0.9030 0.063 Uiso 1 1 calc R . .
C9 C 0.3318(12) 0.937(2) 0.8469(11) 0.052(5) Uani 1 1 d . . .
H9A H 0.3678 0.9600 0.8996 0.062 Uiso 1 1 calc R . .
C10 C 0.3384(10) 0.9744(16) 0.7681(11) 0.041(4) Uani 1 1 d . . .
H10A H 0.3786 1.0251 0.7668 0.050 Uiso 1 1 calc R . .
C11 C 0.2870(8) 0.9388(14) 0.6902(9) 0.029(3) Uani 1 1 d . . .
C12 C 0.2907(8) 0.9858(13) 0.6043(10) 0.029(3) Uani 1 1 d . . .
H12A H 0.3290 1.0526 0.6148 0.035 Uiso 1 1 calc R . .
H12B H 0.2447 1.0287 0.5726 0.035 Uiso 1 1 calc R . .
C13 C 0.4054(8) 0.8435(15) 0.5731(11) 0.034(3) Uani 1 1 d . . .
H13A H 0.4209 0.8019 0.5268 0.041 Uiso 1 1 calc R . .
H13B H 0.4259 0.9327 0.5823 0.041 Uiso 1 1 calc R . .
C14 C 0.4361(7) 0.7672(14) 0.6554(10) 0.030(3) Uani 1 1 d . . .
H14A H 0.4891 0.7678 0.6716 0.036 Uiso 1 1 calc R . .
H14B H 0.4227 0.8103 0.7028 0.036 Uiso 1 1 calc R . .
C15 C 0.4464(7) 0.5550(15) 0.7258(9) 0.029(3) Uani 1 1 d . B .
H15A H 0.4972 0.5827 0.7491 0.035 Uiso 1 1 calc R . .
H15B H 0.4458 0.4616 0.7095 0.035 Uiso 1 1 calc R . .
C16 C 0.4121(7) 0.5688(16) 0.7970(9) 0.030(3) Uani 1 1 d . . .
H16A H 0.4153 0.6613 0.8158 0.036 Uiso 1 1 calc R B .
H16B H 0.4395 0.5157 0.8477 0.036 Uiso 1 1 calc R . .
C17 C 0.3261(7) 0.3445(14) 0.7412(9) 0.028(3) Uani 1 1 d . . .
H17A H 0.3525 0.3337 0.6987 0.033 Uiso 1 1 calc R B .
H17B H 0.3533 0.2987 0.7955 0.033 Uiso 1 1 calc R . .
C18 C 0.2526(7) 0.2860(13) 0.7054(8) 0.025(2) Uani 1 1 d . B .
C19 C 0.2222(8) 0.2215(14) 0.7608(9) 0.030(3) Uani 1 1 d . . .
H19A H 0.2464 0.2198 0.8217 0.036 Uiso 1 1 calc R B .
C20 C 0.1561(9) 0.1596(16) 0.7264(10) 0.037(3) Uani 1 1 d . B .
H20A H 0.1352 0.1149 0.7639 0.044 Uiso 1 1 calc R . .
C21 C 0.1209(8) 0.1629(16) 0.6380(11) 0.035(3) Uani 1 1 d . . .
H21A H 0.0759 0.1201 0.6151 0.042 Uiso 1 1 calc R B .
C22 C 0.1504(7) 0.2280(14) 0.5821(9) 0.029(3) Uani 1 1 d . B .
H22A H 0.1261 0.2296 0.5213 0.035 Uiso 1 1 calc R . .
C23 C 0.2158(7) 0.2905(12) 0.6162(8) 0.023(2) Uani 1 1 d . . .
C24 C 0.2104(8) 0.3851(14) 0.4786(8) 0.027(3) Uani 1 1 d . . .
H24A H 0.1903 0.3030 0.4482 0.032 Uiso 1 1 calc R B .
H24B H 0.2429 0.4229 0.4490 0.032 Uiso 1 1 calc R . .
C25 C 0.1503(7) 0.4792(14) 0.4720(8) 0.027(3) Uani 1 1 d . B .
P2 P 0.42993(17) 0.2621(3) 0.5189(2) 0.0248(7) Uiso 1 1 d D . .
F7 F 0.4376(5) 0.3124(9) 0.4301(5) 0.045(2) Uiso 1 1 d D A .
F8 F 0.4229(5) 0.2115(9) 0.6077(5) 0.042(2) Uiso 1 1 d D A .
F9 F 0.474(3) 0.129(3) 0.527(4) 0.036(11) Uiso 0.26(7) 1 d PDU A 1
F10 F 0.388(3) 0.392(3) 0.531(3) 0.028(11) Uiso 0.26(7) 1 d PDU A 1
F11 F 0.3538(15) 0.193(5) 0.474(3) 0.025(11) Uiso 0.26(7) 1 d PDU A 1
F12 F 0.5018(18) 0.332(4) 0.579(2) 0.029(10) Uiso 0.26(7) 1 d PDU A 1
F9' F 0.4584(10) 0.1221(8) 0.5003(12) 0.036(4) Uiso 0.74(7) 1 d PDU A 2
F10' F 0.4013(11) 0.4023(10) 0.5344(10) 0.036(5) Uiso 0.74(7) 1 d PDU A 2
F11' F 0.3494(5) 0.219(2) 0.4681(9) 0.042(5) Uiso 0.74(7) 1 d PDU A 2
F12' F 0.5112(6) 0.304(2) 0.5656(9) 0.042(4) Uiso 0.74(7) 1 d PDU A 2
P1 P 0.0981(5) 0.5049(10) 0.8542(6) 0.119(3) Uiso 1 1 d D . .
F1 F 0.1686(10) 0.457(4) 0.9184(18) 0.087(11) Uiso 0.44(4) 1 d PDU B 1
F2 F 0.0544(15) 0.461(3) 0.9214(17) 0.084(11) Uiso 0.44(4) 1 d PDU B 1
F3 F 0.0180(10) 0.546(4) 0.7932(19) 0.099(13) Uiso 0.44(4) 1 d PDU B 1
F4 F 0.1306(11) 0.554(3) 0.7876(14) 0.052(7) Uiso 0.44(4) 1 d PDU B 1
F5 F 0.082(2) 0.366(2) 0.812(2) 0.26(3) Uiso 0.44(4) 1 d PDU B 1
F6 F 0.106(3) 0.642(2) 0.899(2) 0.21(2) Uiso 0.44(4) 1 d PDU B 1
F1' F 0.1694(5) 0.4253(15) 0.9034(9) 0.027(4) Uiso 0.56(4) 1 d PDU B 2
F2' F 0.0744(15) 0.514(3) 0.9397(12) 0.114(12) Uiso 0.56(4) 1 d PDU B 2
F3' F 0.0277(10) 0.585(3) 0.8029(16) 0.155(19) Uiso 0.56(4) 1 d PDU B 2
F4' F 0.1204(14) 0.499(3) 0.7675(11) 0.111(12) Uiso 0.56(4) 1 d PDU B 2
F5' F 0.0529(12) 0.3728(18) 0.829(2) 0.133(15) Uiso 0.56(4) 1 d PDU B 2
F6' F 0.1417(14) 0.6387(15) 0.880(2) 0.122(13) Uiso 0.56(4) 1 d PDU B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.296(11) . ?
Ag1 N2 2.410(12) . ?
Ag1 S2 2.645(3) . ?
Ag1 S1 2.787(3) . ?
Ag2 S2 2.432(3) . ?
Ag2 F1 2.45(3) . ?
Ag2 F1' 2.458(14) . ?
Ag2 S1 2.506(3) 4_576 ?
N1 C25 1.338(18) . ?
N1 C4 1.356(19) . ?
N2 C14 1.463(18) . ?
N2 C15 1.471(18) . ?
O1 C6 1.377(17) . ?
O1 C5 1.436(18) . ?
O2 C23 1.375(15) . ?
O2 C24 1.434(16) . ?
S1 C13 1.810(15) . ?
S1 C12 1.834(14) . ?
S1 Ag2 2.506(3) 4_575 ?
S2 C16 1.814(14) . ?
S2 C17 1.829(14) . ?
C1 C2 1.36(3) . ?
C1 C25 1.41(2) . ?
C2 C3 1.36(3) . ?
C3 C4 1.39(2) . ?
C4 C5 1.50(2) . ?
C6 C11 1.39(2) . ?
C6 C7 1.39(2) . ?
C7 C8 1.38(3) . ?
C8 C9 1.36(3) . ?
C9 C10 1.38(3) . ?
C10 C11 1.39(2) . ?
C11 C12 1.50(2) . ?
C13 C14 1.50(2) . ?
C15 C16 1.51(2) . ?
C17 C18 1.501(19) . ?
C18 C19 1.391(19) . ?
C18 C23 1.397(17) . ?
C19 C20 1.39(2) . ?
C20 C21 1.38(2) . ?
C21 C22 1.39(2) . ?
C22 C23 1.384(19) . ?
C24 C25 1.50(2) . ?
P2 F8 1.576(8) . ?
P2 F7 1.579(8) . ?
P2 F10' 1.590(7) . ?
P2 F12' 1.594(8) . ?
P2 F11' 1.596(8) . ?
P2 F9' 1.600(7) . ?
P2 F9 1.601(18) . ?
P2 F11 1.609(17) . ?
P2 F10 1.610(17) . ?
P2 F12 1.611(17) . ?
P1 F4 1.502(14) . ?
P1 F1 1.524(15) . ?
P1 F5 1.560(15) . ?
P1 F6 1.566(15) . ?
P1 F4' 1.598(2) . ?
P1 F1' 1.599(2) . ?
P1 F2' 1.599(2) . ?
P1 F6' 1.599(2) . ?
P1 F5' 1.599(2) . ?
P1 F3' 1.599(2) . ?
P1 F3 1.628(15) . ?
P1 F2 1.648(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 161.9(4) . . ?
N1 Ag1 S2 110.9(3) . . ?
N2 Ag1 S2 78.8(3) . . ?
N1 Ag1 S1 104.1(3) . . ?
N2 Ag1 S1 76.1(3) . . ?
S2 Ag1 S1 135.48(11) . . ?
S2 Ag2 F1 133.3(9) . . ?
S2 Ag2 F1' 125.1(4) . . ?
F1 Ag2 F1' 9.6(10) . . ?
S2 Ag2 S1 140.33(12) . 4_576 ?
F1 Ag2 S1 86.2(9) . 4_576 ?
F1' Ag2 S1 94.5(4) . 4_576 ?
C25 N1 C4 118.4(12) . . ?
C25 N1 Ag1 118.3(9) . . ?
C4 N1 Ag1 122.3(9) . . ?
C14 N2 C15 111.9(11) . . ?
C14 N2 Ag1 111.2(8) . . ?
C15 N2 Ag1 112.8(8) . . ?
C6 O1 C5 118.3(12) . . ?
C23 O2 C24 117.5(10) . . ?
C13 S1 C12 103.3(7) . . ?
C13 S1 Ag2 106.3(5) . 4_575 ?
C12 S1 Ag2 102.9(5) . 4_575 ?
C13 S1 Ag1 96.2(5) . . ?
C12 S1 Ag1 105.8(5) . . ?
Ag2 S1 Ag1 138.07(14) 4_575 . ?
C16 S2 C17 101.6(7) . . ?
C16 S2 Ag2 108.2(5) . . ?
C17 S2 Ag2 107.8(5) . . ?
C16 S2 Ag1 96.7(5) . . ?
C17 S2 Ag1 102.2(4) . . ?
Ag2 S2 Ag1 135.57(14) . . ?
C2 C1 C25 119.1(16) . . ?
C1 C2 C3 119.3(14) . . ?
C2 C3 C4 120.0(16) . . ?
N1 C4 C3 121.4(15) . . ?
N1 C4 C5 116.8(13) . . ?
C3 C4 C5 121.7(15) . . ?
O1 C5 C4 109.0(12) . . ?
O1 C6 C11 113.8(12) . . ?
O1 C6 C7 126.1(14) . . ?
C11 C6 C7 120.1(14) . . ?
C8 C7 C6 119.1(17) . . ?
C9 C8 C7 121.6(16) . . ?
C8 C9 C10 119.4(17) . . ?
C9 C10 C11 120.9(18) . . ?
C6 C11 C10 118.8(15) . . ?
C6 C11 C12 119.5(13) . . ?
C10 C11 C12 121.6(14) . . ?
C11 C12 S1 114.4(10) . . ?
C14 C13 S1 115.3(10) . . ?
N2 C14 C13 112.6(12) . . ?
N2 C15 C16 113.9(11) . . ?
C15 C16 S2 113.4(9) . . ?
C18 C17 S2 109.7(9) . . ?
C19 C18 C23 119.7(13) . . ?
C19 C18 C17 119.7(12) . . ?
C23 C18 C17 120.5(12) . . ?
C18 C19 C20 119.5(13) . . ?
C21 C20 C19 120.1(13) . . ?
C20 C21 C22 120.8(15) . . ?
C23 C22 C21 119.1(13) . . ?
O2 C23 C22 124.2(12) . . ?
O2 C23 C18 115.1(11) . . ?
C22 C23 C18 120.6(12) . . ?
O2 C24 C25 112.1(10) . . ?
N1 C25 C1 121.6(14) . . ?
N1 C25 C24 116.4(12) . . ?
C1 C25 C24 122.0(13) . . ?
F8 P2 F7 179.6(5) . . ?
F8 P2 F10' 90.8(6) . . ?
F7 P2 F10' 89.4(6) . . ?
F8 P2 F12' 91.1(6) . . ?
F7 P2 F12' 88.6(6) . . ?
F10' P2 F12' 92.0(8) . . ?
F8 P2 F11' 91.3(6) . . ?
F7 P2 F11' 89.1(6) . . ?
F10' P2 F11' 89.2(7) . . ?
F12' P2 F11' 177.4(9) . . ?
F8 P2 F9' 90.8(6) . . ?
F7 P2 F9' 88.9(6) . . ?
F10' P2 F9' 178.3(8) . . ?
F12' P2 F9' 88.4(7) . . ?
F11' P2 F9' 90.4(8) . . ?
F8 P2 F9 81.6(19) . . ?
F7 P2 F9 98.1(19) . . ?
F10' P2 F9 165(2) . . ?
F12' P2 F9 75.5(18) . . ?
F11' P2 F9 103.7(19) . . ?
F9' P2 F9 16(2) . . ?
F8 P2 F11 86.3(17) . . ?
F7 P2 F11 94.0(17) . . ?
F10' P2 F11 98.4(19) . . ?
F12' P2 F11 169.3(19) . . ?
F11' P2 F11 10.5(19) . . ?
F9' P2 F11 81.3(18) . . ?
F9 P2 F11 94(2) . . ?
F8 P2 F10 87.6(17) . . ?
F7 P2 F10 92.7(17) . . ?
F10' P2 F10 10(2) . . ?
F12' P2 F10 101.5(19) . . ?
F11' P2 F10 80(2) . . ?
F9' P2 F10 170(2) . . ?
F9 P2 F10 169(3) . . ?
F11 P2 F10 89(2) . . ?
F8 P2 F12 84.6(15) . . ?
F7 P2 F12 95.2(16) . . ?
F10' P2 F12 77.7(18) . . ?
F12' P2 F12 15.8(17) . . ?
F11' P2 F12 166(2) . . ?
F9' P2 F12 102.9(17) . . ?
F9 P2 F12 89(2) . . ?
F11 P2 F12 170(2) . . ?
F10 P2 F12 87(2) . . ?
F4 P1 F1 95.6(10) . . ?
F4 P1 F5 94.0(11) . . ?
F1 P1 F5 91.4(11) . . ?
F4 P1 F6 91.7(10) . . ?
F1 P1 F6 92.3(11) . . ?
F5 P1 F6 172.9(13) . . ?
F4 P1 F4' 23.8(13) . . ?
F1 P1 F4' 98.4(15) . . ?
F5 P1 F4' 70.3(15) . . ?
F6 P1 F4' 115.1(15) . . ?
F4 P1 F1' 91.4(12) . . ?
F1 P1 F1' 14.9(16) . . ?
F5 P1 F1' 77.4(18) . . ?
F6 P1 F1' 106.8(18) . . ?
F4' P1 F1' 88.8(8) . . ?
F4 P1 F2' 155.5(13) . . ?
F1 P1 F2' 82.9(15) . . ?
F5 P1 F2' 110.4(15) . . ?
F6 P1 F2' 64.0(14) . . ?
F4' P1 F2' 178.5(10) . . ?
F1' P1 F2' 92.6(8) . . ?
F4 P1 F6' 65.7(13) . . ?
F1 P1 F6' 78.3(17) . . ?
F5 P1 F6' 155.8(15) . . ?
F6 P1 F6' 31.3(15) . . ?
F4' P1 F6' 89.4(8) . . ?
F1' P1 F6' 89.6(8) . . ?
F2' P1 F6' 90.2(8) . . ?
F4 P1 F5' 115.1(13) . . ?
F1 P1 F5' 102.6(17) . . ?
F5 P1 F5' 25.5(15) . . ?
F6 P1 F5' 147.4(15) . . ?
F4' P1 F5' 91.5(8) . . ?
F1' P1 F5' 91.5(8) . . ?
F2' P1 F5' 88.9(8) . . ?
F6' P1 F5' 178.6(9) . . ?
F4 P1 F3' 87.1(14) . . ?
F1 P1 F3' 165.6(18) . . ?
F5 P1 F3' 102.5(19) . . ?
F6 P1 F3' 73.5(19) . . ?
F4' P1 F3' 89.7(8) . . ?
F1' P1 F3' 178.5(9) . . ?
F2' P1 F3' 88.9(8) . . ?
F6' P1 F3' 90.0(8) . . ?
F5' P1 F3' 89.0(8) . . ?
F4 P1 F3 91.5(10) . . ?
F1 P1 F3 172.9(13) . . ?
F5 P1 F3 86.9(10) . . ?
F6 P1 F3 88.7(10) . . ?
F4' P1 F3 87.5(15) . . ?
F1' P1 F3 164.2(17) . . ?
F2' P1 F3 91.2(15) . . ?
F6' P1 F3 105.8(18) . . ?
F5' P1 F3 73.2(18) . . ?
F3' P1 F3 15.9(19) . . ?
F4 P1 F2 173.5(11) . . ?
F1 P1 F2 90.7(10) . . ?
F5 P1 F2 87.7(10) . . ?
F6 P1 F2 86.2(10) . . ?
F4' P1 F2 156.2(14) . . ?
F1' P1 F2 95.1(13) . . ?
F2' P1 F2 24.0(14) . . ?
F6' P1 F2 114.0(14) . . ?
F5' P1 F2 65.0(14) . . ?
F3' P1 F2 86.4(15) . . ?
F3 P1 F2 82.3(9) . . ?
P1 F1 Ag2 114.6(13) . . ?
P1 F1' Ag2 111.0(8) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         4.761
_refine_diff_density_min         -3.129
_refine_diff_density_rms         0.254

_vrf_PLAT971_2b                  
;
PROBLEM: "Check Calcd Residual Density 0.52A From F3  4.42 eA-3."
RESPONSE: "The alternate isotropic refinement for the PF6- in 2b
still showed the residual electron density due to the large 
thermal vibrations of the F atoms."
;
####################################################################### 
# 
# 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 1568194'
_audit_update_record             
;
2017-10-23 deposited with the CCDC.
2017-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C50 H56 Ag4 F6 N4 O4 P S4, 3(F6 P), 2(C H2 Cl2)'
_chemical_formula_sum            'C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4'
_chemical_formula_weight         2086.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6576(5)
_cell_length_b                   17.0361(8)
_cell_length_c                   20.7041(9)
_cell_angle_alpha                83.502(2)
_cell_angle_beta                 76.853(2)
_cell_angle_gamma                73.030(2)
_cell_volume                     3496.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7043
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      23.55

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2056
_exptl_absorpt_coefficient_mu    1.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7752
_exptl_absorpt_correction_T_max  0.9252
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            57388
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         26.00
_reflns_number_total             13730
_reflns_number_gt                8947
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 In 2a, F atoms of two PF6- ions are disordered over two positions with the
 site occupancy factors (0.54 for F1-F4, 0.48 for F1'-F4' and 0.57 for 
 F19-F21, 0.43 for F19'-F21'). The carbon atom of dichloromethane is 
 disordered over two positions with the site occupancy factors of 0.65 for 
 C52 and 0.35 for C52'. In cases of PF6- ions and dichloromethane in 2a 
 were refined isotropically due to the large thermal vibrations.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0684P)²+43.1406P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13730
_refine_ls_number_parameters     766
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1157
_refine_ls_R_factor_gt           0.0730
_refine_ls_wR_factor_ref         0.1990
_refine_ls_wR_factor_gt          0.1692
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.58575(7) 0.02098(4) 0.21882(4) 0.03346(19) Uani 1 1 d . . .
Ag2 Ag 0.32147(8) 0.27629(4) 0.12635(4) 0.0440(2) Uani 1 1 d . . .
Ag3 Ag 0.05557(7) 0.53195(4) 0.23768(4) 0.03343(19) Uani 1 1 d . . .
Ag4 Ag -0.10878(9) 0.81499(5) 0.32167(4) 0.0465(2) Uani 1 1 d . . .
N1 N 0.4219(7) -0.0407(4) 0.2631(3) 0.0232(15) Uani 1 1 d . . .
N2 N 0.7833(8) 0.0512(5) 0.1589(5) 0.044(2) Uani 1 1 d . . .
H2 H 0.8426 0.0009 0.1460 0.053 Uiso 1 1 calc R . .
N3 N -0.1238(7) 0.4905(5) 0.2813(4) 0.0319(17) Uani 1 1 d . . .
N4 N 0.2482(7) 0.5664(4) 0.2127(3) 0.0254(15) Uani 1 1 d . . .
H4 H 0.2381 0.6107 0.1818 0.030 Uiso 1 1 calc R . .
O1 O 0.4906(6) 0.0273(4) 0.3681(3) 0.0310(14) Uani 1 1 d . . .
O2 O 0.4925(6) -0.0447(4) 0.1197(3) 0.0294(13) Uani 1 1 d . . .
O3 O -0.1032(6) 0.5300(4) 0.1390(3) 0.0368(16) Uani 1 1 d . . .
O4 O -0.0044(7) 0.4950(4) 0.3920(3) 0.0350(15) Uani 1 1 d . . .
S1 S 0.7982(2) -0.04089(14) 0.29605(12) 0.0325(5) Uani 1 1 d . . .
S2 S 0.4933(2) 0.14645(13) 0.12485(11) 0.0288(5) Uani 1 1 d . . .
S3 S 0.2081(2) 0.42132(13) 0.13344(11) 0.0287(5) Uani 1 1 d . . .
S4 S 0.0136(2) 0.67143(13) 0.32955(11) 0.0313(5) Uani 1 1 d . . .
C1 C 0.3049(11) -0.1372(6) 0.2526(5) 0.040(2) Uani 1 1 d . . .
H1A H 0.2965 -0.1786 0.2280 0.048 Uiso 1 1 calc R . .
C2 C 0.2185(11) -0.1161(7) 0.3128(5) 0.047(3) Uani 1 1 d . . .
H2A H 0.1495 -0.1423 0.3295 0.056 Uiso 1 1 calc R . .
C3 C 0.2332(10) -0.0570(6) 0.3481(5) 0.037(2) Uani 1 1 d . . .
H3A H 0.1742 -0.0413 0.3892 0.045 Uiso 1 1 calc R . .
C4 C 0.3354(9) -0.0211(5) 0.3226(4) 0.0275(19) Uani 1 1 d . . .
C5 C 0.3564(9) 0.0440(5) 0.3598(4) 0.030(2) Uani 1 1 d . . .
H5A H 0.3318 0.0978 0.3353 0.036 Uiso 1 1 calc R . .
H5B H 0.2958 0.0480 0.4040 0.036 Uiso 1 1 calc R . .
C6 C 0.5346(9) -0.0339(5) 0.4139(4) 0.031(2) Uani 1 1 d . . .
C7 C 0.4555(11) -0.0803(6) 0.4545(5) 0.040(2) Uani 1 1 d . . .
H7A H 0.3642 -0.0707 0.4522 0.048 Uiso 1 1 calc R . .
C8 C 0.5134(13) -0.1409(7) 0.4984(5) 0.050(3) Uani 1 1 d . . .
H8A H 0.4608 -0.1731 0.5259 0.060 Uiso 1 1 calc R . .
C9 C 0.6456(13) -0.1551(7) 0.5028(5) 0.055(3) Uani 1 1 d . . .
H9A H 0.6839 -0.1969 0.5327 0.066 Uiso 1 1 calc R . .
C10 C 0.7212(12) -0.1081(7) 0.4632(5) 0.046(3) Uani 1 1 d . . .
H10A H 0.8125 -0.1184 0.4658 0.056 Uiso 1 1 calc R . .
C11 C 0.6670(9) -0.0452(6) 0.4191(4) 0.034(2) Uani 1 1 d . . .
C12 C 0.7481(10) 0.0049(6) 0.3762(5) 0.039(2) Uani 1 1 d . . .
H12A H 0.8276 0.0029 0.3941 0.047 Uiso 1 1 calc R . .
H12B H 0.6946 0.0628 0.3725 0.047 Uiso 1 1 calc R . .
C13 C 0.9147(10) 0.0138(7) 0.2460(6) 0.047(3) Uani 1 1 d . . .
H13A H 0.9556 0.0357 0.2758 0.057 Uiso 1 1 calc R . .
H13B H 0.9876 -0.0253 0.2171 0.057 Uiso 1 1 calc R . .
C14 C 0.8467(11) 0.0831(6) 0.2037(6) 0.046(3) Uani 1 1 d . . .
H14A H 0.7773 0.1242 0.2323 0.056 Uiso 1 1 calc R . .
H14B H 0.9130 0.1105 0.1769 0.056 Uiso 1 1 calc R . .
C15 C 0.7731(11) 0.1019(7) 0.0978(5) 0.051(3) Uani 1 1 d . . .
H15A H 0.7727 0.0672 0.0626 0.061 Uiso 1 1 calc R . .
H15B H 0.8538 0.1222 0.0837 0.061 Uiso 1 1 calc R . .
C16 C 0.6497(10) 0.1750(6) 0.1033(5) 0.040(2) Uani 1 1 d . . .
H16A H 0.6532 0.2073 0.0604 0.048 Uiso 1 1 calc R . .
H16B H 0.6513 0.2107 0.1375 0.048 Uiso 1 1 calc R . .
C17 C 0.4983(10) 0.0990(5) 0.0493(4) 0.033(2) Uani 1 1 d . . .
H17A H 0.4981 0.1401 0.0115 0.039 Uiso 1 1 calc R . .
H17B H 0.5818 0.0537 0.0394 0.039 Uiso 1 1 calc R . .
C18 C 0.3806(9) 0.0663(5) 0.0577(4) 0.030(2) Uani 1 1 d . . .
C19 C 0.2704(10) 0.1064(6) 0.0292(5) 0.038(2) Uani 1 1 d . . .
H19A H 0.2692 0.1574 0.0050 0.046 Uiso 1 1 calc R . .
C20 C 0.1636(11) 0.0747(7) 0.0351(5) 0.043(2) Uani 1 1 d . . .
H20A H 0.0900 0.1029 0.0149 0.052 Uiso 1 1 calc R . .
C21 C 0.1653(11) 0.0011(6) 0.0707(5) 0.041(2) Uani 1 1 d . . .
H21A H 0.0922 -0.0215 0.0745 0.049 Uiso 1 1 calc R . .
C22 C 0.2710(9) -0.0409(5) 0.1013(4) 0.031(2) Uani 1 1 d . . .
H22A H 0.2696 -0.0911 0.1262 0.037 Uiso 1 1 calc R . .
C23 C 0.3780(9) -0.0085(5) 0.0948(4) 0.028(2) Uani 1 1 d . . .
C24 C 0.4985(10) -0.1179(5) 0.1631(4) 0.035(2) Uani 1 1 d . . .
H24A H 0.5910 -0.1417 0.1705 0.042 Uiso 1 1 calc R . .
H24B H 0.4745 -0.1593 0.1420 0.042 Uiso 1 1 calc R . .
C25 C 0.4035(9) -0.0975(5) 0.2287(4) 0.0283(19) Uani 1 1 d . . .
C26 C -0.2344(13) 0.4097(8) 0.3641(6) 0.059(3) Uani 1 1 d . . .
H26A H -0.2340 0.3757 0.4038 0.071 Uiso 1 1 calc R . .
C27 C -0.3411(13) 0.4280(10) 0.3341(7) 0.074(4) Uani 1 1 d . . .
H27A H -0.4154 0.4064 0.3517 0.088 Uiso 1 1 calc R . .
C28 C -0.3378(11) 0.4796(9) 0.2767(6) 0.064(4) Uani 1 1 d . . .
H28A H -0.4117 0.4938 0.2551 0.076 Uiso 1 1 calc R . .
C29 C -0.2282(10) 0.5105(7) 0.2504(5) 0.044(3) Uani 1 1 d . . .
C30 C -0.2186(10) 0.5646(6) 0.1897(5) 0.046(3) Uani 1 1 d . . .
H30A H -0.3009 0.5745 0.1720 0.055 Uiso 1 1 calc R . .
H30B H -0.2131 0.6182 0.2011 0.055 Uiso 1 1 calc R . .
C31 C -0.1059(10) 0.4634(5) 0.1072(4) 0.033(2) Uani 1 1 d . . .
C32 C -0.2175(10) 0.4359(6) 0.1116(5) 0.040(2) Uani 1 1 d . . .
H32A H -0.3003 0.4621 0.1392 0.048 Uiso 1 1 calc R . .
C33 C -0.2081(11) 0.3704(7) 0.0759(5) 0.046(3) Uani 1 1 d . . .
H33A H -0.2850 0.3516 0.0792 0.056 Uiso 1 1 calc R . .
C34 C -0.0909(12) 0.3319(7) 0.0359(5) 0.048(3) Uani 1 1 d . . .
H34A H -0.0860 0.2865 0.0118 0.058 Uiso 1 1 calc R . .
C35 C 0.0222(11) 0.3598(6) 0.0306(5) 0.042(3) Uani 1 1 d . . .
H35A H 0.1041 0.3331 0.0027 0.050 Uiso 1 1 calc R . .
C36 C 0.0163(10) 0.4256(5) 0.0655(4) 0.033(2) Uani 1 1 d . . .
C37 C 0.1369(10) 0.4565(6) 0.0591(5) 0.038(2) Uani 1 1 d . . .
H37A H 0.1109 0.5173 0.0546 0.045 Uiso 1 1 calc R . .
H37B H 0.2043 0.4352 0.0190 0.045 Uiso 1 1 calc R . .
C38 C 0.3396(10) 0.4739(6) 0.1179(5) 0.037(2) Uani 1 1 d . . .
H38A H 0.4245 0.4371 0.0949 0.044 Uiso 1 1 calc R . .
H38B H 0.3153 0.5233 0.0883 0.044 Uiso 1 1 calc R . .
C39 C 0.3606(9) 0.4992(5) 0.1812(4) 0.031(2) Uani 1 1 d . . .
H39A H 0.3731 0.4510 0.2130 0.037 Uiso 1 1 calc R . .
H39B H 0.4438 0.5171 0.1714 0.037 Uiso 1 1 calc R . .
C40 C 0.2806(9) 0.5930(5) 0.2703(4) 0.030(2) Uani 1 1 d . . .
H40A H 0.3726 0.5993 0.2578 0.036 Uiso 1 1 calc R . .
H40B H 0.2797 0.5495 0.3062 0.036 Uiso 1 1 calc R . .
C41 C 0.1851(10) 0.6736(6) 0.2972(5) 0.035(2) Uani 1 1 d . . .
H41A H 0.1859 0.7169 0.2611 0.042 Uiso 1 1 calc R . .
H41B H 0.2197 0.6892 0.3329 0.042 Uiso 1 1 calc R . .
C42 C 0.0096(11) 0.6456(6) 0.4188(5) 0.039(2) Uani 1 1 d . . .
H42A H 0.0242 0.6915 0.4387 0.047 Uiso 1 1 calc R . .
H42B H -0.0808 0.6404 0.4405 0.047 Uiso 1 1 calc R . .
C43 C 0.1101(10) 0.5690(6) 0.4333(5) 0.036(2) Uani 1 1 d . . .
C44 C 0.2173(11) 0.5720(7) 0.4598(5) 0.047(3) Uani 1 1 d . . .
H44A H 0.2266 0.6235 0.4681 0.057 Uiso 1 1 calc R . .
C45 C 0.3110(11) 0.4995(10) 0.4741(6) 0.062(4) Uani 1 1 d . . .
H45A H 0.3821 0.5018 0.4938 0.075 Uiso 1 1 calc R . .
C46 C 0.3017(12) 0.4253(8) 0.4602(6) 0.056(3) Uani 1 1 d . . .
H46A H 0.3681 0.3767 0.4690 0.067 Uiso 1 1 calc R . .
C47 C 0.1956(11) 0.4199(7) 0.4332(5) 0.044(3) Uani 1 1 d . . .
H47A H 0.1877 0.3681 0.4245 0.053 Uiso 1 1 calc R . .
C48 C 0.1028(10) 0.4921(6) 0.4195(4) 0.035(2) Uani 1 1 d . . .
C49 C -0.0088(11) 0.4204(6) 0.3687(5) 0.039(2) Uani 1 1 d . . .
H49A H -0.0177 0.3795 0.4062 0.047 Uiso 1 1 calc R . .
H49B H 0.0744 0.3972 0.3362 0.047 Uiso 1 1 calc R . .
C50 C -0.1270(11) 0.4405(6) 0.3368(5) 0.041(2) Uani 1 1 d . . .
P1 P 0.4573(3) 0.27514(17) 0.29095(14) 0.0410(6) Uiso 1 1 d . . .
F1 F 0.3116(18) 0.2989(10) 0.2709(9) 0.079(5) Uiso 0.539(15) 1 d P A 1
F2 F 0.4007(16) 0.2481(9) 0.3609(7) 0.071(5) Uiso 0.539(15) 1 d P A 1
F3 F 0.6037(18) 0.2591(11) 0.2993(10) 0.097(6) Uiso 0.539(15) 1 d P A 1
F4 F 0.5071(12) 0.3037(7) 0.2140(6) 0.050(4) Uiso 0.539(15) 1 d P A 1
F1' F 0.3285(16) 0.2548(8) 0.3462(7) 0.052(4) Uiso 0.461(15) 1 d P A 2
F2' F 0.5340(18) 0.2502(11) 0.3501(9) 0.079(6) Uiso 0.461(15) 1 d P A 2
F3' F 0.574(2) 0.2971(11) 0.2393(10) 0.084(6) Uiso 0.461(15) 1 d P A 2
F4' F 0.372(3) 0.2961(15) 0.2391(13) 0.109(8) Uiso 0.461(15) 1 d P A 2
F5 F 0.4167(7) 0.3673(4) 0.3118(3) 0.0620(18) Uiso 1 1 d . A .
F6 F 0.5010(8) 0.1830(5) 0.2679(4) 0.079(2) Uiso 1 1 d . A .
P2 P 0.9078(3) 0.16870(17) 0.46885(14) 0.0434(6) Uiso 1 1 d . . .
F7 F 0.8652(11) 0.1775(7) 0.4008(5) 0.118(3) Uiso 1 1 d . . .
F8 F 0.8401(9) 0.0967(5) 0.4889(4) 0.091(3) Uiso 1 1 d . . .
F9 F 0.9443(9) 0.1638(6) 0.5389(5) 0.095(3) Uiso 1 1 d . . .
F10 F 0.9739(12) 0.2410(7) 0.4502(6) 0.128(4) Uiso 1 1 d . . .
F11 F 0.7677(13) 0.2281(8) 0.4996(7) 0.152(5) Uiso 1 1 d . . .
F12 F 1.0419(11) 0.1094(7) 0.4396(5) 0.114(3) Uiso 1 1 d . . .
P3 P 0.5169(2) 0.32121(15) -0.06551(12) 0.0326(5) Uiso 1 1 d . . .
F13 F 0.5335(8) 0.3207(5) -0.1438(4) 0.076(2) Uiso 1 1 d . . .
F14 F 0.3854(9) 0.2926(6) -0.0533(4) 0.093(3) Uiso 1 1 d . . .
F15 F 0.5041(7) 0.3233(4) 0.0124(3) 0.0640(18) Uiso 1 1 d . . .
F16 F 0.6499(7) 0.3492(4) -0.0775(3) 0.0611(17) Uiso 1 1 d . . .
F17 F 0.6018(6) 0.2280(4) -0.0632(3) 0.0462(14) Uiso 1 1 d . . .
F18 F 0.4313(7) 0.4148(4) -0.0677(3) 0.0592(17) Uiso 1 1 d . . .
P4 P 0.9624(3) 0.79065(17) 0.13829(14) 0.0436(6) Uiso 1 1 d . . .
F19 F 1.0629(14) 0.6967(8) 0.1311(8) 0.063(4) Uiso 0.57(2) 1 d P B 1
F20 F 0.8730(14) 0.7528(11) 0.2030(7) 0.070(5) Uiso 0.57(2) 1 d P B 1
F21 F 0.8536(16) 0.8734(9) 0.1494(8) 0.074(5) Uiso 0.57(2) 1 d P B 1
F19' F 1.027(2) 0.7084(13) 0.1646(13) 0.082(7) Uiso 0.43(2) 1 d P B 2
F20' F 0.906(2) 0.8895(13) 0.1147(12) 0.081(7) Uiso 0.43(2) 1 d P B 2
F21' F 0.8361(19) 0.8029(14) 0.1987(9) 0.067(6) Uiso 0.43(2) 1 d P B 2
F22 F 1.0622(9) 0.8111(5) 0.0763(4) 0.087(2) Uiso 1 1 d . B .
F23 F 0.8796(6) 0.7652(4) 0.0937(3) 0.0562(16) Uiso 1 1 d . B .
F24 F 1.0425(8) 0.8178(5) 0.1849(4) 0.077(2) Uiso 1 1 d . B .
C51 C 0.0653(15) 0.2163(9) 0.2656(7) 0.074(4) Uiso 1 1 d . . .
H51A H 0.1210 0.2407 0.2852 0.089 Uiso 1 1 calc R . .
H51B H -0.0008 0.1996 0.3023 0.089 Uiso 1 1 calc R . .
Cl1 Cl -0.0191(5) 0.2898(3) 0.2126(2) 0.0999(13) Uiso 1 1 d . . .
Cl2 Cl 0.1665(4) 0.1307(2) 0.22328(18) 0.0697(9) Uiso 1 1 d . . .
C52 C 0.523(2) 0.7337(13) 0.3850(10) 0.066(7) Uiso 0.65(3) 1 d P C 1
H52A H 0.5555 0.7370 0.4255 0.079 Uiso 0.65(3) 1 calc PR C 1
H52B H 0.4359 0.7760 0.3867 0.079 Uiso 0.65(3) 1 calc PR C 1
C52' C 0.649(6) 0.675(4) 0.387(3) 0.12(2) Uiso 0.35(3) 1 d P C 2
H52C H 0.7325 0.6296 0.3793 0.141 Uiso 0.35(3) 1 calc PR C 2
H52D H 0.6395 0.7000 0.4295 0.141 Uiso 0.35(3) 1 calc PR C 2
Cl3 Cl 0.4993(6) 0.6406(4) 0.3849(3) 0.140(2) Uiso 1 1 d . . .
Cl4 Cl 0.6400(5) 0.7554(3) 0.3137(2) 0.1003(13) Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.262(7) . ?
Ag1 N2 2.354(9) . ?
Ag1 S2 2.833(2) . ?
Ag1 S1 2.944(2) . ?
Ag2 S3 2.418(2) . ?
Ag2 S2 2.423(2) . ?
Ag3 N3 2.197(7) . ?
Ag3 N4 2.231(7) . ?
Ag3 S3 2.896(2) . ?
Ag4 S1 2.411(2) 1_465 ?
Ag4 S4 2.419(2) . ?
N1 C25 1.346(10) . ?
N1 C4 1.369(11) . ?
N2 C15 1.455(13) . ?
N2 C14 1.491(13) . ?
N3 C29 1.347(12) . ?
N3 C50 1.352(13) . ?
N4 C40 1.467(11) . ?
N4 C39 1.477(11) . ?
O1 C6 1.378(10) . ?
O1 C5 1.422(10) . ?
O2 C23 1.382(11) . ?
O2 C24 1.447(10) . ?
O3 C31 1.384(11) . ?
O3 C30 1.447(11) . ?
O4 C48 1.374(11) . ?
O4 C49 1.427(11) . ?
S1 C12 1.815(10) . ?
S1 C13 1.832(10) . ?
S1 Ag4 2.412(2) 1_645 ?
S2 C16 1.817(10) . ?
S2 C17 1.824(9) . ?
S3 C38 1.827(9) . ?
S3 C37 1.834(9) . ?
S4 C41 1.808(10) . ?
S4 C42 1.845(9) . ?
C1 C25 1.381(13) . ?
C1 C2 1.384(15) . ?
C2 C3 1.372(14) . ?
C3 C4 1.377(13) . ?
C4 C5 1.513(12) . ?
C6 C11 1.394(13) . ?
C6 C7 1.399(14) . ?
C7 C8 1.396(14) . ?
C8 C9 1.381(16) . ?
C9 C10 1.375(17) . ?
C10 C11 1.404(14) . ?
C11 C12 1.475(14) . ?
C13 C14 1.497(14) . ?
C15 C16 1.517(14) . ?
C17 C18 1.483(13) . ?
C18 C19 1.397(13) . ?
C18 C23 1.416(12) . ?
C19 C20 1.372(15) . ?
C20 C21 1.379(14) . ?
C21 C22 1.390(13) . ?
C22 C23 1.379(13) . ?
C24 C25 1.506(12) . ?
C26 C27 1.358(18) . ?
C26 C50 1.376(15) . ?
C27 C28 1.396(19) . ?
C28 C29 1.395(16) . ?
C29 C30 1.474(16) . ?
C31 C32 1.382(14) . ?
C31 C36 1.408(13) . ?
C32 C33 1.375(14) . ?
C33 C34 1.359(15) . ?
C34 C35 1.397(15) . ?
C35 C36 1.381(13) . ?
C36 C37 1.500(14) . ?
C38 C39 1.508(13) . ?
C40 C41 1.525(12) . ?
C42 C43 1.477(13) . ?
C43 C44 1.391(14) . ?
C43 C48 1.399(13) . ?
C44 C45 1.394(17) . ?
C45 C46 1.363(18) . ?
C46 C47 1.400(16) . ?
C47 C48 1.383(13) . ?
C49 C50 1.489(14) . ?
P1 F4' 1.51(2) . ?
P1 F2 1.513(15) . ?
P1 F3 1.550(18) . ?
P1 F3' 1.553(19) . ?
P1 F2' 1.575(18) . ?
P1 F5 1.585(7) . ?
P1 F6 1.596(8) . ?
P1 F1 1.624(17) . ?
P1 F4 1.628(12) . ?
P1 F1' 1.669(15) . ?
P2 F12 1.527(11) . ?
P2 F7 1.554(11) . ?
P2 F10 1.560(12) . ?
P2 F8 1.570(9) . ?
P2 F9 1.572(9) . ?
P2 F11 1.578(13) . ?
P3 F14 1.574(9) . ?
P3 F16 1.583(7) . ?
P3 F17 1.584(6) . ?
P3 F18 1.590(7) . ?
P3 F13 1.590(8) . ?
P3 F15 1.590(7) . ?
P4 F19' 1.47(2) . ?
P4 F21 1.544(14) . ?
P4 F22 1.548(9) . ?
P4 F23 1.581(7) . ?
P4 F21' 1.596(18) . ?
P4 F24 1.607(8) . ?
P4 F20 1.644(14) . ?
P4 F19 1.646(14) . ?
P4 F20' 1.67(2) . ?
C51 Cl2 1.731(14) . ?
C51 Cl1 1.749(14) . ?
C52 Cl3 1.68(2) . ?
C52 Cl4 1.78(2) . ?
C52' Cl3 1.86(6) . ?
C52' Cl4 1.93(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
N1 Ag1 N2 164.5(3) . . ?
N1 Ag1 S2 108.88(17) . . ?
N2 Ag1 S2 76.7(2) . . ?
N1 Ag1 S1 107.49(17) . . ?
N2 Ag1 S1 70.6(2) . . ?
S2 Ag1 S1 142.54(7) . . ?
S3 Ag2 S2 161.56(9) . . ?
N3 Ag3 N4 168.8(3) . . ?
N3 Ag3 S3 106.04(19) . . ?
N4 Ag3 S3 78.72(18) . . ?
S1 Ag4 S4 169.87(9) 1_465 . ?
C25 N1 C4 117.2(7) . . ?
C25 N1 Ag1 119.3(6) . . ?
C4 N1 Ag1 123.4(5) . . ?
C15 N2 C14 112.5(8) . . ?
C15 N2 Ag1 116.5(6) . . ?
C14 N2 Ag1 110.3(7) . . ?
C29 N3 C50 119.4(9) . . ?
C29 N3 Ag3 120.1(7) . . ?
C50 N3 Ag3 120.4(6) . . ?
C40 N4 C39 110.3(7) . . ?
C40 N4 Ag3 112.6(5) . . ?
C39 N4 Ag3 111.8(5) . . ?
C6 O1 C5 118.4(7) . . ?
C23 O2 C24 119.3(7) . . ?
C31 O3 C30 117.5(8) . . ?
C48 O4 C49 117.3(7) . . ?
C12 S1 C13 104.7(5) . . ?
C12 S1 Ag4 104.0(3) . 1_645 ?
C13 S1 Ag4 116.4(4) . 1_645 ?
C12 S1 Ag1 110.9(3) . . ?
C13 S1 Ag1 96.6(3) . . ?
Ag4 S1 Ag1 123.11(9) 1_645 . ?
C16 S2 C17 101.1(5) . . ?
C16 S2 Ag2 104.3(3) . . ?
C17 S2 Ag2 105.9(3) . . ?
C16 S2 Ag1 93.5(3) . . ?
C17 S2 Ag1 108.7(3) . . ?
Ag2 S2 Ag1 136.96(9) . . ?
C38 S3 C37 100.3(5) . . ?
C38 S3 Ag2 106.1(3) . . ?
C37 S3 Ag2 108.3(3) . . ?
C38 S3 Ag3 89.8(3) . . ?
C37 S3 Ag3 108.1(3) . . ?
Ag2 S3 Ag3 136.60(9) . . ?
C41 S4 C42 103.1(5) . . ?
C41 S4 Ag4 102.5(3) . . ?
C42 S4 Ag4 105.8(3) . . ?
C25 C1 C2 119.2(9) . . ?
C3 C2 C1 119.7(10) . . ?
C2 C3 C4 118.5(9) . . ?
N1 C4 C3 123.1(8) . . ?
N1 C4 C5 116.4(7) . . ?
C3 C4 C5 120.5(8) . . ?
O1 C5 C4 112.9(7) . . ?
O1 C6 C11 114.3(9) . . ?
O1 C6 C7 124.7(8) . . ?
C11 C6 C7 121.0(9) . . ?
C8 C7 C6 118.6(10) . . ?
C9 C8 C7 121.4(11) . . ?
C10 C9 C8 119.1(10) . . ?
C9 C10 C11 121.8(10) . . ?
C6 C11 C10 118.0(10) . . ?
C6 C11 C12 120.0(8) . . ?
C10 C11 C12 121.9(9) . . ?
C11 C12 S1 104.9(6) . . ?
C14 C13 S1 112.1(7) . . ?
N2 C14 C13 109.9(9) . . ?
N2 C15 C16 114.4(9) . . ?
C15 C16 S2 113.5(7) . . ?
C18 C17 S2 110.1(6) . . ?
C19 C18 C23 117.6(9) . . ?
C19 C18 C17 122.2(8) . . ?
C23 C18 C17 120.2(8) . . ?
C20 C19 C18 122.2(9) . . ?
C19 C20 C21 118.7(10) . . ?
C20 C21 C22 121.8(10) . . ?
C23 C22 C21 118.9(8) . . ?
C22 C23 O2 125.6(8) . . ?
C22 C23 C18 120.8(8) . . ?
O2 C23 C18 113.5(8) . . ?
O2 C24 C25 110.3(7) . . ?
N1 C25 C1 122.3(8) . . ?
N1 C25 C24 116.7(8) . . ?
C1 C25 C24 121.0(8) . . ?
C27 C26 C50 119.8(12) . . ?
C26 C27 C28 117.8(12) . . ?
C29 C28 C27 121.3(11) . . ?
N3 C29 C28 119.3(11) . . ?
N3 C29 C30 117.1(9) . . ?
C28 C29 C30 123.7(10) . . ?
O3 C30 C29 112.4(8) . . ?
C32 C31 O3 125.3(8) . . ?
C32 C31 C36 120.3(8) . . ?
O3 C31 C36 114.4(9) . . ?
C33 C32 C31 119.6(10) . . ?
C34 C33 C32 121.4(10) . . ?
C33 C34 C35 119.4(10) . . ?
C36 C35 C34 120.8(9) . . ?
C35 C36 C31 118.4(9) . . ?
C35 C36 C37 120.9(9) . . ?
C31 C36 C37 120.6(8) . . ?
C36 C37 S3 108.5(6) . . ?
C39 C38 S3 112.0(7) . . ?
N4 C39 C38 113.3(7) . . ?
N4 C40 C41 114.3(7) . . ?
C40 C41 S4 115.2(6) . . ?
C43 C42 S4 114.3(7) . . ?
C44 C43 C48 118.2(9) . . ?
C44 C43 C42 120.2(9) . . ?
C48 C43 C42 121.6(9) . . ?
C43 C44 C45 120.0(11) . . ?
C46 C45 C44 120.7(11) . . ?
C45 C46 C47 120.9(11) . . ?
C48 C47 C46 117.9(11) . . ?
O4 C48 C47 123.5(9) . . ?
O4 C48 C43 114.3(8) . . ?
C47 C48 C43 122.2(9) . . ?
O4 C49 C50 107.1(8) . . ?
N3 C50 C26 122.5(11) . . ?
N3 C50 C49 117.0(9) . . ?
C26 C50 C49 120.5(10) . . ?
F4' P1 F2 120.3(12) . . ?
F4' P1 F3 142.0(13) . . ?
F2 P1 F3 97.1(9) . . ?
F4' P1 F3' 89.7(12) . . ?
F2 P1 F3' 149.9(10) . . ?
F3 P1 F3' 53.3(9) . . ?
F4' P1 F2' 174.0(13) . . ?
F2 P1 F2' 53.8(8) . . ?
F3 P1 F2' 43.7(8) . . ?
F3' P1 F2' 96.2(10) . . ?
F4' P1 F5 93.1(10) . . ?
F2 P1 F5 90.6(6) . . ?
F3 P1 F5 93.0(7) . . ?
F3' P1 F5 86.1(7) . . ?
F2' P1 F5 87.9(7) . . ?
F4' P1 F6 86.4(10) . . ?
F2 P1 F6 91.2(6) . . ?
F3 P1 F6 86.4(7) . . ?
F3' P1 F6 92.2(8) . . ?
F2' P1 F6 92.8(7) . . ?
F5 P1 F6 178.2(5) . . ?
F4' P1 F1 29.5(10) . . ?
F2 P1 F1 91.9(9) . . ?
F3 P1 F1 170.9(10) . . ?
F3' P1 F1 117.6(10) . . ?
F2' P1 F1 145.0(10) . . ?
F5 P1 F1 85.5(6) . . ?
F6 P1 F1 94.8(7) . . ?
F4' P1 F4 55.0(11) . . ?
F2 P1 F4 175.3(8) . . ?
F3 P1 F4 87.4(8) . . ?
F3' P1 F4 34.8(7) . . ?
F2' P1 F4 130.9(8) . . ?
F5 P1 F4 90.5(5) . . ?
F6 P1 F4 87.8(5) . . ?
F1 P1 F4 83.6(8) . . ?
F4' P1 F1' 89.3(12) . . ?
F2 P1 F1' 31.0(6) . . ?
F3 P1 F1' 127.9(9) . . ?
F3' P1 F1' 178.0(9) . . ?
F2' P1 F1' 84.8(8) . . ?
F5 P1 F1' 92.2(5) . . ?
F6 P1 F1' 89.5(6) . . ?
F1 P1 F1' 61.2(8) . . ?
F4 P1 F1' 144.3(7) . . ?
F12 P2 F7 89.9(6) . . ?
F12 P2 F10 89.0(6) . . ?
F7 P2 F10 92.6(6) . . ?
F12 P2 F8 91.7(5) . . ?
F7 P2 F8 88.1(5) . . ?
F10 P2 F8 179.0(6) . . ?
F12 P2 F9 93.1(5) . . ?
F7 P2 F9 176.9(6) . . ?
F10 P2 F9 86.8(6) . . ?
F8 P2 F9 92.5(5) . . ?
F12 P2 F11 178.6(7) . . ?
F7 P2 F11 90.1(6) . . ?
F10 P2 F11 92.4(7) . . ?
F8 P2 F11 86.9(6) . . ?
F9 P2 F11 86.9(6) . . ?
F14 P3 F16 179.5(5) . . ?
F14 P3 F17 89.4(4) . . ?
F16 P3 F17 90.1(3) . . ?
F14 P3 F18 90.5(4) . . ?
F16 P3 F18 90.0(4) . . ?
F17 P3 F18 179.9(5) . . ?
F14 P3 F13 91.3(5) . . ?
F16 P3 F13 88.9(4) . . ?
F17 P3 F13 90.7(4) . . ?
F18 P3 F13 89.5(4) . . ?
F14 P3 F15 90.6(4) . . ?
F16 P3 F15 89.2(4) . . ?
F17 P3 F15 89.7(3) . . ?
F18 P3 F15 90.2(4) . . ?
F13 P3 F15 178.1(4) . . ?
F19' P4 F21 149.1(11) . . ?
F19' P4 F22 106.9(11) . . ?
F21 P4 F22 102.5(8) . . ?
F19' P4 F23 99.1(9) . . ?
F21 P4 F23 89.5(6) . . ?
F22 P4 F23 91.6(4) . . ?
F19' P4 F21' 92.6(11) . . ?
F21 P4 F21' 57.5(9) . . ?
F22 P4 F21' 160.0(9) . . ?
F23 P4 F21' 89.9(7) . . ?
F19' P4 F24 81.6(9) . . ?
F21 P4 F24 89.2(6) . . ?
F22 P4 F24 89.6(5) . . ?
F23 P4 F24 178.4(4) . . ?
F21' P4 F24 88.6(7) . . ?
F19' P4 F20 63.6(10) . . ?
F21 P4 F20 87.2(8) . . ?
F22 P4 F20 170.2(7) . . ?
F23 P4 F20 87.8(5) . . ?
F21' P4 F20 29.8(7) . . ?
F24 P4 F20 91.2(6) . . ?
F19' P4 F19 26.3(9) . . ?
F21 P4 F19 172.5(8) . . ?
F22 P4 F19 84.1(7) . . ?
F23 P4 F19 86.9(5) . . ?
F21' P4 F19 115.9(9) . . ?
F24 P4 F19 94.3(6) . . ?
F20 P4 F19 86.1(7) . . ?
F19' P4 F20' 170.2(11) . . ?
F21 P4 F20' 31.2(7) . . ?
F22 P4 F20' 71.3(9) . . ?
F23 P4 F20' 90.7(7) . . ?
F21' P4 F20' 88.7(10) . . ?
F24 P4 F20' 88.7(7) . . ?
F20 P4 F20' 118.5(9) . . ?
F19 P4 F20' 155.2(10) . . ?
Cl2 C51 Cl1 111.1(8) . . ?
Cl3 C52 Cl4 112.6(12) . . ?
Cl3 C52' Cl4 99(3) . . ?
C52 Cl3 C52' 47.2(19) . . ?
C52 Cl4 C52' 45.0(18) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.712
_refine_diff_density_min         -2.410
_refine_diff_density_rms         0.173
