# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1404797'
_audit_update_record             
;
2015-06-03 deposited with the CCDC.
2015-10-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013

#Refcode: AgPOP1

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H36 Ag N2 O P2, B F4, 2(C H Cl3)'
_chemical_formula_sum            'C48 H38 Ag B Cl6 F4 N2 O P2'
_chemical_formula_weight         1128.12

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

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   9.5560(7)
_cell_length_b                   13.9607(10)
_cell_length_c                   19.4900(14)
_cell_angle_alpha                109.126(6)
_cell_angle_beta                 91.419(5)
_cell_angle_gamma                95.515(5)
_cell_volume                     2440.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    37672
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Block
_exptl_crystal_colour            Colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_F_000             1136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.861
_shelx_estimated_absorpt_T_min   0.860
_shelx_estimated_absorpt_T_max   0.934
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.610
_exptl_absorpt_process_details   
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source                   'Rotating Anode'

_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_collimation    'Confocal mirrors, HF Varimax '

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714

_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'
_diffrn_reflns_number            38260
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.933
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             11101
_reflns_number_gt                9939
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_computing_cell_refinement       
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_computing_data_reduction        
;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_computing_structure_solution    'SUPERFLIP (Palatinus & Chapuis, 2007'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WINGX (Farrugia, 1998)'

_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)+(0.0875P)²+1.2075P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11101
_refine_ls_number_parameters     586
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0503
_refine_ls_wR_factor_ref         0.1388
_refine_ls_wR_factor_gt          0.1334
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.04547(2) 0.68756(2) 0.31057(2) 0.02362(8) Uani 1 1 d . . . . .
C1 C 0.3420(3) 0.54587(19) 0.33566(15) 0.0243(5) Uani 1 1 d . . . . .
C2 C 0.2939(3) 0.4689(2) 0.27107(15) 0.0255(5) Uani 1 1 d . . . . .
C3 C 0.3287(3) 0.3694(2) 0.25542(17) 0.0303(6) Uani 1 1 d . . . . .
H3 H 0.2917 0.3174 0.2119 0.036 Uiso 1 1 calc R U . . .
C4 C 0.4181(3) 0.3473(2) 0.30425(17) 0.0327(6) Uani 1 1 d . . . . .
H4 H 0.4433 0.2801 0.2938 0.039 Uiso 1 1 calc R U . . .
C5 C 0.4708(3) 0.4232(2) 0.36826(17) 0.0325(6) Uani 1 1 d . . . . .
H5 H 0.5331 0.4081 0.4011 0.039 Uiso 1 1 calc R U . . .
C6 C 0.4319(3) 0.5211(2) 0.38400(16) 0.0292(6) Uani 1 1 d . . . . .
H6 H 0.4667 0.5723 0.4283 0.035 Uiso 1 1 calc R U . . .
C7 C 0.1783(3) 0.5842(2) 0.14213(14) 0.0245(5) Uani 1 1 d . . . . .
C8 C 0.2636(3) 0.5295(2) 0.17113(14) 0.0255(5) Uani 1 1 d . . . . .
C9 C 0.3997(3) 0.5151(2) 0.14926(15) 0.0293(6) Uani 1 1 d . . . . .
H9 H 0.4567 0.4776 0.1694 0.035 Uiso 1 1 calc R U . . .
C10 C 0.4511(3) 0.5560(2) 0.09807(17) 0.0346(6) Uani 1 1 d . . . . .
H10 H 0.5441 0.5465 0.0831 0.042 Uiso 1 1 calc R U . . .
C11 C 0.3689(3) 0.6106(2) 0.06833(16) 0.0341(6) Uani 1 1 d . . . . .
H11 H 0.4052 0.6384 0.0331 0.041 Uiso 1 1 calc R U . . .
C12 C 0.2334(3) 0.6244(2) 0.09039(15) 0.0298(6) Uani 1 1 d . . . . .
H12 H 0.1770 0.6619 0.0700 0.036 Uiso 1 1 calc R U . . .
C13 C 0.3238(3) 0.7305(2) 0.45276(15) 0.0270(5) Uani 1 1 d . . . . .
C14 C 0.2235(3) 0.7060(2) 0.49678(15) 0.0292(6) Uani 1 1 d . . . . .
H14 H 0.1406 0.6621 0.4750 0.035 Uiso 1 1 calc R U . . .
C15 C 0.2435(3) 0.7454(2) 0.57277(16) 0.0340(6) Uani 1 1 d . . . . .
H15 H 0.1754 0.7272 0.6024 0.041 Uiso 1 1 calc R U . . .
C16 C 0.3628(3) 0.8108(3) 0.60436(17) 0.0381(7) Uani 1 1 d . . . . .
H16 H 0.3772 0.8377 0.6558 0.046 Uiso 1 1 calc R U . . .
C17 C 0.4616(3) 0.8370(3) 0.56073(18) 0.0430(8) Uani 1 1 d . . . . .
H17 H 0.5428 0.8828 0.5826 0.052 Uiso 1 1 calc R U . . .
C18 C 0.4428(3) 0.7967(2) 0.48510(17) 0.0356(7) Uani 1 1 d . . . . .
H18 H 0.5115 0.8145 0.4557 0.043 Uiso 1 1 calc R U . . .
C19 C 0.4251(3) 0.7377(2) 0.31538(15) 0.0262(5) Uani 1 1 d . . . . .
C20 C 0.3943(3) 0.8238(2) 0.29920(18) 0.0357(7) Uani 1 1 d . . . . .
H20 H 0.3045 0.8474 0.3087 0.043 Uiso 1 1 calc R U . . .
C21 C 0.4938(4) 0.8753(3) 0.2692(2) 0.0420(7) Uani 1 1 d . . . . .
H21 H 0.4724 0.9346 0.2591 0.050 Uiso 1 1 calc R U . . .
C22 C 0.6240(3) 0.8402(2) 0.25423(18) 0.0365(7) Uani 1 1 d . . . . .
H22 H 0.6913 0.8745 0.2328 0.044 Uiso 1 1 calc R U . . .
C23 C 0.6563(3) 0.7550(2) 0.27041(16) 0.0308(6) Uani 1 1 d . . . . .
H23 H 0.7459 0.7312 0.2603 0.037 Uiso 1 1 calc R U . . .
C24 C 0.5578(3) 0.7044(2) 0.30149(15) 0.0286(6) Uani 1 1 d . . . . .
H24 H 0.5809 0.6467 0.3133 0.034 Uiso 1 1 calc R U . . .
C25 C -0.0983(3) 0.4858(2) 0.14866(14) 0.0246(5) Uani 1 1 d . . . . .
C26 C -0.0639(3) 0.4062(2) 0.08868(15) 0.0276(5) Uani 1 1 d . . . . .
H26 H 0.0170 0.4156 0.0633 0.033 Uiso 1 1 calc R U . . .
C27 C -0.1481(3) 0.3131(2) 0.06600(16) 0.0327(6) Uani 1 1 d . . . . .
H27 H -0.1241 0.2591 0.0253 0.039 Uiso 1 1 calc R U . . .
C28 C -0.2667(3) 0.2988(2) 0.10251(18) 0.0342(6) Uani 1 1 d . . . . .
H28 H -0.3245 0.2354 0.0864 0.041 Uiso 1 1 calc R U . . .
C29 C -0.3010(3) 0.3772(2) 0.16242(19) 0.0361(7) Uani 1 1 d . . . . .
H29 H -0.3819 0.3670 0.1876 0.043 Uiso 1 1 calc R U . . .
C30 C -0.2173(3) 0.4714(2) 0.18617(17) 0.0302(6) Uani 1 1 d . . . . .
H30 H -0.2410 0.5250 0.2273 0.036 Uiso 1 1 calc R U . . .
C31 C -0.0672(3) 0.6811(2) 0.12711(14) 0.0240(5) Uani 1 1 d . . . . .
C32 C -0.1682(3) 0.6372(2) 0.06962(15) 0.0269(5) Uani 1 1 d . . . . .
H32 H -0.1984 0.5663 0.0552 0.032 Uiso 1 1 calc R U . . .
C33 C -0.2253(3) 0.6965(2) 0.03313(16) 0.0328(6) Uani 1 1 d . . . . .
H33 H -0.2947 0.6660 -0.0057 0.039 Uiso 1 1 calc R U . . .
C34 C -0.1807(3) 0.8008(2) 0.05349(17) 0.0343(6) Uani 1 1 d . . . . .
H34 H -0.2195 0.8414 0.0287 0.041 Uiso 1 1 calc R U . . .
C35 C -0.0788(3) 0.8447(2) 0.11038(17) 0.0345(6) Uani 1 1 d . . . . .
H35 H -0.0469 0.9153 0.1238 0.041 Uiso 1 1 calc R U . . .
C36 C -0.0238(3) 0.7865(2) 0.14735(16) 0.0309(6) Uani 1 1 d . . . . .
H36 H 0.0439 0.8178 0.1868 0.037 Uiso 1 1 calc R U . . .
O1 O 0.20357(19) 0.48998(14) 0.22183(10) 0.0255(4) Uani 1 1 d . . . . .
P1 P 0.28834(7) 0.67443(5) 0.35423(4) 0.02346(15) Uani 1 1 d . . . . .
P2 P 0.00698(7) 0.60968(5) 0.17986(4) 0.02252(14) Uani 1 1 d . . . . .
C41 C -0.0287(3) 0.9239(2) 0.35762(15) 0.0270(5) Uani 1 1 d . . . . .
H41 H 0.0265 0.9248 0.3179 0.032 Uiso 1 1 calc R U . . .
C42 C -0.0911(3) 1.0108(2) 0.39440(16) 0.0310(6) Uani 1 1 d . . . . .
H42 H -0.0791 1.0696 0.3799 0.037 Uiso 1 1 calc R U . . .
C43 C -0.1711(3) 1.0100(2) 0.45253(16) 0.0319(6) Uani 1 1 d . . . . .
H43 H -0.2143 1.0685 0.4790 0.038 Uiso 1 1 calc R U . . .
C44 C -0.1870(3) 0.9222(2) 0.47151(16) 0.0288(6) Uani 1 1 d . . . . .
H44 H -0.2414 0.9199 0.5112 0.035 Uiso 1 1 calc R U . . .
C45 C -0.1222(3) 0.8372(2) 0.43180(14) 0.0243(5) Uani 1 1 d . . . . .
C46 C -0.1394(3) 0.7399(2) 0.44827(14) 0.0241(5) Uani 1 1 d . . . . .
C47 C -0.1748(3) 0.7387(2) 0.51697(16) 0.0310(6) Uani 1 1 d . . . . .
H47 H -0.1883 0.8002 0.5544 0.037 Uiso 1 1 calc R U . . .
C48 C -0.1900(3) 0.6458(2) 0.52982(17) 0.0363(7) Uani 1 1 d . . . . .
H48 H -0.2126 0.6431 0.5764 0.044 Uiso 1 1 calc R U . . .
C49 C -0.1717(3) 0.5575(2) 0.47363(18) 0.0355(6) Uani 1 1 d . . . . .
H49 H -0.1844 0.4929 0.4804 0.043 Uiso 1 1 calc R U . . .
C50 C -0.1343(3) 0.5656(2) 0.40725(17) 0.0329(6) Uani 1 1 d . . . . .
H50 H -0.1208 0.5049 0.3689 0.039 Uiso 1 1 calc R U . . .
N41 N -0.0429(2) 0.83872(16) 0.37571(12) 0.0239(4) Uani 1 1 d . . . . .
N42 N -0.1160(2) 0.65477(17) 0.39430(12) 0.0259(5) Uani 1 1 d . . . . .
B1 B 0.2415(3) 0.0770(2) 0.29064(17) 0.0280(6) Uani 1 1 d . . . . .
F1 F 0.37212(18) 0.09205(13) 0.26408(9) 0.0337(4) Uani 1 1 d . . . . .
F2 F 0.15071(19) 0.00742(13) 0.23509(9) 0.0351(4) Uani 1 1 d . . . . .
F3 F 0.18304(19) 0.16975(13) 0.31561(9) 0.0358(4) Uani 1 1 d . . . . .
F4 F 0.25464(17) 0.03883(13) 0.34823(9) 0.0320(4) Uani 1 1 d . . . . .
C61 C 0.3285(3) 0.0078(2) 0.09283(17) 0.0352(6) Uani 1 1 d . . . . .
H61 H 0.2696 0.0133 0.1354 0.042 Uiso 1 1 calc R U . . .
Cl61 Cl 0.41593(10) 0.12955(7) 0.10355(5) 0.0505(2) Uani 1 1 d . . . . .
Cl62 Cl 0.21670(9) -0.03513(6) 0.01282(4) 0.03881(18) Uani 1 1 d . . . . .
Cl63 Cl 0.45124(14) -0.07905(9) 0.09043(6) 0.0701(3) Uani 1 1 d . . . . .
C71 C 0.9386(3) 0.1715(2) 0.21723(17) 0.0358(6) Uani 1 1 d . . . . .
H71 H 0.9876 0.1393 0.2486 0.043 Uiso 1 1 calc R U . . .
Cl71 Cl 0.76208(9) 0.11593(7) 0.19960(5) 0.0473(2) Uani 1 1 d . . . . .
Cl72 Cl 0.94905(9) 0.30384(6) 0.26391(5) 0.0447(2) Uani 1 1 d . . . . .
Cl73 Cl 1.02526(8) 0.14780(6) 0.13506(4) 0.04034(18) 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 N41 2.328(2) . ?
Ag1 N42 2.394(2) . ?
Ag1 P2 2.4227(7) . ?
Ag1 P1 2.4961(7) . ?
C1 C2 1.393(4) . ?
C1 C6 1.405(4) . ?
C1 P1 1.837(3) . ?
C2 C3 1.395(4) . ?
C2 O1 1.395(3) . ?
C3 C4 1.390(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.395(4) . ?
C7 C12 1.397(4) . ?
C7 P2 1.830(3) . ?
C8 O1 1.390(3) . ?
C8 C9 1.391(4) . ?
C9 C10 1.380(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.387(4) . ?
C13 C14 1.393(4) . ?
C13 P1 1.830(3) . ?
C14 C15 1.401(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.395(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.393(4) . ?
C19 C24 1.394(4) . ?
C19 P1 1.824(3) . ?
C20 C21 1.391(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.395(4) . ?
C25 C30 1.400(4) . ?
C25 P2 1.822(3) . ?
C26 C27 1.392(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.403(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.395(4) . ?
C31 C36 1.410(4) . ?
C31 P2 1.823(3) . ?
C32 C33 1.394(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.397(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.393(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.379(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 N41 1.343(3) . ?
C41 C42 1.390(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.385(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.388(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.398(4) . ?
C44 H44 0.9500 . ?
C45 N41 1.351(3) . ?
C45 C46 1.489(4) . ?
C46 N42 1.346(3) . ?
C46 C47 1.394(4) . ?
C47 C48 1.395(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.384(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.387(4) . ?
C49 H49 0.9500 . ?
C50 N42 1.346(4) . ?
C50 H50 0.9500 . ?
B1 F1 1.386(4) . ?
B1 F4 1.399(4) . ?
B1 F3 1.401(4) . ?
B1 F2 1.404(3) . ?
C61 Cl63 1.757(3) . ?
C61 Cl62 1.765(3) . ?
C61 Cl61 1.766(3) . ?
C61 H61 1.0000 . ?
C71 Cl72 1.763(3) . ?
C71 Cl71 1.764(3) . ?
C71 Cl73 1.769(3) . ?
C71 H71 1.0000 . ?

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
N41 Ag1 N42 70.84(8) . . ?
N41 Ag1 P2 122.86(6) . . ?
N42 Ag1 P2 122.93(6) . . ?
N41 Ag1 P1 113.52(6) . . ?
N42 Ag1 P1 108.23(6) . . ?
P2 Ag1 P1 112.17(2) . . ?
C2 C1 C6 117.7(2) . . ?
C2 C1 P1 119.7(2) . . ?
C6 C1 P1 122.7(2) . . ?
C1 C2 C3 121.8(3) . . ?
C1 C2 O1 119.5(2) . . ?
C3 C2 O1 118.7(2) . . ?
C4 C3 C2 119.2(3) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C6 C5 C4 119.7(3) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 121.3(3) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 H6 119.4 . . ?
C8 C7 C12 118.1(2) . . ?
C8 C7 P2 118.4(2) . . ?
C12 C7 P2 123.2(2) . . ?
O1 C8 C9 122.8(2) . . ?
O1 C8 C7 116.0(2) . . ?
C9 C8 C7 121.1(3) . . ?
C10 C9 C8 119.3(3) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 120.8(3) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C10 C11 C12 119.4(3) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C7 121.1(3) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C18 C13 C14 119.1(3) . . ?
C18 C13 P1 123.5(2) . . ?
C14 C13 P1 117.4(2) . . ?
C13 C14 C15 120.8(3) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 119.8(3) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 120.6(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C13 C18 C17 120.1(3) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C24 119.0(3) . . ?
C20 C19 P1 117.7(2) . . ?
C24 C19 P1 123.3(2) . . ?
C21 C20 C19 120.6(3) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.1(3) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 120.4(3) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
C26 C25 C30 119.8(2) . . ?
C26 C25 P2 121.8(2) . . ?
C30 C25 P2 118.4(2) . . ?
C27 C26 C25 120.1(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.5(3) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C25 C30 C29 119.3(3) . . ?
C25 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C32 C31 C36 118.6(3) . . ?
C32 C31 P2 123.2(2) . . ?
C36 C31 P2 118.2(2) . . ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 120.1(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C35 C34 C33 119.4(3) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C36 C35 C34 120.6(3) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C31 120.6(3) . . ?
C35 C36 H36 119.7 . . ?
C31 C36 H36 119.7 . . ?
C8 O1 C2 117.9(2) . . ?
C19 P1 C13 105.00(12) . . ?
C19 P1 C1 103.42(12) . . ?
C13 P1 C1 102.14(12) . . ?
C19 P1 Ag1 112.98(9) . . ?
C13 P1 Ag1 114.40(9) . . ?
C1 P1 Ag1 117.39(9) . . ?
C25 P2 C31 104.43(12) . . ?
C25 P2 C7 104.36(12) . . ?
C31 P2 C7 103.74(12) . . ?
C25 P2 Ag1 115.55(9) . . ?
C31 P2 Ag1 119.41(9) . . ?
C7 P2 Ag1 107.78(8) . . ?
N41 C41 C42 122.9(3) . . ?
N41 C41 H41 118.5 . . ?
C42 C41 H41 118.5 . . ?
C43 C42 C41 118.7(3) . . ?
C43 C42 H42 120.6 . . ?
C41 C42 H42 120.6 . . ?
C42 C43 C44 118.8(3) . . ?
C42 C43 H43 120.6 . . ?
C44 C43 H43 120.6 . . ?
C43 C44 C45 119.5(3) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
N41 C45 C44 121.5(2) . . ?
N41 C45 C46 116.7(2) . . ?
C44 C45 C46 121.8(2) . . ?
N42 C46 C47 122.3(3) . . ?
N42 C46 C45 116.7(2) . . ?
C47 C46 C45 121.0(2) . . ?
C46 C47 C48 119.0(3) . . ?
C46 C47 H47 120.5 . . ?
C48 C47 H47 120.5 . . ?
C49 C48 C47 118.9(3) . . ?
C49 C48 H48 120.5 . . ?
C47 C48 H48 120.5 . . ?
C48 C49 C50 118.5(3) . . ?
C48 C49 H49 120.8 . . ?
C50 C49 H49 120.8 . . ?
N42 C50 C49 123.4(3) . . ?
N42 C50 H50 118.3 . . ?
C49 C50 H50 118.3 . . ?
C41 N41 C45 118.5(2) . . ?
C41 N41 Ag1 124.14(18) . . ?
C45 N41 Ag1 117.14(17) . . ?
C50 N42 C46 117.8(2) . . ?
C50 N42 Ag1 123.51(19) . . ?
C46 N42 Ag1 112.89(17) . . ?
F1 B1 F4 110.4(2) . . ?
F1 B1 F3 109.8(2) . . ?
F4 B1 F3 108.9(2) . . ?
F1 B1 F2 109.8(2) . . ?
F4 B1 F2 109.1(2) . . ?
F3 B1 F2 108.8(2) . . ?
Cl63 C61 Cl62 110.68(17) . . ?
Cl63 C61 Cl61 110.37(18) . . ?
Cl62 C61 Cl61 110.03(17) . . ?
Cl63 C61 H61 108.6 . . ?
Cl62 C61 H61 108.6 . . ?
Cl61 C61 H61 108.6 . . ?
Cl72 C71 Cl71 111.28(17) . . ?
Cl72 C71 Cl73 110.18(18) . . ?
Cl71 C71 Cl73 110.36(17) . . ?
Cl72 C71 H71 108.3 . . ?
Cl71 C71 H71 108.3 . . ?
Cl73 C71 H71 108.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 2.3(4) . . . . ?
P1 C1 C2 C3 -178.2(2) . . . . ?
C6 C1 C2 O1 179.5(2) . . . . ?
P1 C1 C2 O1 -1.1(3) . . . . ?
C1 C2 C3 C4 -2.5(4) . . . . ?
O1 C2 C3 C4 -179.7(2) . . . . ?
C2 C3 C4 C5 0.8(4) . . . . ?
C3 C4 C5 C6 1.1(4) . . . . ?
C4 C5 C6 C1 -1.3(4) . . . . ?
C2 C1 C6 C5 -0.4(4) . . . . ?
P1 C1 C6 C5 -179.8(2) . . . . ?
C12 C7 C8 O1 -179.3(2) . . . . ?
P2 C7 C8 O1 6.3(3) . . . . ?
C12 C7 C8 C9 -0.1(4) . . . . ?
P2 C7 C8 C9 -174.4(2) . . . . ?
O1 C8 C9 C10 179.3(2) . . . . ?
C7 C8 C9 C10 0.1(4) . . . . ?
C8 C9 C10 C11 -0.1(4) . . . . ?
C9 C10 C11 C12 0.0(4) . . . . ?
C10 C11 C12 C7 0.0(4) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
P2 C7 C12 C11 174.0(2) . . . . ?
C18 C13 C14 C15 -1.5(4) . . . . ?
P1 C13 C14 C15 179.5(2) . . . . ?
C13 C14 C15 C16 1.2(4) . . . . ?
C14 C15 C16 C17 0.1(5) . . . . ?
C15 C16 C17 C18 -1.0(5) . . . . ?
C14 C13 C18 C17 0.6(5) . . . . ?
P1 C13 C18 C17 179.4(2) . . . . ?
C16 C17 C18 C13 0.7(5) . . . . ?
C24 C19 C20 C21 0.4(5) . . . . ?
P1 C19 C20 C21 -179.8(3) . . . . ?
C19 C20 C21 C22 1.0(5) . . . . ?
C20 C21 C22 C23 -1.3(5) . . . . ?
C21 C22 C23 C24 0.3(5) . . . . ?
C22 C23 C24 C19 1.1(4) . . . . ?
C20 C19 C24 C23 -1.5(4) . . . . ?
P1 C19 C24 C23 178.7(2) . . . . ?
C30 C25 C26 C27 0.3(4) . . . . ?
P2 C25 C26 C27 -179.2(2) . . . . ?
C25 C26 C27 C28 0.3(4) . . . . ?
C26 C27 C28 C29 -0.7(5) . . . . ?
C27 C28 C29 C30 0.6(5) . . . . ?
C26 C25 C30 C29 -0.5(4) . . . . ?
P2 C25 C30 C29 179.0(2) . . . . ?
C28 C29 C30 C25 0.0(4) . . . . ?
C36 C31 C32 C33 -0.2(4) . . . . ?
P2 C31 C32 C33 177.4(2) . . . . ?
C31 C32 C33 C34 0.6(4) . . . . ?
C32 C33 C34 C35 0.1(5) . . . . ?
C33 C34 C35 C36 -1.1(5) . . . . ?
C34 C35 C36 C31 1.6(5) . . . . ?
C32 C31 C36 C35 -0.9(4) . . . . ?
P2 C31 C36 C35 -178.6(2) . . . . ?
C9 C8 O1 C2 23.9(3) . . . . ?
C7 C8 O1 C2 -156.8(2) . . . . ?
C1 C2 O1 C8 86.6(3) . . . . ?
C3 C2 O1 C8 -96.2(3) . . . . ?
C20 C19 P1 C13 -93.5(2) . . . . ?
C24 C19 P1 C13 86.3(2) . . . . ?
C20 C19 P1 C1 159.8(2) . . . . ?
C24 C19 P1 C1 -20.4(3) . . . . ?
C20 C19 P1 Ag1 31.8(3) . . . . ?
C24 C19 P1 Ag1 -148.3(2) . . . . ?
C18 C13 P1 C19 -7.3(3) . . . . ?
C14 C13 P1 C19 171.5(2) . . . . ?
C18 C13 P1 C1 100.3(3) . . . . ?
C14 C13 P1 C1 -80.8(2) . . . . ?
C18 C13 P1 Ag1 -131.8(2) . . . . ?
C14 C13 P1 Ag1 47.1(2) . . . . ?
C2 C1 P1 C19 -90.0(2) . . . . ?
C6 C1 P1 C19 89.4(2) . . . . ?
C2 C1 P1 C13 161.1(2) . . . . ?
C6 C1 P1 C13 -19.5(3) . . . . ?
C2 C1 P1 Ag1 35.1(2) . . . . ?
C6 C1 P1 Ag1 -145.46(19) . . . . ?
C26 C25 P2 C31 87.7(2) . . . . ?
C30 C25 P2 C31 -91.8(2) . . . . ?
C26 C25 P2 C7 -20.9(3) . . . . ?
C30 C25 P2 C7 159.6(2) . . . . ?
C26 C25 P2 Ag1 -139.1(2) . . . . ?
C30 C25 P2 Ag1 41.4(2) . . . . ?
C32 C31 P2 C25 -8.1(3) . . . . ?
C36 C31 P2 C25 169.5(2) . . . . ?
C32 C31 P2 C7 101.0(2) . . . . ?
C36 C31 P2 C7 -81.5(2) . . . . ?
C32 C31 P2 Ag1 -139.1(2) . . . . ?
C36 C31 P2 Ag1 38.4(2) . . . . ?
C8 C7 P2 C25 -70.8(2) . . . . ?
C12 C7 P2 C25 115.2(2) . . . . ?
C8 C7 P2 C31 -179.9(2) . . . . ?
C12 C7 P2 C31 6.1(2) . . . . ?
C8 C7 P2 Ag1 52.6(2) . . . . ?
C12 C7 P2 Ag1 -121.5(2) . . . . ?
N41 C41 C42 C43 0.3(4) . . . . ?
C41 C42 C43 C44 -0.6(4) . . . . ?
C42 C43 C44 C45 0.0(4) . . . . ?
C43 C44 C45 N41 0.8(4) . . . . ?
C43 C44 C45 C46 -178.1(3) . . . . ?
N41 C45 C46 N42 -21.0(3) . . . . ?
C44 C45 C46 N42 157.9(3) . . . . ?
N41 C45 C46 C47 157.6(3) . . . . ?
C44 C45 C46 C47 -23.5(4) . . . . ?
N42 C46 C47 C48 -1.6(4) . . . . ?
C45 C46 C47 C48 179.8(3) . . . . ?
C46 C47 C48 C49 -1.0(5) . . . . ?
C47 C48 C49 C50 2.1(5) . . . . ?
C48 C49 C50 N42 -0.6(5) . . . . ?
C42 C41 N41 C45 0.5(4) . . . . ?
C42 C41 N41 Ag1 175.2(2) . . . . ?
C44 C45 N41 C41 -1.1(4) . . . . ?
C46 C45 N41 C41 177.9(2) . . . . ?
C44 C45 N41 Ag1 -176.1(2) . . . . ?
C46 C45 N41 Ag1 2.8(3) . . . . ?
C49 C50 N42 C46 -1.9(4) . . . . ?
C49 C50 N42 Ag1 149.4(2) . . . . ?
C47 C46 N42 C50 3.0(4) . . . . ?
C45 C46 N42 C50 -178.4(2) . . . . ?
C47 C46 N42 Ag1 -151.2(2) . . . . ?
C45 C46 N42 Ag1 27.4(3) . . . . ?

_refine_diff_density_max         1.927
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.120

_shelxl_version_number           2013-4

