# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

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

data_AgPF6_-BTII
_database_code_depnum_ccdc_archive 'CCDC 2097321'
loop_
_audit_author_name
_audit_author_address
'Dongwon Kim'
;Pusan National University
South Korea
;
_audit_update_record             
;
2022-03-24 deposited with the CCDC.	2022-03-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H42 Ag N6 O9, F6 P, 3(C4 H8 O2), O'
_chemical_formula_sum            'C66 H67 Ag F6 N6 O15.50 P'
_chemical_formula_weight         1445.09

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 0.0064 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0174 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1015 0.0932 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9157 1.0899 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   10.275(2)
_cell_length_b                   12.274(3)
_cell_length_c                   14.766(3)
_cell_angle_alpha                68.10(3)
_cell_angle_beta                 73.46(3)
_cell_angle_gamma                88.06(3)
_cell_volume                     1650.8(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    58499
_cell_measurement_theta_min      0.401
_cell_measurement_theta_max      33.749

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_F_000             745
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.055
_exptl_absorpt_coefficient_mu    0.396
_shelx_estimated_absorpt_T_min   0.947
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            54433
_diffrn_reflns_av_unetI/netI     0.0696
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.531
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        24.835
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16199
_reflns_number_gt                9875
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.967
_reflns_Friedel_fraction_max     0.954
_reflns_Friedel_fraction_full    0.999

_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       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Mercury 4.2.0'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_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)+(0.1206P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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_abs_structure_details 
;
 Flack x determined using 3934 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.015(10)
_chemical_absolute_configuration .
_refine_ls_number_reflns         16199
_refine_ls_number_parameters     865
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0632
_refine_ls_wR_factor_ref         0.1829
_refine_ls_wR_factor_gt          0.1625
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_restrained_S_all      0.920
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.28632(3) 0.72739(3) 0.85457(3) 0.0735(2) Uani 1 1 d . . . . .
N2 N 0.3356(7) 0.2276(5) 0.8110(5) 0.0611(15) Uani 1 1 d . . . . .
H2 H 0.317648 0.297388 0.810816 0.073 Uiso 1 1 calc R U . . .
N3 N 0.2679(6) 0.7144(5) 0.4798(4) 0.0541(13) Uani 1 1 d . . . . .
H3 H 0.352689 0.730205 0.442820 0.065 Uiso 1 1 calc R U . . .
O3 O 0.4137(7) 0.1199(4) 0.7156(5) 0.0738(15) Uani 1 1 d . . . . .
N4 N 0.5526(7) 0.7371(6) -0.0018(5) 0.0655(16) Uani 1 1 d . . . . .
O2 O 0.1190(6) 0.2409(5) 0.9512(5) 0.087(2) Uani 1 1 d . . . . .
C2 C -0.0135(8) 0.4329(7) 0.8696(6) 0.0667(19) Uani 1 1 d . . . . .
H2A H 0.069953 0.422434 0.827667 0.080 Uiso 1 1 calc R U . . .
F2 F 0.3810(16) 0.7028(9) 0.7968(9) 0.169(5) Uani 1 1 d . . . . .
C3 C -0.0726(7) 0.3490(6) 0.9635(6) 0.0569(16) Uani 1 1 d . . . . .
F3 F 0.4759(13) 0.5564(10) 0.8917(9) 0.169(4) Uani 1 1 d . . . . .
P1 P 0.4125(3) 0.5724(2) 0.8067(2) 0.0799(6) Uani 1 1 d . . . . .
F1 F 0.3452(18) 0.6040(10) 0.7183(10) 0.196(6) Uani 1 1 d . . . . .
O1 O -0.0562(6) 0.1631(6) 1.0908(6) 0.090(2) Uani 1 1 d . . . . .
C1 C -0.0796(8) 0.5341(7) 0.8374(6) 0.0672(19) Uani 1 1 d . . . . .
H1 H -0.038862 0.591289 0.772004 0.081 Uiso 1 1 calc R U . . .
N1 N -0.1963(6) 0.5557(6) 0.8924(6) 0.0672(16) Uani 1 1 d . . . . .
O4 O 0.1089(5) 0.5739(5) 0.5994(5) 0.0728(15) Uani 1 1 d . . . . .
C4 C -0.1956(8) 0.3653(7) 1.0210(7) 0.069(2) Uani 1 1 d . . . . .
H4 H -0.239541 0.307045 1.084975 0.083 Uiso 1 1 calc R U . . .
F4 F 0.4310(19) 0.4492(8) 0.8159(10) 0.216(7) Uani 1 1 d . . . . .
N5 N 0.7651(6) 0.4240(5) 0.3731(5) 0.0585(14) Uani 1 1 d . . . . .
H5R H 0.775955 0.395611 0.433731 0.070 Uiso 1 1 calc R U . . .
O5 O 0.2787(5) 0.8431(4) 0.2890(4) 0.0607(12) Uani 1 1 d . . . . .
N6 N 0.7419(7) -0.1146(5) 0.7104(5) 0.0671(16) Uani 1 1 d . . . . .
O6 O 0.1525(6) 0.8926(5) 0.1809(5) 0.0742(15) Uani 1 1 d . . . . .
O7 O 0.6265(6) 0.5103(7) 0.2765(5) 0.0827(18) Uani 1 1 d . . . . .
O8 O 0.8856(5) 0.2151(4) 0.3694(4) 0.0579(11) Uani 1 1 d . . . . .
O9 O 0.6664(6) 0.1719(5) 0.3879(5) 0.0788(16) Uani 1 1 d . . . . .
C5 C -0.2550(8) 0.4702(8) 0.9829(7) 0.074(2) Uani 1 1 d . . . . .
H5 H -0.339997 0.481159 1.022621 0.088 Uiso 1 1 calc R U . . .
F5 F 0.5540(14) 0.6301(16) 0.7324(13) 0.246(8) Uani 1 1 d . . . . .
C6 C -0.0056(8) 0.2401(7) 1.0094(7) 0.0609(19) Uani 1 1 d . . . . .
F6 F 0.2775(11) 0.5272(17) 0.8868(13) 0.286(12) Uani 1 1 d . . . . .
C7 C 0.2881(11) 0.1983(8) 1.0453(7) 0.087(3) Uani 1 1 d . . . . .
H7A H 0.244093 0.170021 1.119117 0.105 Uiso 1 1 calc R U . . .
H7B H 0.299545 0.284604 1.017459 0.105 Uiso 1 1 calc R U . . .
C8 C 0.2065(8) 0.1544(7) 0.9932(6) 0.071(2) Uani 1 1 d . . . . .
H8 H 0.150786 0.080955 1.042811 0.086 Uiso 1 1 calc R U . . .
C9 C 0.3102(8) 0.1281(6) 0.9089(6) 0.0631(19) Uani 1 1 d . . . . .
H9 H 0.278405 0.056194 0.903453 0.076 Uiso 1 1 calc R U . . .
O10 O -0.4507(11) 0.3043(11) 1.2273(8) 0.070(3) Uani 0.5 1 d . . P . .
C10 C 0.4356(8) 0.1066(6) 0.9454(6) 0.0613(18) Uani 1 1 d . . . . .
C11 C 0.4236(10) 0.1465(6) 1.0215(7) 0.070(2) Uani 1 1 d . . . . .
C12 C 0.5292(11) 0.1379(8) 1.0639(8) 0.085(3) Uani 1 1 d . . . . .
H12 H 0.522075 0.165244 1.116616 0.103 Uiso 1 1 calc R U . . .
C13 C 0.6465(12) 0.0880(10) 1.0273(10) 0.096(3) Uani 1 1 d . . . . .
H13 H 0.718928 0.081028 1.055728 0.116 Uiso 1 1 calc R U . . .
C14 C 0.6563(9) 0.0492(9) 0.9500(9) 0.090(3) Uani 1 1 d . . . . .
H14 H 0.736623 0.017023 0.925255 0.108 Uiso 1 1 calc R U . . .
C15 C 0.5512(8) 0.0561(7) 0.9077(7) 0.075(2) Uani 1 1 d . . . . .
H15 H 0.557307 0.027866 0.855688 0.090 Uiso 1 1 calc R U . . .
C16 C 0.3854(8) 0.2150(6) 0.7217(6) 0.0574(18) Uani 1 1 d . . . . .
C17 C 0.4023(8) 0.3267(6) 0.6305(6) 0.0573(16) Uani 1 1 d . . . . .
C18 C 0.5141(7) 0.3438(6) 0.5440(6) 0.0547(15) Uani 1 1 d . . . . .
H18 H 0.576974 0.286234 0.545371 0.066 Uiso 1 1 calc R U . . .
C19 C 0.5324(7) 0.4443(6) 0.4571(6) 0.0551(15) Uani 1 1 d . . . . .
C20 C 0.4404(7) 0.5308(6) 0.4557(5) 0.0543(15) Uani 1 1 d . . . . .
H20 H 0.453909 0.600107 0.397048 0.065 Uiso 1 1 calc R U . . .
C21 C 0.3290(7) 0.5153(6) 0.5405(5) 0.0537(15) Uani 1 1 d . . . . .
C22 C 0.3118(7) 0.4130(6) 0.6269(6) 0.0554(15) Uani 1 1 d . . . . .
H22 H 0.236812 0.402142 0.684479 0.067 Uiso 1 1 calc R U . . .
C23 C 0.2256(7) 0.6031(6) 0.5439(6) 0.0568(17) Uani 1 1 d . . . . .
C24 C 0.1794(7) 0.8096(6) 0.4690(5) 0.0550(16) Uani 1 1 d . . . . .
H24 H 0.087149 0.775492 0.514622 0.066 Uiso 1 1 calc R U . . .
C25 C 0.1673(8) 0.8731(7) 0.3595(6) 0.0644(19) Uani 1 1 d . . . . .
H25 H 0.078257 0.850456 0.355280 0.077 Uiso 1 1 calc R U . . .
C26 C 0.1815(13) 1.0057(8) 0.3381(7) 0.091(3) Uani 1 1 d . . . . .
H26A H 0.251575 1.047129 0.273457 0.109 Uiso 1 1 calc R U . . .
H26B H 0.094947 1.040565 0.334599 0.109 Uiso 1 1 calc R U . . .
C27 C 0.2213(8) 1.0131(6) 0.4256(7) 0.071(2) Uani 1 1 d . . . . .
C28 C 0.2198(6) 0.9054(6) 0.4988(6) 0.0568(16) Uani 1 1 d . . . . .
C29 C 0.2479(8) 0.8913(8) 0.5895(7) 0.071(2) Uani 1 1 d . . . . .
H29 H 0.246905 0.815663 0.638759 0.085 Uiso 1 1 calc R U . . .
C30 C 0.2766(9) 0.9891(10) 0.6051(10) 0.090(3) Uani 1 1 d . . . . .
H30 H 0.293616 0.980827 0.666586 0.108 Uiso 1 1 calc R U . . .
C31 C 0.2812(11) 1.0998(10) 0.5325(11) 0.097(3) Uani 1 1 d . . . . .
H31 H 0.302811 1.166184 0.544339 0.116 Uiso 1 1 calc R U . . .
C32 C 0.2541(10) 1.1148(8) 0.4410(9) 0.089(3) Uani 1 1 d . . . . .
H32 H 0.257663 1.190467 0.391079 0.107 Uiso 1 1 calc R U . . .
C33 C 0.2516(8) 0.8531(6) 0.2017(6) 0.0581(17) Uani 1 1 d . . . . .
C34 C 0.3607(7) 0.8118(6) 0.1341(6) 0.0561(16) Uani 1 1 d . . . . .
C35 C 0.4822(7) 0.7724(6) 0.1540(6) 0.0588(16) Uani 1 1 d . . . . .
H35 H 0.500630 0.769241 0.213659 0.071 Uiso 1 1 calc R U . . .
C36 C 0.5758(7) 0.7377(7) 0.0823(6) 0.0640(18) Uani 1 1 d . . . . .
H36 H 0.659269 0.713535 0.094099 0.077 Uiso 1 1 calc R U . . .
C37 C 0.4314(8) 0.7704(7) -0.0164(7) 0.0676(19) Uani 1 1 d . . . . .
H37 H 0.411780 0.767217 -0.073810 0.081 Uiso 1 1 calc R U . . .
C38 C 0.3361(8) 0.8083(7) 0.0479(6) 0.0613(17) Uani 1 1 d . . . . .
H38 H 0.253736 0.832149 0.033807 0.074 Uiso 1 1 calc R U . . .
C39 C 0.6438(8) 0.4626(7) 0.3625(6) 0.0620(18) Uani 1 1 d . . . . .
C40 C 0.8781(7) 0.4284(6) 0.2861(6) 0.0567(16) Uani 1 1 d . . . . .
H40 H 0.861623 0.487786 0.224073 0.068 Uiso 1 1 calc R U . . .
C41 C 0.8977(8) 0.3108(6) 0.2700(6) 0.0590(16) Uani 1 1 d . . . . .
H41 H 0.834529 0.296105 0.235346 0.071 Uiso 1 1 calc R U . . .
C42 C 1.0453(8) 0.3233(7) 0.2078(6) 0.0661(19) Uani 1 1 d . . . . .
H42A H 1.083922 0.246665 0.222969 0.079 Uiso 1 1 calc R U . . .
H42B H 1.055419 0.359437 0.134526 0.079 Uiso 1 1 calc R U . . .
C43 C 1.1122(7) 0.4026(6) 0.2418(6) 0.0582(16) Uani 1 1 d . . . . .
C44 C 1.0162(7) 0.4611(6) 0.2894(5) 0.0542(15) Uani 1 1 d . . . . .
C45 C 1.0502(8) 0.5360(7) 0.3310(6) 0.0664(19) Uani 1 1 d . . . . .
H45 H 0.984151 0.574336 0.364246 0.080 Uiso 1 1 calc R U . . .
C46 C 1.1907(9) 0.5518(8) 0.3207(7) 0.074(2) Uani 1 1 d . . . . .
H46 H 1.218619 0.602508 0.347273 0.089 Uiso 1 1 calc R U . . .
C47 C 1.2858(9) 0.4957(8) 0.2735(7) 0.075(2) Uani 1 1 d . . . . .
H47 H 1.377747 0.508096 0.268597 0.090 Uiso 1 1 calc R U . . .
C48 C 1.2507(8) 0.4212(7) 0.2327(7) 0.070(2) Uani 1 1 d . . . . .
H48 H 1.317589 0.383484 0.199382 0.084 Uiso 1 1 calc R U . . .
C49 C 0.7638(7) 0.1543(6) 0.4188(6) 0.0614(17) Uani 1 1 d . . . . .
C50 C 0.7611(7) 0.0635(6) 0.5200(6) 0.0605(17) Uani 1 1 d . . . . .
C51 C 0.8753(8) 0.0256(7) 0.5517(6) 0.0671(19) Uani 1 1 d . . . . .
H51 H 0.962079 0.060894 0.508808 0.081 Uiso 1 1 calc R U . . .
C52 C 0.8631(7) -0.0620(7) 0.6443(7) 0.071(2) Uani 1 1 d . . . . .
H52 H 0.942683 -0.086829 0.662818 0.085 Uiso 1 1 calc R U . . .
C53 C 0.6303(8) -0.0754(7) 0.6806(7) 0.077(2) Uani 1 1 d . . . . .
H53 H 0.544210 -0.109034 0.726022 0.092 Uiso 1 1 calc R U . . .
C54 C 0.6364(8) 0.0108(7) 0.5879(7) 0.070(2) Uani 1 1 d . . . . .
H54 H 0.555789 0.034094 0.570455 0.084 Uiso 1 1 calc R U . . .
O1A O 0.0712(14) 0.8817(12) -0.0502(12) 0.157(5) Uani 1 1 d . . . . .
O2A O -0.0852(10) 0.6638(11) 0.0675(9) 0.134(3) Uani 1 1 d . . . . .
C1A C -0.0548(13) 0.8638(12) 0.0354(12) 0.114(4) Uani 1 1 d . . . . .
H1AA H -0.133609 0.878687 0.008924 0.136 Uiso 1 1 calc R U . . .
H1AB H -0.050223 0.920215 0.067293 0.136 Uiso 1 1 calc R U . . .
C2A C -0.0726(17) 0.7421(16) 0.1133(14) 0.130(5) Uani 1 1 d . . . . .
H2AA H 0.006247 0.726117 0.139820 0.156 Uiso 1 1 calc R U . . .
H2AB H -0.154293 0.732905 0.170356 0.156 Uiso 1 1 calc R U . . .
C3A C 0.0363(16) 0.6707(15) -0.0074(12) 0.122(4) Uani 1 1 d . . . . .
H3A1 H 0.030813 0.607951 -0.032508 0.146 Uiso 1 1 calc R U . . .
H3A2 H 0.110648 0.655851 0.023908 0.146 Uiso 1 1 calc R U . . .
C4A C 0.069(2) 0.778(2) -0.0908(18) 0.166(8) Uani 1 1 d . . . . .
H4AA H 0.000534 0.790911 -0.127909 0.200 Uiso 1 1 calc R U . . .
H4AB H 0.157853 0.778218 -0.137750 0.200 Uiso 1 1 calc R U . . .
O1B O 0.8340(7) 0.3611(7) 0.5659(5) 0.0877(18) Uani 1 1 d . . . . .
O2B O 0.8866(10) 0.2783(7) 0.7566(6) 0.105(2) Uani 1 1 d . . . . .
C1B C 0.9547(12) 0.3078(11) 0.5792(9) 0.096(3) Uani 1 1 d . . . . .
H1BA H 1.027306 0.368901 0.560414 0.115 Uiso 1 1 calc R U . . .
H1BB H 0.983515 0.264234 0.534042 0.115 Uiso 1 1 calc R U . . .
C2B C 0.9330(18) 0.2260(13) 0.6870(11) 0.118(4) Uani 1 1 d . . . . .
H2BA H 0.867068 0.160847 0.702689 0.142 Uiso 1 1 calc R U . . .
H2BB H 1.019140 0.192613 0.694307 0.142 Uiso 1 1 calc R U . . .
C3B C 0.7640(15) 0.3345(12) 0.7434(10) 0.104(3) Uani 1 1 d . . . . .
H3BA H 0.734430 0.375701 0.790372 0.124 Uiso 1 1 calc R U . . .
H3BB H 0.691185 0.274839 0.759203 0.124 Uiso 1 1 calc R U . . .
C4B C 0.7903(12) 0.4207(10) 0.6352(8) 0.090(3) Uani 1 1 d . . . . .
H4BA H 0.706940 0.458766 0.626333 0.108 Uiso 1 1 calc R U . . .
H4BB H 0.860779 0.481983 0.620309 0.108 Uiso 1 1 calc R U . . .
O1C O 0.5655(7) 0.8016(6) 0.3898(5) 0.0818(16) Uani 1 1 d . . . . .
O2C O 0.8095(9) 0.8965(11) 0.3931(8) 0.121(3) Uani 1 1 d . . . . .
C1C C 0.6064(12) 0.7699(12) 0.4794(9) 0.097(3) Uani 1 1 d . . . . .
H1CA H 0.573186 0.687873 0.523350 0.116 Uiso 1 1 calc R U . . .
H1CB H 0.565080 0.819677 0.516784 0.116 Uiso 1 1 calc R U . . .
C2C C 0.7518(14) 0.7825(15) 0.4567(13) 0.123(4) Uani 1 1 d . . . . .
H2CA H 0.774955 0.760109 0.520913 0.147 Uiso 1 1 calc R U . . .
H2CB H 0.791960 0.727911 0.424113 0.147 Uiso 1 1 calc R U . . .
C3C C 0.7669(19) 0.9285(18) 0.3036(12) 0.153(7) Uani 1 1 d . . . . .
H3CA H 0.808273 0.878731 0.266086 0.184 Uiso 1 1 calc R U . . .
H3CB H 0.800853 1.010318 0.259611 0.184 Uiso 1 1 calc R U . . .
C4C C 0.6220(17) 0.9173(10) 0.3237(10) 0.118(5) Uani 1 1 d . . . . .
H4CA H 0.580703 0.973018 0.354643 0.141 Uiso 1 1 calc R U . . .
H4CB H 0.600419 0.937512 0.259076 0.141 Uiso 1 1 calc R U . . .


_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 2.212(6) . ?
Ag1 N6 2.233(6) 1_465 ?
Ag1 N4 2.330(6) 1_456 ?
N2 C16 1.336(10) . ?
N2 C9 1.462(9) . ?
N3 C23 1.339(10) . ?
N3 C24 1.445(7) . ?
O3 C16 1.222(8) . ?
N4 C36 1.333(11) . ?
N4 C37 1.348(10) . ?
O2 C6 1.321(10) . ?
O2 C8 1.443(8) . ?
C2 C3 1.360(11) . ?
C2 C1 1.384(9) . ?
F2 P1 1.582(10) . ?
C3 C4 1.362(11) . ?
C3 C6 1.499(10) . ?
F3 P1 1.519(9) . ?
P1 F4 1.478(9) . ?
P1 F6 1.503(11) . ?
P1 F5 1.549(13) . ?
P1 F1 1.567(9) . ?
O1 C6 1.199(11) . ?
C1 N1 1.324(10) . ?
N1 C5 1.338(11) . ?
O4 C23 1.220(9) . ?
C4 C5 1.396(10) . ?
N5 C39 1.349(9) . ?
N5 C40 1.451(9) . ?
O5 C33 1.356(9) . ?
O5 C25 1.452(8) . ?
N6 C52 1.347(11) . ?
N6 C53 1.352(11) . ?
O6 C33 1.183(9) . ?
O7 C39 1.246(10) . ?
O8 C49 1.339(9) . ?
O8 C41 1.472(9) . ?
O9 C49 1.195(9) . ?
C7 C8 1.514(15) . ?
C7 C11 1.515(12) . ?
C8 C9 1.520(11) . ?
C9 C10 1.512(11) . ?
C10 C11 1.358(12) . ?
C10 C15 1.391(10) . ?
C11 C12 1.382(14) . ?
C12 C13 1.395(16) . ?
C13 C14 1.370(18) . ?
C14 C15 1.380(15) . ?
C16 C17 1.493(10) . ?
C17 C22 1.381(9) . ?
C17 C18 1.406(11) . ?
C18 C19 1.378(10) . ?
C19 C20 1.395(8) . ?
C19 C39 1.478(11) . ?
C20 C21 1.391(10) . ?
C21 C22 1.389(10) . ?
C21 C23 1.492(8) . ?
C24 C28 1.507(10) . ?
C24 C25 1.552(11) . ?
C25 C26 1.541(12) . ?
C26 C27 1.495(15) . ?
C27 C28 1.357(10) . ?
C27 C32 1.417(14) . ?
C28 C29 1.397(12) . ?
C29 C30 1.362(13) . ?
C30 C31 1.373(18) . ?
C31 C32 1.401(17) . ?
C33 C34 1.487(10) . ?
C34 C38 1.382(11) . ?
C34 C35 1.393(10) . ?
C35 C36 1.398(10) . ?
C37 C38 1.358(11) . ?
C40 C44 1.507(11) . ?
C40 C41 1.546(10) . ?
C41 C42 1.511(11) . ?
C42 C43 1.509(12) . ?
C43 C44 1.385(9) . ?
C43 C48 1.409(11) . ?
C44 C45 1.382(12) . ?
C45 C46 1.420(13) . ?
C46 C47 1.355(13) . ?
C47 C48 1.374(14) . ?
C49 C50 1.487(11) . ?
C50 C54 1.381(11) . ?
C50 C51 1.387(11) . ?
C51 C52 1.363(12) . ?
C53 C54 1.369(12) . ?
O1A C1A 1.48(2) . ?
O1A C4A 1.60(3) . ?
O2A C3A 1.392(18) . ?
O2A C2A 1.394(18) . ?
C1A C2A 1.48(2) . ?
C3A C4A 1.40(3) . ?
O1B C1B 1.412(13) . ?
O1B C4B 1.435(13) . ?
O2B C2B 1.375(16) . ?
O2B C3B 1.442(16) . ?
C1B C2B 1.487(18) . ?
C3B C4B 1.503(17) . ?
O1C C1C 1.413(13) . ?
O1C C4C 1.416(14) . ?
O2C C2C 1.396(19) . ?
O2C C3C 1.42(2) . ?
C1C C2C 1.435(19) . ?
C3C C4C 1.43(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N6 133.6(2) . 1_465 ?
N1 Ag1 N4 110.7(2) . 1_456 ?
N6 Ag1 N4 115.7(2) 1_465 1_456 ?
C16 N2 C9 122.4(6) . . ?
C23 N3 C24 123.2(6) . . ?
C36 N4 C37 117.3(6) . . ?
C36 N4 Ag1 126.8(5) . 1_654 ?
C37 N4 Ag1 114.3(5) . 1_654 ?
C6 O2 C8 118.6(6) . . ?
C3 C2 C1 118.2(7) . . ?
C2 C3 C4 119.4(6) . . ?
C2 C3 C6 122.8(7) . . ?
C4 C3 C6 117.8(7) . . ?
F4 P1 F6 86.9(11) . . ?
F4 P1 F3 91.8(7) . . ?
F6 P1 F3 88.5(9) . . ?
F4 P1 F5 99.1(11) . . ?
F6 P1 F5 172.0(13) . . ?
F3 P1 F5 86.0(9) . . ?
F4 P1 F1 94.9(6) . . ?
F6 P1 F1 91.9(10) . . ?
F3 P1 F1 173.4(6) . . ?
F5 P1 F1 92.9(10) . . ?
F4 P1 F2 175.5(9) . . ?
F6 P1 F2 89.9(10) . . ?
F3 P1 F2 91.3(6) . . ?
F5 P1 F2 84.4(9) . . ?
F1 P1 F2 82.1(6) . . ?
N1 C1 C2 124.4(8) . . ?
C1 N1 C5 116.3(6) . . ?
C1 N1 Ag1 125.1(6) . . ?
C5 N1 Ag1 118.2(5) . . ?
C3 C4 C5 118.7(8) . . ?
C39 N5 C40 121.8(6) . . ?
C33 O5 C25 113.3(5) . . ?
C52 N6 C53 116.5(7) . . ?
C52 N6 Ag1 125.0(5) . 1_645 ?
C53 N6 Ag1 118.1(5) . 1_645 ?
C49 O8 C41 116.5(6) . . ?
N1 C5 C4 122.8(7) . . ?
O1 C6 O2 123.6(7) . . ?
O1 C6 C3 124.5(7) . . ?
O2 C6 C3 111.9(7) . . ?
C8 C7 C11 103.3(7) . . ?
O2 C8 C7 111.7(7) . . ?
O2 C8 C9 110.5(7) . . ?
C7 C8 C9 106.0(7) . . ?
N2 C9 C10 111.7(6) . . ?
N2 C9 C8 111.2(5) . . ?
C10 C9 C8 103.3(7) . . ?
C11 C10 C15 122.5(8) . . ?
C11 C10 C9 110.6(6) . . ?
C15 C10 C9 126.9(8) . . ?
C10 C11 C12 119.8(8) . . ?
C10 C11 C7 110.7(8) . . ?
C12 C11 C7 129.6(9) . . ?
C11 C12 C13 118.9(10) . . ?
C14 C13 C12 120.1(10) . . ?
C13 C14 C15 121.5(9) . . ?
C14 C15 C10 117.1(9) . . ?
O3 C16 N2 122.6(7) . . ?
O3 C16 C17 123.1(7) . . ?
N2 C16 C17 114.2(6) . . ?
C22 C17 C18 118.7(7) . . ?
C22 C17 C16 122.9(7) . . ?
C18 C17 C16 118.5(6) . . ?
C19 C18 C17 120.6(6) . . ?
C18 C19 C20 119.6(6) . . ?
C18 C19 C39 122.4(5) . . ?
C20 C19 C39 118.0(6) . . ?
C21 C20 C19 120.6(6) . . ?
C22 C21 C20 118.9(6) . . ?
C22 C21 C23 117.7(6) . . ?
C20 C21 C23 123.5(6) . . ?
C17 C22 C21 121.6(7) . . ?
O4 C23 N3 122.6(6) . . ?
O4 C23 C21 121.7(7) . . ?
N3 C23 C21 115.7(6) . . ?
N3 C24 C28 114.3(6) . . ?
N3 C24 C25 114.4(5) . . ?
C28 C24 C25 105.6(6) . . ?
O5 C25 C26 110.4(7) . . ?
O5 C25 C24 108.5(5) . . ?
C26 C25 C24 105.2(7) . . ?
C27 C26 C25 105.5(6) . . ?
C28 C27 C32 119.0(10) . . ?
C28 C27 C26 112.3(7) . . ?
C32 C27 C26 128.7(8) . . ?
C27 C28 C29 122.3(8) . . ?
C27 C28 C24 110.7(7) . . ?
C29 C28 C24 127.0(7) . . ?
C30 C29 C28 118.7(9) . . ?
C29 C30 C31 121.0(11) . . ?
C30 C31 C32 120.7(9) . . ?
C31 C32 C27 118.4(9) . . ?
O6 C33 O5 123.3(6) . . ?
O6 C33 C34 123.7(7) . . ?
O5 C33 C34 113.0(6) . . ?
C38 C34 C35 118.4(6) . . ?
C38 C34 C33 117.0(6) . . ?
C35 C34 C33 124.6(7) . . ?
C34 C35 C36 117.9(7) . . ?
N4 C36 C35 123.3(7) . . ?
N4 C37 C38 123.2(8) . . ?
C37 C38 C34 119.8(7) . . ?
O7 C39 N5 121.2(7) . . ?
O7 C39 C19 121.7(6) . . ?
N5 C39 C19 117.2(6) . . ?
N5 C40 C44 115.2(6) . . ?
N5 C40 C41 114.7(6) . . ?
C44 C40 C41 103.1(5) . . ?
O8 C41 C42 106.3(5) . . ?
O8 C41 C40 108.6(6) . . ?
C42 C41 C40 103.7(6) . . ?
C43 C42 C41 103.1(6) . . ?
C44 C43 C48 119.5(7) . . ?
C44 C43 C42 110.9(6) . . ?
C48 C43 C42 129.6(7) . . ?
C45 C44 C43 122.5(6) . . ?
C45 C44 C40 128.9(6) . . ?
C43 C44 C40 108.6(6) . . ?
C44 C45 C46 116.1(7) . . ?
C47 C46 C45 121.9(9) . . ?
C46 C47 C48 121.4(8) . . ?
C47 C48 C43 118.5(7) . . ?
O9 C49 O8 124.9(7) . . ?
O9 C49 C50 123.0(7) . . ?
O8 C49 C50 112.1(6) . . ?
C54 C50 C51 116.7(7) . . ?
C54 C50 C49 118.3(6) . . ?
C51 C50 C49 125.0(7) . . ?
C52 C51 C50 120.8(7) . . ?
N6 C52 C51 122.7(7) . . ?
N6 C53 C54 123.4(7) . . ?
C53 C54 C50 119.8(7) . . ?
C1A O1A C4A 107.9(13) . . ?
C3A O2A C2A 109.3(12) . . ?
O1A C1A C2A 111.2(11) . . ?
O2A C2A C1A 108.4(14) . . ?
O2A C3A C4A 114.8(16) . . ?
C3A C4A O1A 108.9(17) . . ?
C1B O1B C4B 108.8(8) . . ?
C2B O2B C3B 110.0(10) . . ?
O1B C1B C2B 110.7(10) . . ?
O2B C2B C1B 113.8(11) . . ?
O2B C3B C4B 109.7(10) . . ?
O1B C4B C3B 110.1(9) . . ?
C1C O1C C4C 108.8(8) . . ?
C2C O2C C3C 107.2(10) . . ?
O1C C1C C2C 111.9(10) . . ?
O2C C2C C1C 113.7(12) . . ?
O2C C3C C4C 113.8(11) . . ?
O1C C4C C3C 111.8(13) . . ?

_refine_diff_density_max         0.953
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.090
























####################################################################### 
# 
# 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_AgPF6_BTII2
_database_code_depnum_ccdc_archive 'CCDC 2097322'
loop_
_audit_author_name
_audit_author_address
'Dongwon Kim'
;Pusan National University
South Korea
;
_audit_update_record             
;
2022-03-24 deposited with the CCDC.	2022-03-28 downloaded from the CCDC.
;

_vrf_PLAT342_AgPF6_BTII2         
; 
RESPONSE: The crystals all showed strong diffuse scattering in the 
form of diffuse Bragg peaks and scattering between them. 
As the model does not account for this type of disorder this is 
results in low bond precision.
;
_vrf_PLAT430_AgPF6_BTII2         
; 
RESPONSE:Caused by partly occupied H2O  
;



_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H42 Ag N6 O9, F6 P, 3(C4 H8 O2), O0.50'
_chemical_formula_sum            'C66 H67 Ag F6 N6 O15.50 P'
_chemical_formula_weight         1445.09

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0044 0.0021 '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 0.0084 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0141 0.0077 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0219 0.0130 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1215 0.1160 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.6984 1.3230 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   10.284(2)
_cell_length_b                   12.348(3)
_cell_length_c                   14.787(3)
_cell_angle_alpha                67.17(3)
_cell_angle_beta                 72.20(3)
_cell_angle_gamma                87.20(3)
_cell_volume                     1642.6(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    16948
_cell_measurement_theta_min      0.447
_cell_measurement_theta_max      33.858

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_F_000             745
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.023
_exptl_crystal_size_mid          0.021
_exptl_crystal_size_min          0.011
_exptl_absorpt_coefficient_mu    0.529
_shelx_estimated_absorpt_T_min   0.988
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.780
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50248
_diffrn_reflns_av_unetI/netI     0.0959
_diffrn_reflns_av_R_equivalents  0.1127
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.726
_diffrn_reflns_theta_max         27.699
_diffrn_reflns_theta_full        27.699
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_point_group_measured_fraction_full 0.956
_reflns_number_total             11139
_reflns_number_gt                4458
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.939
_reflns_Friedel_fraction_max     0.926
_reflns_Friedel_fraction_full    0.926

_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       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Mercury 4.2.0'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_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)+(0.1551P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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_abs_structure_details 
;
 Flack x determined using 1603 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(2)
_chemical_absolute_configuration .
_refine_ls_number_reflns         11139
_refine_ls_number_parameters     865
_refine_ls_number_restraints     146
_refine_ls_R_factor_all          0.1911
_refine_ls_R_factor_gt           0.0870
_refine_ls_wR_factor_ref         0.2885
_refine_ls_wR_factor_gt          0.2246
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_restrained_S_all      0.965
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.28993(16) 0.27636(15) 0.16357(15) 0.1382(8) Uani 1 1 d . . . . .
O1 O 1.0544(18) 0.8352(18) -0.072(2) 0.169(7) Uani 1 1 d . . . . .
P1 P 0.5909(8) 0.4351(6) 0.2050(6) 0.131(2) Uani 1 1 d . . . . .
F1 F 0.581(4) 0.5579(17) 0.197(2) 0.291(15) Uani 1 1 d . . . . .
C1 C 1.260(3) 0.532(3) 0.034(3) 0.140(8) Uani 1 1 d . . . . .
H1 H 1.345806 0.519489 -0.005271 0.168 Uiso 1 1 calc R U . . .
N1 N 1.2004(19) 0.4486(17) 0.1240(16) 0.127(6) Uani 1 1 d . . . . .
C2 C 1.204(3) 0.640(2) -0.009(2) 0.140(8) Uani 1 1 d . . . . .
H2 H 1.249534 0.697569 -0.074470 0.167 Uiso 1 1 calc R U . . .
O2 O 0.8833(17) 0.7633(16) 0.0648(16) 0.158(7) Uani 1 1 d . . . . .
N2 N 0.662(2) 0.7766(15) 0.2068(17) 0.119(5) Uani 1 1 d . . . . .
H2A H 0.673568 0.705869 0.207995 0.142 Uiso 1 1 calc R U . . .
F2 F 0.541(2) 0.4569(19) 0.1204(14) 0.222(8) Uani 1 1 d . . . . .
C3 C 1.078(2) 0.6546(19) 0.051(2) 0.113(6) Uani 1 1 d . . . . .
O3 O 0.5878(19) 0.8832(16) 0.3033(14) 0.147(6) Uani 1 1 d . . . . .
N3 N 0.2290(16) 0.5721(16) 0.6450(13) 0.118(5) Uani 1 1 d . . . . .
H3 H 0.221779 0.603792 0.583055 0.141 Uiso 1 1 calc R U . . .
F3 F 0.611(4) 0.3082(16) 0.216(2) 0.265(12) Uani 1 1 d . . . . .
C4 C 1.021(2) 0.572(3) 0.143(2) 0.147(9) Uani 1 1 d . . . . .
H4 H 0.937001 0.583681 0.184862 0.176 Uiso 1 1 calc R U . . .
O4 O 0.3634(17) 0.484(2) 0.7441(17) 0.160(7) Uani 1 1 d . . . . .
N4 N 0.266(2) 1.1189(17) 0.3087(16) 0.133(7) Uani 1 1 d . . . . .
F4 F 0.652(4) 0.408(2) 0.2904(19) 0.270(14) Uani 1 1 d . . . . .
C5 C 1.079(2) 0.469(2) 0.178(2) 0.138(7) Uani 1 1 d . . . . .
H5 H 1.032879 0.411362 0.243384 0.166 Uiso 1 1 calc R U . . .
O5 O 0.1104(15) 0.7818(15) 0.6511(12) 0.125(4) Uani 1 1 d . . . . .
N5 N 0.7340(16) 0.2880(16) 0.5343(12) 0.109(5) Uani 1 1 d . . . . .
H5A H 0.648741 0.273776 0.572799 0.131 Uiso 1 1 calc R U . . .
O6A O 0.932(4) 0.112(3) 1.067(3) 0.289(17) Uani 1 1 d D . . . .
F5 F 0.455(2) 0.388(3) 0.278(2) 0.294(15) Uani 1 1 d . . . . .
C6 C 1.001(3) 0.764(2) 0.010(2) 0.125(8) Uani 1 1 d . . . . .
O6 O 0.3283(19) 0.8240(13) 0.6332(13) 0.147(5) Uani 1 1 d . . . . .
F6 F 0.727(2) 0.477(3) 0.125(2) 0.307(17) Uani 1 1 d . . . . .
C7 C 0.797(3) 0.855(2) 0.020(2) 0.146(8) Uani 1 1 d . . . . .
H7 H 0.852585 0.929399 -0.028815 0.175 Uiso 1 1 calc R U . . .
O7 O 0.8971(17) 0.4323(13) 0.4136(13) 0.129(5) Uani 1 1 d . . . . .
N7 N 0.4506(14) 0.2640(13) 1.0221(14) 0.102(4) Uani 1 1 d . . . . .
C8 C 0.718(3) 0.810(3) -0.031(2) 0.162(11) Uani 1 1 d . . . . .
H8A H 0.762354 0.839248 -0.106073 0.195 Uiso 1 1 calc R U . . .
H8B H 0.706880 0.723806 -0.002432 0.195 Uiso 1 1 calc R U . . .
O9 O 0.7268(11) 0.1610(11) 0.7275(11) 0.110(4) Uani 1 1 d . . . . .
O8 O 0.8561(17) 0.1155(17) 0.8293(13) 0.146(6) Uani 1 1 d . . . . .
C9 C 0.581(3) 0.862(2) -0.005(3) 0.132(8) Uani 1 1 d . . . . .
C10 C 0.482(5) 0.871(2) -0.048(2) 0.162(10) Uani 1 1 d . . . . .
H10 H 0.495453 0.848271 -0.104445 0.195 Uiso 1 1 calc R U . . .
C11 C 0.353(4) 0.915(3) -0.008(3) 0.163(13) Uani 1 1 d . . . . .
H11 H 0.278694 0.918194 -0.033318 0.195 Uiso 1 1 calc R U . . .
C12 C 0.347(3) 0.951(3) 0.067(4) 0.170(13) Uani 1 1 d . . . . .
H12 H 0.263338 0.978585 0.094739 0.204 Uiso 1 1 calc R U . . .
C13 C 0.452(3) 0.9514(19) 0.1107(19) 0.139(8) Uani 1 1 d . . . . .
H13 H 0.443930 0.982777 0.160578 0.166 Uiso 1 1 calc R U . . .
C14 C 0.565(2) 0.9017(18) 0.073(2) 0.119(6) Uani 1 1 d . . . . .
C15 C 0.691(2) 0.874(2) 0.107(2) 0.130(7) Uani 1 1 d . . . . .
H15 H 0.722570 0.944417 0.113626 0.156 Uiso 1 1 calc R U . . .
C16 C 0.619(3) 0.789(3) 0.295(2) 0.130(9) Uani 1 1 d . . . . .
C17 C 0.593(3) 0.677(2) 0.387(2) 0.123(7) Uani 1 1 d . . . . .
C18 C 0.686(2) 0.591(2) 0.3886(18) 0.114(6) Uani 1 1 d . . . . .
H18 H 0.762399 0.604630 0.329833 0.137 Uiso 1 1 calc R U . . .
C19 C 0.6691(18) 0.4858(19) 0.4745(17) 0.104(6) Uani 1 1 d . . . . .
C20 C 0.557(2) 0.4692(18) 0.5579(17) 0.112(6) Uani 1 1 d . . . . .
H20 H 0.540578 0.396822 0.615050 0.134 Uiso 1 1 calc R U . . .
C21 C 0.464(2) 0.556(2) 0.562(2) 0.119(6) Uani 1 1 d . . . . .
C22 C 0.488(2) 0.661(2) 0.470(2) 0.118(6) Uani 1 1 d . . . . .
H22 H 0.426263 0.719573 0.469061 0.142 Uiso 1 1 calc R U . . .
C23 C 0.350(2) 0.531(2) 0.657(2) 0.126(7) Uani 1 1 d . . . . .
C24 C 0.110(2) 0.565(2) 0.7325(19) 0.125(7) Uani 1 1 d . . . . .
H24 H 0.124679 0.503613 0.795227 0.150 Uiso 1 1 calc R U . . .
C25 C -0.022(2) 0.537(2) 0.7306(17) 0.115(6) Uani 1 1 d . . . . .
C26 C -0.056(3) 0.468(2) 0.6837(19) 0.132(7) Uani 1 1 d . . . . .
H26 H 0.011483 0.435559 0.644873 0.158 Uiso 1 1 calc R U . . .
C27 C -0.194(4) 0.451(2) 0.698(2) 0.148(9) Uani 1 1 d . . . . .
H27 H -0.222422 0.397039 0.676127 0.178 Uiso 1 1 calc R U . . .
C28 C -0.291(3) 0.514(3) 0.743(2) 0.142(8) Uani 1 1 d . . . . .
H28 H -0.381236 0.509336 0.742010 0.171 Uiso 1 1 calc R U . . .
C29 C -0.259(3) 0.578(3) 0.788(2) 0.138(8) Uani 1 1 d . . . . .
H29 H -0.327247 0.610235 0.827152 0.165 Uiso 1 1 calc R U . . .
C30 C -0.119(2) 0.597(2) 0.7751(19) 0.124(7) Uani 1 1 d . . . . .
C31 C -0.053(3) 0.671(2) 0.813(2) 0.136(7) Uani 1 1 d . . . . .
H31A H -0.064231 0.630579 0.886395 0.163 Uiso 1 1 calc R U . . .
H31B H -0.092981 0.747563 0.800691 0.163 Uiso 1 1 calc R U . . .
C32 C 0.0959(19) 0.687(2) 0.7485(19) 0.117(7) Uani 1 1 d . . . . .
H32 H 0.158858 0.698624 0.783717 0.140 Uiso 1 1 calc R U . . .
C33 C 0.231(2) 0.843(2) 0.603(2) 0.128(8) Uani 1 1 d D . . . .
C34 C 0.241(2) 0.937(2) 0.4976(19) 0.118(6) Uani 1 1 d D . . . .
C35 C 0.362(2) 0.989(2) 0.437(2) 0.128(8) Uani 1 1 d . . . . .
H35 H 0.440004 0.967520 0.458800 0.154 Uiso 1 1 calc R U . . .
C36 C 0.373(2) 1.075(3) 0.345(3) 0.158(11) Uani 1 1 d . . . . .
H36 H 0.462002 1.107162 0.300835 0.190 Uiso 1 1 calc R U . . .
C37 C 0.149(3) 1.069(2) 0.368(2) 0.132(8) Uani 1 1 d . . . . .
H37 H 0.072969 1.093156 0.344825 0.159 Uiso 1 1 calc R U . . .
C38 C 0.125(2) 0.980(3) 0.468(2) 0.134(8) Uani 1 1 d . . . . .
H38 H 0.036181 0.951135 0.512881 0.160 Uiso 1 1 calc R U . . .
C39 C 0.8232(17) 0.1925(18) 0.5436(14) 0.098(5) Uani 1 1 d . . . . .
H39 H 0.915441 0.226409 0.494930 0.118 Uiso 1 1 calc R U . . .
C40 C 0.7807(19) 0.0985(18) 0.5172(19) 0.106(6) Uani 1 1 d . . . . .
C41 C 0.7534(18) 0.1117(19) 0.4274(19) 0.107(6) Uani 1 1 d . . . . .
H41 H 0.756303 0.186948 0.375864 0.129 Uiso 1 1 calc R U . . .
C42 C 0.722(3) 0.013(4) 0.416(3) 0.165(11) Uani 1 1 d . . . . .
H42 H 0.701152 0.021695 0.355997 0.198 Uiso 1 1 calc R U . . .
C43 C 0.721(2) -0.099(3) 0.488(4) 0.172(15) Uani 1 1 d . . . . .
H43 H 0.704234 -0.165089 0.475716 0.207 Uiso 1 1 calc R U . . .
C44 C 0.744(2) -0.114(2) 0.583(3) 0.138(9) Uani 1 1 d . . . . .
H44 H 0.736317 -0.189402 0.635266 0.165 Uiso 1 1 calc R U . . .
C45 C 0.779(2) -0.013(2) 0.595(2) 0.130(8) Uani 1 1 d . . . . .
C46 C 0.817(4) -0.005(3) 0.679(2) 0.174(12) Uani 1 1 d . . . . .
H46A H 0.902644 -0.042037 0.683999 0.209 Uiso 1 1 calc R U . . .
H46B H 0.745142 -0.043112 0.745201 0.209 Uiso 1 1 calc R U . . .
C47 C 0.837(2) 0.134(2) 0.651(2) 0.136(8) Uani 1 1 d . . . . .
H47 H 0.928266 0.155700 0.651859 0.163 Uiso 1 1 calc R U . . .
C48 C 0.752(2) 0.1519(17) 0.8165(17) 0.100(5) Uani 1 1 d . . . . .
C49 C 0.6493(17) 0.1972(15) 0.8772(17) 0.095(5) Uani 1 1 d . . . . .
C50 C 0.6716(17) 0.1971(17) 0.9654(18) 0.106(6) Uani 1 1 d . . . . .
H50 H 0.752009 0.169733 0.981410 0.127 Uiso 1 1 calc R U . . .
C51 C 0.574(2) 0.2375(19) 1.0280(17) 0.119(6) Uani 1 1 d . . . . .
H51 H 0.597982 0.247663 1.081022 0.143 Uiso 1 1 calc R U . . .
C52 C 0.4294(18) 0.2670(15) 0.9340(18) 0.107(6) Uani 1 1 d . . . . .
H52 H 0.349275 0.296751 0.918749 0.129 Uiso 1 1 calc R U . . .
C53 C 0.5246(19) 0.2267(15) 0.8667(16) 0.107(5) Uani 1 1 d . . . . .
H53 H 0.501609 0.219674 0.812278 0.128 Uiso 1 1 calc R U . . .
C54 C 0.783(3) 0.4016(19) 0.4647(18) 0.102(5) Uani 1 1 d . . . . .
C1A C 0.052(4) 0.766(3) 0.333(2) 0.175(8) Uani 1 1 d . U . . .
H1AA H -0.039252 0.786892 0.327461 0.209 Uiso 1 1 calc R U . . .
H1AB H 0.104520 0.839903 0.314357 0.209 Uiso 1 1 calc R U . . .
O1A O 0.110(2) 0.7260(17) 0.2611(14) 0.163(5) Uani 1 1 d . U . . .
C2A C 0.036(3) 0.699(3) 0.437(2) 0.169(8) Uani 1 1 d . U . . .
H2AA H -0.039159 0.637204 0.464226 0.202 Uiso 1 1 calc R U . . .
H2AB H 0.010847 0.749138 0.475975 0.202 Uiso 1 1 calc R U . . .
O2A O 0.1640(17) 0.6430(16) 0.4506(12) 0.145(5) Uani 1 1 d . U . . .
C3A C 0.206(3) 0.593(3) 0.376(2) 0.169(8) Uani 1 1 d . U . . .
H3AA H 0.135457 0.531061 0.393491 0.203 Uiso 1 1 calc R U . . .
H3AB H 0.290177 0.554708 0.382303 0.203 Uiso 1 1 calc R U . . .
O3A O 0.4348(15) 0.2038(14) 0.6260(13) 0.137(4) Uani 1 1 d . U . . .
C4A C 0.230(4) 0.671(3) 0.271(2) 0.176(9) Uani 1 1 d . U . . .
H4AA H 0.304876 0.730175 0.249494 0.211 Uiso 1 1 calc R U . . .
H4AB H 0.255155 0.626593 0.226341 0.211 Uiso 1 1 calc R U . . .
O5A O 1.085(4) 0.334(3) 0.956(3) 0.276(11) Uani 1 1 d D U . . .
O4A O 0.191(2) 0.118(2) 0.6200(17) 0.178(7) Uani 1 1 d . U . . .
C5A C 0.401(3) 0.235(3) 0.533(2) 0.157(8) Uani 1 1 d . U . . .
H5AA H 0.436645 0.179228 0.500638 0.189 Uiso 1 1 calc R U . . .
H5AB H 0.443789 0.314009 0.484072 0.189 Uiso 1 1 calc R U . . .
C6A C 0.250(3) 0.234(3) 0.555(2) 0.177(8) Uani 1 1 d . U . . .
H6AA H 0.214167 0.288394 0.589115 0.212 Uiso 1 1 calc R U . . .
H6AB H 0.227743 0.260956 0.490300 0.212 Uiso 1 1 calc R U . . .
C7A C 0.222(4) 0.090(3) 0.712(3) 0.195(9) Uani 1 1 d . U . . .
H7AA H 0.177170 0.012472 0.762608 0.234 Uiso 1 1 calc R U . . .
H7AB H 0.187394 0.148580 0.741607 0.234 Uiso 1 1 calc R U . . .
C8A C 0.372(3) 0.089(3) 0.690(2) 0.168(8) Uani 1 1 d . U . . .
H8AA H 0.394770 0.061239 0.755059 0.201 Uiso 1 1 calc R U . . .
H8AB H 0.407365 0.034760 0.655988 0.201 Uiso 1 1 calc R U . . .
C9A C 0.941(6) 0.188(5) 1.120(4) 0.33(2) Uani 1 1 d D U . . .
H9AA H 1.017677 0.167702 1.148587 0.392 Uiso 1 1 calc R U . . .
H9AB H 0.856453 0.176527 1.177207 0.392 Uiso 1 1 calc R U . . .
O10 O 1.443(3) 0.705(4) -0.212(4) 0.182(15) Uani 0.5 1 d . . P A -1
C10A C 1.059(4) 0.131(4) 0.985(3) 0.243(14) Uani 1 1 d D U . . .
H10A H 1.060210 0.075615 0.952106 0.291 Uiso 1 1 calc R U . . .
H10B H 1.135786 0.117703 1.013196 0.291 Uiso 1 1 calc R U . . .
C11A C 1.074(5) 0.256(4) 0.906(3) 0.268(13) Uani 1 1 d D U . . .
H11A H 1.155374 0.267947 0.847020 0.321 Uiso 1 1 calc R U . . .
H11B H 0.993362 0.271692 0.881960 0.321 Uiso 1 1 calc R U . . .
C12A C 0.963(5) 0.314(5) 1.043(4) 0.288(15) Uani 1 1 d D U . . .
H12A H 0.883701 0.333967 1.017655 0.346 Uiso 1 1 calc R U . . .
H12B H 0.970814 0.366487 1.076697 0.346 Uiso 1 1 calc R U . . .


_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 2.210(18) . ?
Ag1 N4 2.22(2) 1_645 ?
Ag1 N7 2.289(15) 1_654 ?
O1 C6 1.16(3) . ?
P1 F2 1.422(18) . ?
P1 F5 1.46(2) . ?
P1 F1 1.48(2) . ?
P1 F6 1.49(2) . ?
P1 F4 1.50(2) . ?
P1 F3 1.524(19) . ?
C1 N1 1.31(3) . ?
C1 C2 1.41(4) . ?
C1 H1 0.9400 . ?
N1 C5 1.34(3) . ?
C2 C3 1.38(3) . ?
C2 H2 0.9400 . ?
O2 C6 1.23(3) . ?
O2 C7 1.48(3) . ?
N2 C16 1.31(3) . ?
N2 C15 1.45(3) . ?
N2 H2A 0.8700 . ?
C3 C4 1.31(3) . ?
C3 C6 1.54(3) . ?
O3 C16 1.24(3) . ?
N3 C23 1.35(3) . ?
N3 C24 1.46(3) . ?
N3 H3 0.8700 . ?
C4 C5 1.35(3) . ?
C4 H4 0.9400 . ?
O4 C23 1.25(3) . ?
N4 C37 1.27(3) . ?
N4 C36 1.37(3) . ?
C5 H5 0.9400 . ?
O5 C33 1.33(3) . ?
O5 C32 1.43(3) . ?
N5 C54 1.38(3) . ?
N5 C39 1.45(2) . ?
N5 H5A 0.8700 . ?
O6A C10A 1.440(14) . ?
O6A C9A 1.458(15) . ?
O6 C33 1.19(2) . ?
C7 C15 1.50(3) . ?
C7 C8 1.52(4) . ?
C7 H7 0.9900 . ?
O7 C54 1.17(2) . ?
N7 C51 1.32(2) . ?
N7 C52 1.37(2) . ?
C8 C9 1.52(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
O9 C48 1.38(2) . ?
O9 C47 1.47(2) . ?
O8 C48 1.18(2) . ?
C9 C10 1.34(4) . ?
C9 C14 1.38(4) . ?
C10 C11 1.45(5) . ?
C10 H10 0.9400 . ?
C11 C12 1.33(5) . ?
C11 H11 0.9400 . ?
C12 C13 1.42(5) . ?
C12 H12 0.9400 . ?
C13 C14 1.36(3) . ?
C13 H13 0.9400 . ?
C14 C15 1.51(3) . ?
C15 H15 0.9900 . ?
C16 C17 1.47(3) . ?
C17 C22 1.32(3) . ?
C17 C18 1.39(3) . ?
C18 C19 1.39(3) . ?
C18 H18 0.9400 . ?
C19 C20 1.36(3) . ?
C19 C54 1.54(3) . ?
C20 C21 1.40(3) . ?
C20 H20 0.9400 . ?
C21 C22 1.43(3) . ?
C21 C23 1.46(3) . ?
C22 H22 0.9400 . ?
C24 C25 1.42(3) . ?
C24 C32 1.62(3) . ?
C24 H24 0.9900 . ?
C25 C30 1.38(3) . ?
C25 C26 1.40(3) . ?
C26 C27 1.38(4) . ?
C26 H26 0.9400 . ?
C27 C28 1.40(4) . ?
C27 H27 0.9400 . ?
C28 C29 1.32(3) . ?
C28 H28 0.9400 . ?
C29 C30 1.41(4) . ?
C29 H29 0.9400 . ?
C30 C31 1.51(3) . ?
C31 C32 1.51(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C32 H32 0.9900 . ?
C33 C34 1.514(14) . ?
C34 C35 1.31(3) . ?
C34 C38 1.40(3) . ?
C35 C36 1.34(3) . ?
C35 H35 0.9400 . ?
C36 H36 0.9400 . ?
C37 C38 1.41(3) . ?
C37 H37 0.9400 . ?
C38 H38 0.9400 . ?
C39 C40 1.48(3) . ?
C39 C47 1.52(3) . ?
C39 H39 0.9900 . ?
C40 C41 1.39(3) . ?
C40 C45 1.41(3) . ?
C41 C42 1.36(4) . ?
C41 H41 0.9400 . ?
C42 C43 1.38(5) . ?
C42 H42 0.9400 . ?
C43 C44 1.43(4) . ?
C43 H43 0.9400 . ?
C44 C45 1.40(4) . ?
C44 H44 0.9400 . ?
C45 C46 1.46(4) . ?
C46 C47 1.61(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C47 H47 0.9900 . ?
C48 C49 1.41(2) . ?
C49 C53 1.35(3) . ?
C49 C50 1.39(3) . ?
C50 C51 1.36(3) . ?
C50 H50 0.9400 . ?
C51 H51 0.9400 . ?
C52 C53 1.39(3) . ?
C52 H52 0.9400 . ?
C53 H53 0.9400 . ?
C1A O1A 1.31(3) . ?
C1A C2A 1.40(4) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
O1A C4A 1.39(4) . ?
C2A O2A 1.49(3) . ?
C2A H2AA 0.9800 . ?
C2A H2AB 0.9800 . ?
O2A C3A 1.41(3) . ?
C3A C4A 1.43(4) . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
O3A C8A 1.41(3) . ?
O3A C5A 1.43(3) . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
O5A C12A 1.441(14) . ?
O5A C11A 1.443(14) . ?
O4A C7A 1.40(4) . ?
O4A C6A 1.42(4) . ?
C5A C6A 1.48(4) . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C7A C8A 1.48(4) . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C9A C12A 1.514(15) . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C10A C11A 1.507(15) . ?
C10A H10A 0.9800 . ?
C10A H10B 0.9800 . ?
C11A H11A 0.9800 . ?
C11A H11B 0.9800 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?

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 N4 134.7(7) . 1_645 ?
N1 Ag1 N7 111.4(7) . 1_654 ?
N4 Ag1 N7 113.9(6) 1_645 1_654 ?
F2 P1 F5 91.2(17) . . ?
F2 P1 F1 93.6(14) . . ?
F5 P1 F1 98(2) . . ?
F2 P1 F6 84.8(16) . . ?
F5 P1 F6 175(2) . . ?
F1 P1 F6 86(2) . . ?
F2 P1 F4 175.7(16) . . ?
F5 P1 F4 91.7(19) . . ?
F1 P1 F4 89.1(14) . . ?
F6 P1 F4 92.2(18) . . ?
F2 P1 F3 90.2(13) . . ?
F5 P1 F3 84.8(18) . . ?
F1 P1 F3 175.3(19) . . ?
F6 P1 F3 92(2) . . ?
F4 P1 F3 86.9(14) . . ?
N1 C1 C2 125(2) . . ?
N1 C1 H1 117.7 . . ?
C2 C1 H1 117.7 . . ?
C1 N1 C5 116(2) . . ?
C1 N1 Ag1 118.0(15) . . ?
C5 N1 Ag1 124.8(17) . . ?
C3 C2 C1 116(2) . . ?
C3 C2 H2 122.2 . . ?
C1 C2 H2 122.2 . . ?
C6 O2 C7 118(2) . . ?
C16 N2 C15 124(2) . . ?
C16 N2 H2A 118.1 . . ?
C15 N2 H2A 118.1 . . ?
C4 C3 C2 119(2) . . ?
C4 C3 C6 120(2) . . ?
C2 C3 C6 121(2) . . ?
C23 N3 C24 122.3(19) . . ?
C23 N3 H3 118.9 . . ?
C24 N3 H3 118.9 . . ?
C3 C4 C5 122(2) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C37 N4 C36 115(2) . . ?
C37 N4 Ag1 121.5(18) . 1_465 ?
C36 N4 Ag1 123.1(19) . 1_465 ?
N1 C5 C4 122(2) . . ?
N1 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
C33 O5 C32 116.5(17) . . ?
C54 N5 C39 120.7(16) . . ?
C54 N5 H5A 119.7 . . ?
C39 N5 H5A 119.7 . . ?
C10A O6A C9A 107.7(14) . . ?
O1 C6 O2 126(3) . . ?
O1 C6 C3 118(3) . . ?
O2 C6 C3 116(2) . . ?
O2 C7 C15 108(2) . . ?
O2 C7 C8 110(2) . . ?
C15 C7 C8 106(2) . . ?
O2 C7 H7 111.0 . . ?
C15 C7 H7 111.0 . . ?
C8 C7 H7 111.0 . . ?
C51 N7 C52 114.3(16) . . ?
C51 N7 Ag1 118.2(15) . 1_456 ?
C52 N7 Ag1 127.1(11) . 1_456 ?
C9 C8 C7 102(2) . . ?
C9 C8 H8A 111.5 . . ?
C7 C8 H8A 111.5 . . ?
C9 C8 H8B 111.5 . . ?
C7 C8 H8B 111.5 . . ?
H8A C8 H8B 109.3 . . ?
C48 O9 C47 117.1(15) . . ?
C10 C9 C14 121(3) . . ?
C10 C9 C8 127(4) . . ?
C14 C9 C8 112(3) . . ?
C9 C10 C11 119(3) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 116(3) . . ?
C12 C11 H11 122.2 . . ?
C10 C11 H11 122.2 . . ?
C11 C12 C13 127(3) . . ?
C11 C12 H12 116.4 . . ?
C13 C12 H12 116.4 . . ?
C14 C13 C12 113(3) . . ?
C14 C13 H13 123.6 . . ?
C12 C13 H13 123.6 . . ?
C13 C14 C9 124(3) . . ?
C13 C14 C15 129(3) . . ?
C9 C14 C15 107(2) . . ?
N2 C15 C7 115.3(19) . . ?
N2 C15 C14 111.7(19) . . ?
C7 C15 C14 105(2) . . ?
N2 C15 H15 108.3 . . ?
C7 C15 H15 108.3 . . ?
C14 C15 H15 108.3 . . ?
O3 C16 N2 124(2) . . ?
O3 C16 C17 121(3) . . ?
N2 C16 C17 115(3) . . ?
C22 C17 C18 119(2) . . ?
C22 C17 C16 121(2) . . ?
C18 C17 C16 120(3) . . ?
C17 C18 C19 122(2) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C20 C19 C18 117.4(18) . . ?
C20 C19 C54 127(2) . . ?
C18 C19 C54 115.5(18) . . ?
C19 C20 C21 123(2) . . ?
C19 C20 H20 118.7 . . ?
C21 C20 H20 118.7 . . ?
C20 C21 C22 116.4(19) . . ?
C20 C21 C23 118(2) . . ?
C22 C21 C23 125.2(19) . . ?
C17 C22 C21 122(2) . . ?
C17 C22 H22 118.9 . . ?
C21 C22 H22 118.9 . . ?
O4 C23 N3 121(2) . . ?
O4 C23 C21 123(2) . . ?
N3 C23 C21 116(2) . . ?
C25 C24 N3 118.2(19) . . ?
C25 C24 C32 104.0(17) . . ?
N3 C24 C32 111.5(19) . . ?
C25 C24 H24 107.5 . . ?
N3 C24 H24 107.5 . . ?
C32 C24 H24 107.5 . . ?
C30 C25 C26 121(2) . . ?
C30 C25 C24 111(2) . . ?
C26 C25 C24 128(2) . . ?
C27 C26 C25 116(2) . . ?
C27 C26 H26 121.8 . . ?
C25 C26 H26 121.8 . . ?
C26 C27 C28 121(3) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C29 C28 C27 122(3) . . ?
C29 C28 H28 119.1 . . ?
C27 C28 H28 119.1 . . ?
C28 C29 C30 118(3) . . ?
C28 C29 H29 121.2 . . ?
C30 C29 H29 121.2 . . ?
C25 C30 C29 121(2) . . ?
C25 C30 C31 110(2) . . ?
C29 C30 C31 129(2) . . ?
C30 C31 C32 103.6(19) . . ?
C30 C31 H31A 111.0 . . ?
C32 C31 H31A 111.0 . . ?
C30 C31 H31B 111.0 . . ?
C32 C31 H31B 111.0 . . ?
H31A C31 H31B 109.0 . . ?
O5 C32 C31 107.6(17) . . ?
O5 C32 C24 108.8(17) . . ?
C31 C32 C24 100.1(19) . . ?
O5 C32 H32 113.2 . . ?
C31 C32 H32 113.2 . . ?
C24 C32 H32 113.2 . . ?
O6 C33 O5 125(2) . . ?
O6 C33 C34 121(2) . . ?
O5 C33 C34 113(2) . . ?
C35 C34 C38 119(2) . . ?
C35 C34 C33 118(2) . . ?
C38 C34 C33 123(2) . . ?
C34 C35 C36 119(2) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C35 C36 N4 125(2) . . ?
C35 C36 H36 117.4 . . ?
N4 C36 H36 117.4 . . ?
N4 C37 C38 124(2) . . ?
N4 C37 H37 117.9 . . ?
C38 C37 H37 117.9 . . ?
C34 C38 C37 117(2) . . ?
C34 C38 H38 121.6 . . ?
C37 C38 H38 121.6 . . ?
N5 C39 C40 114.1(16) . . ?
N5 C39 C47 112.7(15) . . ?
C40 C39 C47 107.4(19) . . ?
N5 C39 H39 107.5 . . ?
C40 C39 H39 107.5 . . ?
C47 C39 H39 107.5 . . ?
C41 C40 C45 122(2) . . ?
C41 C40 C39 127.4(19) . . ?
C45 C40 C39 111(2) . . ?
C42 C41 C40 118(2) . . ?
C42 C41 H41 120.9 . . ?
C40 C41 H41 120.9 . . ?
C41 C42 C43 123(3) . . ?
C41 C42 H42 118.7 . . ?
C43 C42 H42 118.7 . . ?
C42 C43 C44 120(3) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C45 C44 C43 118(3) . . ?
C45 C44 H44 121.0 . . ?
C43 C44 H44 121.0 . . ?
C44 C45 C40 119(3) . . ?
C44 C45 C46 129(3) . . ?
C40 C45 C46 112(2) . . ?
C45 C46 C47 105(2) . . ?
C45 C46 H46A 110.7 . . ?
C47 C46 H46A 110.7 . . ?
C45 C46 H46B 110.7 . . ?
C47 C46 H46B 110.7 . . ?
H46A C46 H46B 108.8 . . ?
O9 C47 C39 111.6(14) . . ?
O9 C47 C46 107.1(19) . . ?
C39 C47 C46 104(2) . . ?
O9 C47 H47 111.2 . . ?
C39 C47 H47 111.2 . . ?
C46 C47 H47 111.2 . . ?
O8 C48 O9 118.3(17) . . ?
O8 C48 C49 129(2) . . ?
O9 C48 C49 112.9(17) . . ?
C53 C49 C50 116.2(16) . . ?
C53 C49 C48 127(2) . . ?
C50 C49 C48 116.1(17) . . ?
C51 C50 C49 118.5(17) . . ?
C51 C50 H50 120.8 . . ?
C49 C50 H50 120.8 . . ?
N7 C51 C50 127(2) . . ?
N7 C51 H51 116.6 . . ?
C50 C51 H51 116.6 . . ?
N7 C52 C53 121.0(16) . . ?
N7 C52 H52 119.5 . . ?
C53 C52 H52 119.5 . . ?
C49 C53 C52 122(2) . . ?
C49 C53 H53 119.0 . . ?
C52 C53 H53 119.0 . . ?
O7 C54 N5 125.6(19) . . ?
O7 C54 C19 124(2) . . ?
N5 C54 C19 109.7(19) . . ?
O1A C1A C2A 122(3) . . ?
O1A C1A H1AA 106.9 . . ?
C2A C1A H1AA 106.9 . . ?
O1A C1A H1AB 106.9 . . ?
C2A C1A H1AB 106.9 . . ?
H1AA C1A H1AB 106.7 . . ?
C1A O1A C4A 114(2) . . ?
C1A C2A O2A 111(2) . . ?
C1A C2A H2AA 109.4 . . ?
O2A C2A H2AA 109.4 . . ?
C1A C2A H2AB 109.4 . . ?
O2A C2A H2AB 109.4 . . ?
H2AA C2A H2AB 108.0 . . ?
C3A O2A C2A 105(2) . . ?
O2A C3A C4A 117(3) . . ?
O2A C3A H3AA 108.1 . . ?
C4A C3A H3AA 108.1 . . ?
O2A C3A H3AB 108.1 . . ?
C4A C3A H3AB 108.1 . . ?
H3AA C3A H3AB 107.3 . . ?
C8A O3A C5A 106(2) . . ?
O1A C4A C3A 109(3) . . ?
O1A C4A H4AA 110.0 . . ?
C3A C4A H4AA 110.0 . . ?
O1A C4A H4AB 110.0 . . ?
C3A C4A H4AB 110.0 . . ?
H4AA C4A H4AB 108.3 . . ?
C12A O5A C11A 109.0(14) . . ?
C7A O4A C6A 106(2) . . ?
O3A C5A C6A 110(2) . . ?
O3A C5A H5AA 109.7 . . ?
C6A C5A H5AA 109.7 . . ?
O3A C5A H5AB 109.7 . . ?
C6A C5A H5AB 109.7 . . ?
H5AA C5A H5AB 108.2 . . ?
O4A C6A C5A 109(3) . . ?
O4A C6A H6AA 109.9 . . ?
C5A C6A H6AA 109.9 . . ?
O4A C6A H6AB 109.9 . . ?
C5A C6A H6AB 109.9 . . ?
H6AA C6A H6AB 108.3 . . ?
O4A C7A C8A 109(3) . . ?
O4A C7A H7AA 109.9 . . ?
C8A C7A H7AA 109.9 . . ?
O4A C7A H7AB 109.9 . . ?
C8A C7A H7AB 109.9 . . ?
H7AA C7A H7AB 108.3 . . ?
O3A C8A C7A 110(3) . . ?
O3A C8A H8AA 109.8 . . ?
C7A C8A H8AA 109.8 . . ?
O3A C8A H8AB 109.8 . . ?
C7A C8A H8AB 109.8 . . ?
H8AA C8A H8AB 108.2 . . ?
O6A C9A C12A 108(4) . . ?
O6A C9A H9AA 110.2 . . ?
C12A C9A H9AA 110.2 . . ?
O6A C9A H9AB 110.2 . . ?
C12A C9A H9AB 110.2 . . ?
H9AA C9A H9AB 108.5 . . ?
O6A C10A C11A 109(3) . . ?
O6A C10A H10A 109.9 . . ?
C11A C10A H10A 109.9 . . ?
O6A C10A H10B 109.9 . . ?
C11A C10A H10B 109.9 . . ?
H10A C10A H10B 108.3 . . ?
O5A C11A C10A 108(3) . . ?
O5A C11A H11A 110.2 . . ?
C10A C11A H11A 110.2 . . ?
O5A C11A H11B 110.2 . . ?
C10A C11A H11B 110.2 . . ?
H11A C11A H11B 108.5 . . ?
O5A C12A C9A 112(4) . . ?
O5A C12A H12A 109.2 . . ?
C9A C12A H12A 109.2 . . ?
O5A C12A H12B 109.2 . . ?
C9A C12A H12B 109.2 . . ?
H12A C12A H12B 107.9 . . ?

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
C2 C1 N1 C5 -1(4) . . . . ?
C2 C1 N1 Ag1 170(2) . . . . ?
N1 C1 C2 C3 0(4) . . . . ?
C1 C2 C3 C4 2(4) . . . . ?
C1 C2 C3 C6 -176(2) . . . . ?
C2 C3 C4 C5 -3(4) . . . . ?
C6 C3 C4 C5 174(2) . . . . ?
C1 N1 C5 C4 0(4) . . . . ?
Ag1 N1 C5 C4 -170(2) . . . . ?
C3 C4 C5 N1 2(4) . . . . ?
C7 O2 C6 O1 5(5) . . . . ?
C7 O2 C6 C3 -169(2) . . . . ?
C4 C3 C6 O1 -179(3) . . . . ?
C2 C3 C6 O1 -2(4) . . . . ?
C4 C3 C6 O2 -5(4) . . . . ?
C2 C3 C6 O2 172(2) . . . . ?
C6 O2 C7 C15 -154(3) . . . . ?
C6 O2 C7 C8 91(3) . . . . ?
O2 C7 C8 C9 143(2) . . . . ?
C15 C7 C8 C9 26(2) . . . . ?
C7 C8 C9 C10 165(3) . . . . ?
C7 C8 C9 C14 -15(3) . . . . ?
C14 C9 C10 C11 -4(4) . . . . ?
C8 C9 C10 C11 175(3) . . . . ?
C9 C10 C11 C12 4(4) . . . . ?
C10 C11 C12 C13 1(5) . . . . ?
C11 C12 C13 C14 -5(4) . . . . ?
C12 C13 C14 C9 4(3) . . . . ?
C12 C13 C14 C15 -173(2) . . . . ?
C10 C9 C14 C13 0(4) . . . . ?
C8 C9 C14 C13 -180(2) . . . . ?
C10 C9 C14 C15 177(2) . . . . ?
C8 C9 C14 C15 -2(3) . . . . ?
C16 N2 C15 C7 152(3) . . . . ?
C16 N2 C15 C14 -89(3) . . . . ?
O2 C7 C15 N2 -23(3) . . . . ?
C8 C7 C15 N2 95(2) . . . . ?
O2 C7 C15 C14 -146(2) . . . . ?
C8 C7 C15 C14 -29(3) . . . . ?
C13 C14 C15 N2 71(3) . . . . ?
C9 C14 C15 N2 -106(2) . . . . ?
C13 C14 C15 C7 -164(2) . . . . ?
C9 C14 C15 C7 19(3) . . . . ?
C15 N2 C16 O3 6(4) . . . . ?
C15 N2 C16 C17 179(2) . . . . ?
O3 C16 C17 C22 32(4) . . . . ?
N2 C16 C17 C22 -141(3) . . . . ?
O3 C16 C17 C18 -144(2) . . . . ?
N2 C16 C17 C18 43(3) . . . . ?
C22 C17 C18 C19 2(3) . . . . ?
C16 C17 C18 C19 178(2) . . . . ?
C17 C18 C19 C20 0(3) . . . . ?
C17 C18 C19 C54 -178.4(19) . . . . ?
C18 C19 C20 C21 -4(3) . . . . ?
C54 C19 C20 C21 175(2) . . . . ?
C19 C20 C21 C22 5(3) . . . . ?
C19 C20 C21 C23 -177(2) . . . . ?
C18 C17 C22 C21 -1(4) . . . . ?
C16 C17 C22 C21 -177(2) . . . . ?
C20 C21 C22 C17 -2(3) . . . . ?
C23 C21 C22 C17 -180(2) . . . . ?
C24 N3 C23 O4 1(4) . . . . ?
C24 N3 C23 C21 -174(2) . . . . ?
C20 C21 C23 O4 43(3) . . . . ?
C22 C21 C23 O4 -140(2) . . . . ?
C20 C21 C23 N3 -143(2) . . . . ?
C22 C21 C23 N3 35(3) . . . . ?
C23 N3 C24 C25 -141(2) . . . . ?
C23 N3 C24 C32 98(2) . . . . ?
N3 C24 C25 C30 -144(2) . . . . ?
C32 C24 C25 C30 -20(2) . . . . ?
N3 C24 C25 C26 31(4) . . . . ?
C32 C24 C25 C26 155(2) . . . . ?
C30 C25 C26 C27 -9(3) . . . . ?
C24 C25 C26 C27 177(2) . . . . ?
C25 C26 C27 C28 9(4) . . . . ?
C26 C27 C28 C29 -10(4) . . . . ?
C27 C28 C29 C30 9(4) . . . . ?
C26 C25 C30 C29 9(3) . . . . ?
C24 C25 C30 C29 -176(2) . . . . ?
C26 C25 C30 C31 -176(2) . . . . ?
C24 C25 C30 C31 -1(3) . . . . ?
C28 C29 C30 C25 -9(4) . . . . ?
C28 C29 C30 C31 177(3) . . . . ?
C25 C30 C31 C32 22(2) . . . . ?
C29 C30 C31 C32 -163(2) . . . . ?
C33 O5 C32 C31 151.2(18) . . . . ?
C33 O5 C32 C24 -101.3(19) . . . . ?
C30 C31 C32 O5 82(2) . . . . ?
C30 C31 C32 C24 -31(2) . . . . ?
C25 C24 C32 O5 -81(2) . . . . ?
N3 C24 C32 O5 48(2) . . . . ?
C25 C24 C32 C31 32(2) . . . . ?
N3 C24 C32 C31 160.3(18) . . . . ?
C32 O5 C33 O6 2(3) . . . . ?
C32 O5 C33 C34 176.4(16) . . . . ?
O6 C33 C34 C35 5(3) . . . . ?
O5 C33 C34 C35 -169(2) . . . . ?
O6 C33 C34 C38 -166(2) . . . . ?
O5 C33 C34 C38 20(3) . . . . ?
C38 C34 C35 C36 -7(4) . . . . ?
C33 C34 C35 C36 -178(2) . . . . ?
C34 C35 C36 N4 5(4) . . . . ?
C37 N4 C36 C35 -3(4) . . . . ?
Ag1 N4 C36 C35 171(2) 1_465 . . . ?
C36 N4 C37 C38 4(3) . . . . ?
Ag1 N4 C37 C38 -170.4(18) 1_465 . . . ?
C35 C34 C38 C37 8(3) . . . . ?
C33 C34 C38 C37 179(2) . . . . ?
N4 C37 C38 C34 -7(4) . . . . ?
C54 N5 C39 C40 -117.9(19) . . . . ?
C54 N5 C39 C47 119(2) . . . . ?
N5 C39 C40 C41 53(2) . . . . ?
C47 C39 C40 C41 178.7(16) . . . . ?
N5 C39 C40 C45 -130.7(17) . . . . ?
C47 C39 C40 C45 -5.1(19) . . . . ?
C45 C40 C41 C42 1(3) . . . . ?
C39 C40 C41 C42 176.7(18) . . . . ?
C40 C41 C42 C43 -2(3) . . . . ?
C41 C42 C43 C44 4(4) . . . . ?
C42 C43 C44 C45 -5(3) . . . . ?
C43 C44 C45 C40 4(3) . . . . ?
C43 C44 C45 C46 -175(3) . . . . ?
C41 C40 C45 C44 -2(3) . . . . ?
C39 C40 C45 C44 -178.5(17) . . . . ?
C41 C40 C45 C46 177(2) . . . . ?
C39 C40 C45 C46 1(3) . . . . ?
C44 C45 C46 C47 -177(2) . . . . ?
C40 C45 C46 C47 4(3) . . . . ?
C48 O9 C47 C39 -156.9(18) . . . . ?
C48 O9 C47 C46 89(2) . . . . ?
N5 C39 C47 O9 18(3) . . . . ?
C40 C39 C47 O9 -108.4(19) . . . . ?
N5 C39 C47 C46 133.4(19) . . . . ?
C40 C39 C47 C46 7(2) . . . . ?
C45 C46 C47 O9 112(2) . . . . ?
C45 C46 C47 C39 -6(3) . . . . ?
C47 O9 C48 O8 -5(3) . . . . ?
C47 O9 C48 C49 170.5(18) . . . . ?
O8 C48 C49 C53 -172(2) . . . . ?
O9 C48 C49 C53 13(3) . . . . ?
O8 C48 C49 C50 -1(3) . . . . ?
O9 C48 C49 C50 -176.5(17) . . . . ?
C53 C49 C50 C51 -7(3) . . . . ?
C48 C49 C50 C51 -178.6(18) . . . . ?
C52 N7 C51 C50 -11(3) . . . . ?
Ag1 N7 C51 C50 162.0(17) 1_456 . . . ?
C49 C50 C51 N7 9(3) . . . . ?
C51 N7 C52 C53 10(2) . . . . ?
Ag1 N7 C52 C53 -162.0(13) 1_456 . . . ?
C50 C49 C53 C52 7(3) . . . . ?
C48 C49 C53 C52 177.7(18) . . . . ?
N7 C52 C53 C49 -9(3) . . . . ?
C39 N5 C54 O7 -5(3) . . . . ?
C39 N5 C54 C19 -177.4(16) . . . . ?
C20 C19 C54 O7 -150(2) . . . . ?
C18 C19 C54 O7 29(3) . . . . ?
C20 C19 C54 N5 23(3) . . . . ?
C18 C19 C54 N5 -158.4(17) . . . . ?
C2A C1A O1A C4A -45(5) . . . . ?
O1A C1A C2A O2A 46(5) . . . . ?
C1A C2A O2A C3A -48(4) . . . . ?
C2A O2A C3A C4A 58(3) . . . . ?
C1A O1A C4A C3A 46(4) . . . . ?
O2A C3A C4A O1A -58(4) . . . . ?
C8A O3A C5A C6A 61(3) . . . . ?
C7A O4A C6A C5A 63(3) . . . . ?
O3A C5A C6A O4A -63(3) . . . . ?
C6A O4A C7A C8A -64(4) . . . . ?
C5A O3A C8A C7A -61(3) . . . . ?
O4A C7A C8A O3A 65(4) . . . . ?
C10A O6A C9A C12A 61(5) . . . . ?
C9A O6A C10A C11A -66(4) . . . . ?
C12A O5A C11A C10A -60(5) . . . . ?
O6A C10A C11A O5A 65(4) . . . . ?
C11A O5A C12A C9A 59(5) . . . . ?
O6A C9A C12A O5A -58(5) . . . . ?

_refine_diff_density_max         0.737
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.066
























