# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 1919380'
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Melbourne
Australia
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT972_shelx               
;
PROBLEM: Check Calcd Resid. Dens.  0.69A   From Ag2            -3.80 eA-3
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
_vrf_PLAT973_shelx               
;
PROBLEM: Check Calcd Positive Resid. Density on       Ag4       2.72 eA-3
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
_vrf_RINTA01_shelx               
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
_vrf_PLAT020_shelx               
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.205 Report
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
_vrf_PLAT342_shelx               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02833 Ang.
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
_vrf_PLAT971_shelx               
;
PROBLEM: Check Calcd Resid. Dens.  1.87A   From Ag2             2.76 eA-3
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
_vrf_PLAT972_shelx_2             
;
PROBLEM: Check Calcd Resid. Dens.  0.75A   From Ag1            -3.35 eA-3
RESPONSE: The data for this compound is poor, the R(int) is notably high, presumably due to solvent loss during the crystal selection stage. The data present herein is sufficient for discussion of molecular connectivity, however, it is not appropriate for a detailed discussion of bond lengths etc to be made. Numerous level A and B checkcif alerts emanate from sizeable peaks and holes of electron density proximal to the atoms of the Ag10 core.
;
# Added during the CSD deposition process: Wednesday 29 May 2019 04:05 AM
# end Validation Reply Form

_audit_creation_date             2019-05-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Ag10H8(dppa)6](BF4)2'
_chemical_formula_moiety         'C144 H126 Ag10 N6 P12, 4(C H2 Cl2), 2(B F4)'
_chemical_formula_sum            'C148 H134 Ag10 B2 Cl8 F8 N6 P12'
_chemical_formula_weight         3904.16
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   28.1498(7)
_cell_length_b                   17.1737(3)
_cell_length_c                   30.4308(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14711.4(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15798
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      73.8480
_cell_measurement_theta_min      2.9000
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.513
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7728
_exptl_crystal_size_max          0.376
_exptl_crystal_size_mid          0.267
_exptl_crystal_size_min          0.195
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2045
_diffrn_reflns_av_unetI/netI     0.1209
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            73646
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.298
_diffrn_reflns_theta_min         2.904
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10180
_reflns_number_total             15461
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.726
_refine_diff_density_min         -3.625
_refine_diff_density_rms         0.320
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     874
_refine_ls_number_reflns         15461
_refine_ls_number_restraints     1001
_refine_ls_R_factor_all          0.1637
_refine_ls_R_factor_gt           0.1210
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1854P)²+224.3415P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3062
_refine_ls_wR_factor_ref         0.3495
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Secondary CH2 refined with riding coordinates:
 C74(H74A,H74B), C73(H73A,H73B)
4.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N3(H3), N2(H2), C42(H42), C56(H56), C11(H11), C12(H12), C2(H2A),
 C28(H28), C41(H41), C48(H48), C10(H10), C35(H35), C6(H6), C36(H36), C54(H54),
 C20(H20), C60(H60), C53(H53), C17(H17), C18(H18), C5(H5), C47(H47), C34(H34),
 C32(H32), C44(H44), C4(H4), C64(H64), C57(H57), C21(H21), C52(H52), C50(H50),
 C59(H59), C38(H38), C3(H3A), C8(H8), C14(H14), C39(H39), C58(H58), C45(H45),
 C9(H9), C46(H46), C30(H30), C68(H68), C15(H15), C22(H22), C26(H26), C24(H24),
 C70(H70), C27(H27), C71(H71), C16(H16), C51(H51), C72(H72), C23(H23), C40(H40),
  C33(H33), C69(H69), C29(H29), C62(H62), C63(H63), C65(H65), C66(H66)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.62026(3) 0.60705(5) 0.24275(3) 0.0337(3) Uani 1 1 d . U . . .
Ag4 Ag 0.54574(4) 0.50083(6) 0.26591(4) 0.0380(3) Uani 1 1 d . U . . .
Ag2 Ag 0.54290(3) 0.71253(6) 0.22730(4) 0.0377(3) Uani 1 1 d . U . . .
Ag3 Ag 0.55040(4) 0.64496(6) 0.31307(3) 0.0412(3) Uani 1 1 d . U . . .
Ag5 Ag 0.54226(4) 0.56872(6) 0.17896(4) 0.0421(3) Uani 1 1 d . U . . .
P3 P 0.59246(12) 0.83088(19) 0.23031(12) 0.0346(7) Uani 1 1 d . U . . .
P6 P 0.59428(12) 0.38202(19) 0.25636(12) 0.0348(7) Uani 1 1 d . U . . .
P4 P 0.67266(12) 0.72230(19) 0.25551(12) 0.0354(7) Uani 1 1 d . U . . .
P5 P 0.67216(12) 0.49232(19) 0.22612(13) 0.0366(7) Uani 1 1 d . U . . .
P1 P 0.46105(16) 0.5770(2) 0.40307(13) 0.0454(9) Uani 1 1 d . U . . .
P2 P 0.55975(16) 0.6420(2) 0.39382(13) 0.0454(9) Uani 1 1 d . U . . .
Cl1 Cl 0.8671(2) 0.3425(3) 0.5566(2) 0.0828(15) Uani 1 1 d . U . . .
Cl2 Cl 0.7861(3) 0.2642(4) 0.5175(2) 0.0910(17) Uani 1 1 d . U . . .
Cl4 Cl 0.9993(2) 0.5590(3) 0.44118(19) 0.0825(15) Uani 1 1 d . U . . .
Cl3 Cl 0.9445(3) 0.6786(4) 0.4847(3) 0.111(3) Uani 1 1 d . U . . .
N1 N 0.5128(5) 0.6095(8) 0.4240(4) 0.047(2) Uani 1 1 d . U . . .
H1 H 0.515733 0.609766 0.452793 0.057 Uiso 1 1 calc R . . . .
N3 N 0.6506(4) 0.4028(7) 0.2377(4) 0.040(2) Uani 1 1 d . U . . .
H3 H 0.669965 0.363112 0.233923 0.048 Uiso 1 1 calc R . . . .
N2 N 0.6496(4) 0.8117(7) 0.2472(4) 0.038(2) Uani 1 1 d . U . . .
H2 H 0.668356 0.851820 0.251889 0.046 Uiso 1 1 calc R . . . .
F2 F 0.7892(5) 0.4867(7) 0.4544(6) 0.092(4) Uani 1 1 d . U . . .
F1 F 0.8450(5) 0.5329(7) 0.4999(5) 0.082(3) Uani 1 1 d . U . . .
F3 F 0.8356(6) 0.5838(10) 0.4333(6) 0.112(5) Uani 1 1 d . U . . .
C42 C 0.7023(6) 0.6599(9) 0.3345(6) 0.046(3) Uani 1 1 d . U . . .
H42 H 0.687966 0.613611 0.323674 0.055 Uiso 1 1 calc R . . . .
C56 C 0.6844(6) 0.5475(9) 0.1411(6) 0.048(3) Uani 1 1 d . U . . .
H56 H 0.665507 0.589917 0.150897 0.058 Uiso 1 1 calc R . . . .
C61 C 0.5746(6) 0.3089(8) 0.2176(5) 0.042(3) Uani 1 1 d . U . . .
F4 F 0.7816(6) 0.6059(8) 0.4848(7) 0.115(5) Uani 1 1 d . U . . .
C25 C 0.5767(6) 0.9088(8) 0.2677(5) 0.042(3) Uani 1 1 d . U . . .
C43 C 0.7236(6) 0.7231(8) 0.2176(6) 0.045(3) Uani 1 1 d . U . . .
C1 C 0.4153(6) 0.6356(9) 0.4308(5) 0.048(3) Uani 1 1 d . U . . .
C7 C 0.4550(6) 0.4809(9) 0.4300(5) 0.048(3) Uani 1 1 d . U . . .
C67 C 0.6021(6) 0.3248(8) 0.3071(5) 0.043(3) Uani 1 1 d . U . . .
C11 C 0.4872(7) 0.3663(10) 0.4635(5) 0.053(3) Uani 1 1 d . U . . .
H11 H 0.513606 0.338248 0.474830 0.064 Uiso 1 1 calc R . . . .
C31 C 0.5979(5) 0.8827(7) 0.1776(5) 0.039(2) Uani 1 1 d . U . . .
C12 C 0.4940(7) 0.4425(9) 0.4465(5) 0.049(3) Uani 1 1 d . U . . .
H12 H 0.524455 0.466265 0.446468 0.058 Uiso 1 1 calc R . . . .
C37 C 0.7004(5) 0.7289(8) 0.3096(5) 0.041(3) Uani 1 1 d . U . . .
C2 C 0.3993(6) 0.6228(9) 0.4724(5) 0.047(3) Uani 1 1 d . U . . .
H2A H 0.410005 0.578525 0.488183 0.057 Uiso 1 1 calc R . . . .
C28 C 0.5535(6) 1.0256(13) 0.3279(7) 0.064(4) Uani 1 1 d . U . . .
H28 H 0.546400 1.065256 0.348586 0.076 Uiso 1 1 calc R . . . .
C41 C 0.7251(6) 0.6599(11) 0.3750(6) 0.053(3) Uani 1 1 d . U . . .
H41 H 0.726994 0.613095 0.391522 0.063 Uiso 1 1 calc R . . . .
C13 C 0.6082(7) 0.5806(10) 0.4140(6) 0.054(3) Uani 1 1 d . U . . .
C48 C 0.7708(6) 0.7059(10) 0.2300(7) 0.059(4) Uani 1 1 d . U . . .
H48 H 0.778575 0.697463 0.260019 0.070 Uiso 1 1 calc R . . . .
C10 C 0.4449(8) 0.3344(10) 0.4638(6) 0.058(4) Uani 1 1 d . U . . .
H10 H 0.441221 0.284169 0.476375 0.070 Uiso 1 1 calc R . . . .
C35 C 0.6395(6) 0.9612(11) 0.1253(6) 0.054(4) Uani 1 1 d . U . . .
H35 H 0.666723 0.990288 0.116877 0.065 Uiso 1 1 calc R . . . .
C49 C 0.7277(6) 0.4905(9) 0.2587(6) 0.049(3) Uani 1 1 d . U . . .
C6 C 0.4007(7) 0.7027(9) 0.4073(6) 0.055(4) Uani 1 1 d . U . . .
H6 H 0.412909 0.713067 0.378782 0.066 Uiso 1 1 calc R . . . .
C36 C 0.6388(6) 0.9223(10) 0.1642(6) 0.049(3) Uani 1 1 d . U . . .
H36 H 0.666179 0.922036 0.182432 0.059 Uiso 1 1 calc R . . . .
C54 C 0.7701(6) 0.5154(10) 0.2422(8) 0.063(4) Uani 1 1 d . U . . .
H54 H 0.772381 0.526907 0.211686 0.075 Uiso 1 1 calc R . . . .
C20 C 0.5410(7) 0.7798(10) 0.4399(6) 0.056(3) Uani 1 1 d . U . . .
H20 H 0.510461 0.758699 0.445624 0.068 Uiso 1 1 calc R . . . .
C60 C 0.7183(7) 0.4223(10) 0.1541(6) 0.056(4) Uani 1 1 d . U . . .
H60 H 0.724219 0.379072 0.172828 0.067 Uiso 1 1 calc R . . . .
C53 C 0.8097(7) 0.5245(11) 0.2684(10) 0.080(5) Uani 1 1 d . U . . .
H53 H 0.839372 0.539904 0.256281 0.096 Uiso 1 1 calc R . . . .
C17 C 0.6479(8) 0.4559(12) 0.4063(7) 0.072(5) Uani 1 1 d . U . . .
H17 H 0.651023 0.407223 0.391743 0.087 Uiso 1 1 calc R . . . .
C18 C 0.6134(8) 0.5095(10) 0.3933(6) 0.061(4) Uani 1 1 d . U . . .
H18 H 0.592880 0.496653 0.369613 0.073 Uiso 1 1 calc R . . . .
C5 C 0.3676(8) 0.7541(10) 0.4270(7) 0.063(5) Uani 1 1 d . U . . .
H5 H 0.356733 0.798355 0.411268 0.076 Uiso 1 1 calc R . . . .
C47 C 0.8049(7) 0.7015(11) 0.1987(8) 0.068(4) Uani 1 1 d . U . . .
H47 H 0.836859 0.692107 0.207186 0.082 Uiso 1 1 calc R . . . .
C34 C 0.6006(7) 0.9578(11) 0.0985(6) 0.060(4) Uani 1 1 d . U . . .
H34 H 0.601543 0.983906 0.070985 0.072 Uiso 1 1 calc R . . . .
C32 C 0.5598(7) 0.8793(12) 0.1503(6) 0.061(5) Uani 1 1 d . U . . .
H32 H 0.532568 0.850257 0.158760 0.073 Uiso 1 1 calc R . . . .
C44 C 0.7140(7) 0.7324(9) 0.1728(6) 0.054(3) Uani 1 1 d . U . . .
H44 H 0.682613 0.743087 0.163016 0.065 Uiso 1 1 calc R . . . .
C4 C 0.3508(7) 0.7402(10) 0.4693(7) 0.059(4) Uani 1 1 d . U . . .
H4 H 0.328665 0.774818 0.482514 0.071 Uiso 1 1 calc R . . . .
C64 C 0.5480(8) 0.1947(13) 0.1570(7) 0.070(5) Uani 1 1 d . U . . .
H64 H 0.536859 0.157850 0.136108 0.085 Uiso 1 1 calc R . . . .
C19 C 0.5737(7) 0.7377(10) 0.4156(5) 0.051(3) Uani 1 1 d . U . . .
C57 C 0.7022(6) 0.5477(10) 0.0988(6) 0.051(3) Uani 1 1 d . U . . .
H57 H 0.697250 0.591565 0.080296 0.061 Uiso 1 1 calc R . . . .
C21 C 0.5530(8) 0.8530(11) 0.4558(6) 0.059(4) Uani 1 1 d . U . . .
H21 H 0.530557 0.882064 0.472344 0.071 Uiso 1 1 calc R . . . .
C52 C 0.8047(8) 0.5100(10) 0.3143(10) 0.083(5) Uani 1 1 d . U . . .
H52 H 0.831343 0.515788 0.333175 0.100 Uiso 1 1 calc R . . . .
C50 C 0.7223(8) 0.4771(10) 0.3040(7) 0.060(4) Uani 1 1 d . U . . .
H50 H 0.692379 0.461192 0.315344 0.072 Uiso 1 1 calc R . . . .
C59 C 0.7342(8) 0.4223(11) 0.1111(6) 0.062(4) Uani 1 1 d . U . . .
H59 H 0.750605 0.378096 0.100110 0.074 Uiso 1 1 calc R . . . .
C38 C 0.7209(8) 0.7964(10) 0.3247(7) 0.068(6) Uani 1 1 d . U . . .
H38 H 0.720149 0.843317 0.308187 0.082 Uiso 1 1 calc R . . . .
C3 C 0.3668(8) 0.6747(10) 0.4922(6) 0.061(5) Uani 1 1 d . U . . .
H3A H 0.355782 0.665073 0.521200 0.073 Uiso 1 1 calc R . . . .
C8 C 0.4107(7) 0.4468(9) 0.4289(6) 0.056(4) Uani 1 1 d . U . . .
H8 H 0.384309 0.473768 0.416703 0.067 Uiso 1 1 calc R . . . .
C14 C 0.6366(7) 0.5974(11) 0.4488(6) 0.058(4) Uani 1 1 d . U . . .
H14 H 0.631776 0.644537 0.464437 0.070 Uiso 1 1 calc R . . . .
C39 C 0.7434(9) 0.7917(13) 0.3667(8) 0.079(7) Uani 1 1 d . U . . .
H39 H 0.758119 0.837039 0.378314 0.094 Uiso 1 1 calc R . . . .
C58 C 0.7267(6) 0.4857(10) 0.0837(6) 0.054(3) Uani 1 1 d . U . . .
H58 H 0.738678 0.485361 0.054540 0.065 Uiso 1 1 calc R . . . .
C45 C 0.7496(8) 0.7260(11) 0.1438(7) 0.066(4) Uani 1 1 d . U . . .
H45 H 0.742914 0.732948 0.113484 0.079 Uiso 1 1 calc R . . . .
C9 C 0.4051(8) 0.3712(10) 0.4463(7) 0.066(4) Uani 1 1 d . U . . .
H9 H 0.375024 0.346134 0.446121 0.079 Uiso 1 1 calc R . . . .
C46 C 0.7947(9) 0.7099(13) 0.1562(9) 0.079(5) Uani 1 1 d . U . . .
H46 H 0.818982 0.704769 0.134749 0.095 Uiso 1 1 calc R . . . .
C30 C 0.5645(9) 0.9827(10) 0.2530(7) 0.069(6) Uani 1 1 d . U . . .
H30 H 0.563789 0.994319 0.222481 0.083 Uiso 1 1 calc R . . . .
C68 C 0.5674(8) 0.3268(11) 0.3364(7) 0.070(6) Uani 1 1 d . U . . .
H68 H 0.540747 0.359839 0.332038 0.084 Uiso 1 1 calc R . . . .
C15 C 0.6743(8) 0.5449(13) 0.4626(8) 0.072(5) Uani 1 1 d . U . . .
H15 H 0.695629 0.558131 0.485625 0.087 Uiso 1 1 calc R . . . .
C22 C 0.5986(8) 0.8842(11) 0.4474(7) 0.065(4) Uani 1 1 d . U . . .
H22 H 0.607635 0.933856 0.458309 0.078 Uiso 1 1 calc R . . . .
C26 C 0.5758(10) 0.8954(12) 0.3122(6) 0.075(6) Uani 1 1 d . U . . .
H26 H 0.583536 0.844912 0.322809 0.090 Uiso 1 1 calc R . . . .
C24 C 0.6189(8) 0.7693(10) 0.4068(7) 0.061(4) Uani 1 1 d . U . . .
H24 H 0.641962 0.741961 0.389969 0.073 Uiso 1 1 calc R . . . .
C70 C 0.6111(9) 0.2328(11) 0.3805(7) 0.074(5) Uani 1 1 d . U . . .
H70 H 0.615544 0.205071 0.407180 0.089 Uiso 1 1 calc R . . . .
C27 C 0.5643(9) 0.9514(13) 0.3411(7) 0.071(5) Uani 1 1 d . U . . .
H27 H 0.563714 0.939249 0.371596 0.085 Uiso 1 1 calc R . . . .
C71 C 0.6429(9) 0.2281(12) 0.3490(8) 0.075(6) Uani 1 1 d . U . . .
H71 H 0.668898 0.193242 0.351638 0.090 Uiso 1 1 calc R . . . .
C16 C 0.6774(7) 0.4753(12) 0.4406(7) 0.067(4) Uani 1 1 d . U . . .
H16 H 0.700917 0.438879 0.449451 0.081 Uiso 1 1 calc R . . . .
C51 C 0.7608(8) 0.4872(12) 0.3320(8) 0.075(4) Uani 1 1 d . U . . .
H51 H 0.757472 0.478802 0.362746 0.090 Uiso 1 1 calc R . . . .
C72 C 0.6384(8) 0.2740(13) 0.3119(8) 0.073(6) Uani 1 1 d . U . . .
H72 H 0.661393 0.269731 0.289211 0.088 Uiso 1 1 calc R . . . .
C23 C 0.6278(9) 0.8417(12) 0.4239(8) 0.074(5) Uani 1 1 d . U . . .
H23 H 0.658260 0.863289 0.418152 0.089 Uiso 1 1 calc R . . . .
C40 C 0.7445(7) 0.7251(12) 0.3907(7) 0.062(4) Uani 1 1 d . U . . .
H40 H 0.759188 0.724900 0.418859 0.074 Uiso 1 1 calc R . . . .
C33 C 0.5603(8) 0.9181(14) 0.1101(7) 0.074(6) Uani 1 1 d . U . . .
H33 H 0.533466 0.917025 0.091164 0.089 Uiso 1 1 calc R . . . .
C69 C 0.5703(11) 0.2795(14) 0.3743(8) 0.094(8) Uani 1 1 d . U . . .
H69 H 0.545319 0.279104 0.395254 0.113 Uiso 1 1 calc R . . . .
C29 C 0.5532(10) 1.0402(12) 0.2844(8) 0.085(7) Uani 1 1 d . U . . .
H29 H 0.545159 1.090969 0.274593 0.102 Uiso 1 1 calc R . . . .
C74 C 0.9455(10) 0.5847(14) 0.4660(10) 0.087(7) Uani 1 1 d . U . . .
H74A H 0.919459 0.577596 0.444519 0.105 Uiso 1 1 calc R . . . .
H74B H 0.939468 0.549119 0.491003 0.105 Uiso 1 1 calc R . . . .
C73 C 0.8117(9) 0.3555(12) 0.5334(9) 0.081(5) Uani 1 1 d . U . . .
H73A H 0.814577 0.389509 0.507293 0.098 Uiso 1 1 calc R . . . .
H73B H 0.790602 0.381597 0.554826 0.098 Uiso 1 1 calc R . . . .
B1 B 0.8120(8) 0.5523(11) 0.4675(9) 0.063(4) Uani 1 1 d . U . . .
C62 C 0.5573(13) 0.2393(14) 0.2301(8) 0.116(13) Uani 1 1 d . U . . .
H62 H 0.552193 0.228384 0.260339 0.139 Uiso 1 1 calc R . . . .
C63 C 0.5468(11) 0.1818(13) 0.1976(8) 0.092(9) Uani 1 1 d . U . . .
H63 H 0.538355 0.130977 0.207240 0.110 Uiso 1 1 calc R . . . .
C65 C 0.5659(15) 0.2631(17) 0.1452(8) 0.125(14) Uani 1 1 d . U . . .
H65 H 0.570720 0.272532 0.114725 0.150 Uiso 1 1 calc R . . . .
C66 C 0.5776(15) 0.3200(15) 0.1737(8) 0.119(13) Uani 1 1 d . U . . .
H66 H 0.588107 0.368884 0.162778 0.143 Uiso 1 1 calc R . . . .
C55 C 0.6937(5) 0.4864(8) 0.1692(6) 0.043(3) Uani 1 1 d . 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 Ag4 2.8679(14) . ?
Ag1 Ag2 2.8714(14) . ?
Ag1 Ag3 2.9783(14) . ?
Ag1 Ag5 3.0037(14) . ?
Ag1 P4 2.499(3) . ?
Ag1 P5 2.505(3) . ?
Ag4 Ag4 2.751(2) 3_655 ?
Ag4 Ag3 2.8642(14) . ?
Ag4 Ag5 2.8929(15) . ?
Ag4 Ag5 3.2109(15) 3_655 ?
Ag4 P6 2.473(3) . ?
Ag2 Ag2 2.782(2) 3_655 ?
Ag2 Ag3 2.8639(15) . ?
Ag2 Ag3 3.1230(15) 3_655 ?
Ag2 Ag5 2.8747(15) . ?
Ag2 P3 2.467(3) . ?
Ag3 Ag5 2.9287(16) 3_655 ?
Ag3 P2 2.472(4) . ?
Ag5 P1 2.502(4) 3_655 ?
P3 N2 1.721(13) . ?
P3 C25 1.812(15) . ?
P3 C31 1.841(15) . ?
P6 N3 1.721(13) . ?
P6 C61 1.808(15) . ?
P6 C67 1.845(16) . ?
P4 N2 1.685(12) . ?
P4 C43 1.841(16) . ?
P4 C37 1.827(16) . ?
P5 N3 1.691(12) . ?
P5 C49 1.853(17) . ?
P5 C55 1.836(17) . ?
P1 N1 1.684(15) . ?
P1 C1 1.839(17) . ?
P1 C7 1.849(17) . ?
P2 N1 1.705(15) . ?
P2 C13 1.830(16) . ?
P2 C19 1.816(18) . ?
Cl1 C73 1.72(3) . ?
Cl2 C73 1.79(2) . ?
Cl4 C74 1.75(3) . ?
Cl3 C74 1.71(2) . ?
N1 H1 0.8800 . ?
N3 H3 0.8800 . ?
N2 H2 0.8800 . ?
F2 B1 1.36(2) . ?
F1 B1 1.39(3) . ?
F3 B1 1.35(3) . ?
C42 H42 0.9500 . ?
C42 C37 1.41(2) . ?
C42 C41 1.39(2) . ?
C56 H56 0.9500 . ?
C56 C57 1.38(2) . ?
C56 C55 1.38(2) . ?
C61 C62 1.35(2) . ?
C61 C66 1.35(3) . ?
F4 B1 1.36(3) . ?
C25 C30 1.39(2) . ?
C25 C26 1.37(2) . ?
C43 C48 1.41(3) . ?
C43 C44 1.40(3) . ?
C1 C2 1.36(2) . ?
C1 C6 1.42(2) . ?
C7 C12 1.38(2) . ?
C7 C8 1.38(3) . ?
C67 C68 1.32(3) . ?
C67 C72 1.35(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.42(2) . ?
C11 C10 1.31(3) . ?
C31 C36 1.40(2) . ?
C31 C32 1.36(2) . ?
C12 H12 0.9500 . ?
C37 C38 1.37(2) . ?
C2 H2A 0.9500 . ?
C2 C3 1.41(2) . ?
C28 H28 0.9500 . ?
C28 C27 1.37(3) . ?
C28 C29 1.34(3) . ?
C41 H41 0.9500 . ?
C41 C40 1.34(3) . ?
C13 C18 1.38(2) . ?
C13 C14 1.36(3) . ?
C48 H48 0.9500 . ?
C48 C47 1.36(3) . ?
C10 H10 0.9500 . ?
C10 C9 1.39(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.36(2) . ?
C35 C34 1.37(3) . ?
C49 C54 1.36(3) . ?
C49 C50 1.40(3) . ?
C6 H6 0.9500 . ?
C6 C5 1.42(2) . ?
C36 H36 0.9500 . ?
C54 H54 0.9500 . ?
C54 C53 1.38(3) . ?
C20 H20 0.9500 . ?
C20 C19 1.38(2) . ?
C20 C21 1.39(3) . ?
C60 H60 0.9500 . ?
C60 C59 1.38(3) . ?
C60 C55 1.38(2) . ?
C53 H53 0.9500 . ?
C53 C52 1.43(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.40(2) . ?
C17 C16 1.37(3) . ?
C18 H18 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.39(3) . ?
C47 H47 0.9500 . ?
C47 C46 1.33(4) . ?
C34 H34 0.9500 . ?
C34 C33 1.37(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.40(3) . ?
C44 H44 0.9500 . ?
C44 C45 1.34(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.40(2) . ?
C64 H64 0.9500 . ?
C64 C63 1.26(3) . ?
C64 C65 1.33(3) . ?
C19 C24 1.41(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.35(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.41(3) . ?
C52 H52 0.9500 . ?
C52 C51 1.40(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.39(3) . ?
C59 H59 0.9500 . ?
C59 C58 1.39(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.43(3) . ?
C3 H3A 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.41(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.45(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.36(3) . ?
C58 H58 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.35(3) . ?
C9 H9 0.9500 . ?
C46 H46 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.41(3) . ?
C68 H68 0.9500 . ?
C68 C69 1.41(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.37(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.31(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.34(3) . ?
C24 H24 0.9500 . ?
C24 C23 1.37(3) . ?
C70 H70 0.9500 . ?
C70 C71 1.31(3) . ?
C70 C69 1.41(3) . ?
C27 H27 0.9500 . ?
C71 H71 0.9500 . ?
C71 C72 1.38(3) . ?
C16 H16 0.9500 . ?
C51 H51 0.9500 . ?
C72 H72 0.9500 . ?
C23 H23 0.9500 . ?
C40 H40 0.9500 . ?
C33 H33 0.9500 . ?
C69 H69 0.9500 . ?
C29 H29 0.9500 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C62 H62 0.9500 . ?
C62 C63 1.43(3) . ?
C63 H63 0.9500 . ?
C65 H65 0.9500 . ?
C65 C66 1.35(3) . ?
C66 H66 0.9500 . ?

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
Ag4 Ag1 Ag2 83.49(4) . . ?
Ag4 Ag1 Ag3 58.63(3) . . ?
Ag4 Ag1 Ag5 58.98(4) . . ?
Ag2 Ag1 Ag3 58.59(3) . . ?
Ag2 Ag1 Ag5 58.54(3) . . ?
Ag3 Ag1 Ag5 91.69(4) . . ?
P4 Ag1 Ag4 153.82(9) . . ?
P4 Ag1 Ag2 88.48(9) . . ?
P4 Ag1 Ag3 96.02(9) . . ?
P4 Ag1 Ag5 134.87(10) . . ?
P4 Ag1 P5 108.07(12) . . ?
P5 Ag1 Ag4 88.62(9) . . ?
P5 Ag1 Ag2 154.91(10) . . ?
P5 Ag1 Ag3 134.62(10) . . ?
P5 Ag1 Ag5 97.09(9) . . ?
Ag1 Ag4 Ag5 117.50(4) . 3_655 ?
Ag1 Ag4 Ag5 62.85(4) . . ?
Ag4 Ag4 Ag1 126.74(5) 3_655 . ?
Ag4 Ag4 Ag3 102.66(4) 3_655 . ?
Ag4 Ag4 Ag5 69.30(5) 3_655 . ?
Ag4 Ag4 Ag5 57.43(4) 3_655 3_655 ?
Ag3 Ag4 Ag1 62.61(4) . . ?
Ag3 Ag4 Ag5 57.30(4) . 3_655 ?
Ag3 Ag4 Ag5 96.40(4) . . ?
Ag5 Ag4 Ag5 107.78(4) . 3_655 ?
P6 Ag4 Ag1 95.27(9) . . ?
P6 Ag4 Ag4 118.42(8) . 3_655 ?
P6 Ag4 Ag3 138.30(9) . . ?
P6 Ag4 Ag5 141.93(10) . 3_655 ?
P6 Ag4 Ag5 104.11(10) . . ?
Ag1 Ag2 Ag3 117.89(4) . 3_655 ?
Ag1 Ag2 Ag5 63.03(4) . . ?
Ag2 Ag2 Ag1 125.25(5) 3_655 . ?
Ag2 Ag2 Ag3 57.68(4) 3_655 3_655 ?
Ag2 Ag2 Ag3 67.15(4) 3_655 . ?
Ag2 Ag2 Ag5 104.40(4) 3_655 . ?
Ag3 Ag2 Ag1 62.57(4) . . ?
Ag3 Ag2 Ag3 105.66(4) . 3_655 ?
Ag3 Ag2 Ag5 96.82(4) . . ?
Ag5 Ag2 Ag3 58.28(4) . 3_655 ?
P3 Ag2 Ag1 94.87(9) . . ?
P3 Ag2 Ag2 118.19(9) . 3_655 ?
P3 Ag2 Ag3 142.77(9) . 3_655 ?
P3 Ag2 Ag3 104.97(9) . . ?
P3 Ag2 Ag5 136.91(9) . . ?
Ag1 Ag3 Ag2 110.72(4) . 3_655 ?
Ag4 Ag3 Ag1 58.76(3) . . ?
Ag4 Ag3 Ag2 94.90(4) . 3_655 ?
Ag4 Ag3 Ag5 67.31(4) . 3_655 ?
Ag2 Ag3 Ag1 58.84(3) . . ?
Ag2 Ag3 Ag4 83.69(4) . . ?
Ag2 Ag3 Ag2 55.18(4) . 3_655 ?
Ag2 Ag3 Ag5 101.01(4) . 3_655 ?
Ag5 Ag3 Ag1 123.36(5) 3_655 . ?
Ag5 Ag3 Ag2 56.61(3) 3_655 3_655 ?
P2 Ag3 Ag1 129.75(11) . . ?
P2 Ag3 Ag4 119.03(10) . . ?
P2 Ag3 Ag2 157.23(11) . . ?
P2 Ag3 Ag2 119.23(10) . 3_655 ?
P2 Ag3 Ag5 90.19(12) . 3_655 ?
Ag1 Ag5 Ag4 107.81(4) . 3_655 ?
Ag4 Ag5 Ag1 58.17(3) . . ?
Ag4 Ag5 Ag4 53.27(4) . 3_655 ?
Ag4 Ag5 Ag3 97.73(4) . 3_655 ?
Ag2 Ag5 Ag1 58.43(3) . . ?
Ag2 Ag5 Ag4 82.99(4) . . ?
Ag2 Ag5 Ag4 92.83(4) . 3_655 ?
Ag2 Ag5 Ag3 65.11(4) . 3_655 ?
Ag3 Ag5 Ag1 119.97(5) 3_655 . ?
Ag3 Ag5 Ag4 55.39(3) 3_655 3_655 ?
P1 Ag5 Ag1 131.27(11) 3_655 . ?
P1 Ag5 Ag4 159.48(10) 3_655 . ?
P1 Ag5 Ag4 120.87(11) 3_655 3_655 ?
P1 Ag5 Ag2 117.53(10) 3_655 . ?
P1 Ag5 Ag3 91.38(11) 3_655 3_655 ?
N2 P3 Ag2 112.4(4) . . ?
N2 P3 C25 100.5(6) . . ?
N2 P3 C31 105.9(7) . . ?
C25 P3 Ag2 119.6(5) . . ?
C25 P3 C31 102.2(6) . . ?
C31 P3 Ag2 114.4(5) . . ?
N3 P6 Ag4 112.1(4) . . ?
N3 P6 C61 102.2(7) . . ?
N3 P6 C67 106.1(7) . . ?
C61 P6 Ag4 118.7(5) . . ?
C61 P6 C67 102.3(7) . . ?
C67 P6 Ag4 114.0(5) . . ?
N2 P4 Ag1 118.1(4) . . ?
N2 P4 C43 101.5(7) . . ?
N2 P4 C37 104.1(6) . . ?
C43 P4 Ag1 111.6(5) . . ?
C37 P4 Ag1 116.2(5) . . ?
C37 P4 C43 103.4(8) . . ?
N3 P5 Ag1 117.6(4) . . ?
N3 P5 C49 100.1(7) . . ?
N3 P5 C55 105.4(7) . . ?
C49 P5 Ag1 113.4(5) . . ?
C55 P5 Ag1 115.2(5) . . ?
C55 P5 C49 103.0(8) . . ?
N1 P1 Ag5 115.4(5) . 3_655 ?
N1 P1 C1 104.4(7) . . ?
N1 P1 C7 102.0(7) . . ?
C1 P1 Ag5 117.5(5) . 3_655 ?
C1 P1 C7 102.8(8) . . ?
C7 P1 Ag5 112.8(5) . 3_655 ?
N1 P2 Ag3 117.4(5) . . ?
N1 P2 C13 102.1(8) . . ?
N1 P2 C19 105.5(8) . . ?
C13 P2 Ag3 115.1(6) . . ?
C19 P2 Ag3 111.6(5) . . ?
C19 P2 C13 103.7(8) . . ?
P1 N1 P2 125.1(8) . . ?
P1 N1 H1 117.4 . . ?
P2 N1 H1 117.4 . . ?
P6 N3 H3 117.0 . . ?
P5 N3 P6 126.0(7) . . ?
P5 N3 H3 117.0 . . ?
P3 N2 H2 117.3 . . ?
P4 N2 P3 125.4(7) . . ?
P4 N2 H2 117.3 . . ?
C37 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C41 C42 C37 119.6(15) . . ?
C57 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C55 C56 C57 120.8(16) . . ?
C62 C61 P6 123.0(15) . . ?
C62 C61 C66 115.2(18) . . ?
C66 C61 P6 121.8(14) . . ?
C30 C25 P3 122.2(14) . . ?
C26 C25 P3 120.0(13) . . ?
C26 C25 C30 117.9(16) . . ?
C48 C43 P4 124.3(14) . . ?
C44 C43 P4 117.5(13) . . ?
C44 C43 C48 117.8(16) . . ?
C2 C1 P1 124.7(12) . . ?
C2 C1 C6 120.2(15) . . ?
C6 C1 P1 114.7(13) . . ?
C12 C7 P1 121.0(14) . . ?
C12 C7 C8 121.8(16) . . ?
C8 C7 P1 116.9(12) . . ?
C68 C67 P6 117.5(13) . . ?
C68 C67 C72 120.2(17) . . ?
C72 C67 P6 121.6(14) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.5(16) . . ?
C36 C31 P3 123.9(12) . . ?
C32 C31 P3 116.4(12) . . ?
C32 C31 C36 119.6(15) . . ?
C7 C12 C11 117.9(18) . . ?
C7 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
C42 C37 P4 116.6(11) . . ?
C38 C37 P4 122.2(13) . . ?
C38 C37 C42 121.1(16) . . ?
C1 C2 H2A 119.6 . . ?
C1 C2 C3 120.7(15) . . ?
C3 C2 H2A 119.6 . . ?
C27 C28 H28 121.2 . . ?
C29 C28 H28 121.2 . . ?
C29 C28 C27 117.7(18) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 C42 120.5(17) . . ?
C40 C41 H41 119.7 . . ?
C18 C13 P2 115.8(15) . . ?
C14 C13 P2 125.3(14) . . ?
C14 C13 C18 118.7(16) . . ?
C43 C48 H48 120.4 . . ?
C47 C48 C43 119(2) . . ?
C47 C48 H48 120.4 . . ?
C11 C10 H10 118.7 . . ?
C11 C10 C9 122.6(17) . . ?
C9 C10 H10 118.7 . . ?
C36 C35 H35 120.4 . . ?
C36 C35 C34 119.1(16) . . ?
C34 C35 H35 120.4 . . ?
C54 C49 P5 122.3(16) . . ?
C54 C49 C50 120.7(18) . . ?
C50 C49 P5 115.8(13) . . ?
C1 C6 H6 120.5 . . ?
C1 C6 C5 118.9(17) . . ?
C5 C6 H6 120.5 . . ?
C31 C36 H36 119.8 . . ?
C35 C36 C31 120.4(16) . . ?
C35 C36 H36 119.8 . . ?
C49 C54 H54 119.1 . . ?
C49 C54 C53 122(2) . . ?
C53 C54 H54 119.1 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 120(2) . . ?
C21 C20 H20 120.1 . . ?
C59 C60 H60 120.7 . . ?
C55 C60 H60 120.7 . . ?
C55 C60 C59 118.5(18) . . ?
C54 C53 H53 121.1 . . ?
C54 C53 C52 118(2) . . ?
C52 C53 H53 121.1 . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
C16 C17 C18 118(2) . . ?
C13 C18 C17 122(2) . . ?
C13 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.6(16) . . ?
C4 C5 H5 119.7 . . ?
C48 C47 H47 119.2 . . ?
C46 C47 C48 122(2) . . ?
C46 C47 H47 119.2 . . ?
C35 C34 H34 119.0 . . ?
C35 C34 C33 122.1(17) . . ?
C33 C34 H34 119.0 . . ?
C31 C32 H32 119.7 . . ?
C31 C32 C33 120.5(17) . . ?
C33 C32 H32 119.7 . . ?
C43 C44 H44 120.4 . . ?
C45 C44 C43 119(2) . . ?
C45 C44 H44 120.4 . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.3(17) . . ?
C3 C4 H4 120.4 . . ?
C63 C64 H64 122.1 . . ?
C63 C64 C65 116(2) . . ?
C65 C64 H64 122.1 . . ?
C20 C19 P2 121.5(16) . . ?
C20 C19 C24 120.1(17) . . ?
C24 C19 P2 118.3(13) . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0(17) . . ?
C58 C57 H57 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.1(18) . . ?
C22 C21 H21 120.0 . . ?
C53 C52 H52 119.6 . . ?
C51 C52 C53 121(2) . . ?
C51 C52 H52 119.6 . . ?
C49 C50 H50 120.1 . . ?
C51 C50 C49 120(2) . . ?
C51 C50 H50 120.1 . . ?
C60 C59 H59 119.3 . . ?
C60 C59 C58 121.3(17) . . ?
C58 C59 H59 119.3 . . ?
C37 C38 H38 122.0 . . ?
C37 C38 C39 115.9(17) . . ?
C39 C38 H38 122.0 . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.3(17) . . ?
C4 C3 H3A 119.9 . . ?
C7 C8 H8 120.6 . . ?
C7 C8 C9 118.8(17) . . ?
C9 C8 H8 120.6 . . ?
C13 C14 H14 119.2 . . ?
C13 C14 C15 121.6(19) . . ?
C15 C14 H14 119.2 . . ?
C38 C39 H39 118.7 . . ?
C40 C39 C38 122.6(18) . . ?
C40 C39 H39 118.7 . . ?
C57 C58 C59 119.6(17) . . ?
C57 C58 H58 120.2 . . ?
C59 C58 H58 120.2 . . ?
C44 C45 H45 118.8 . . ?
C44 C45 C46 122(2) . . ?
C46 C45 H45 118.8 . . ?
C10 C9 C8 118(2) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C47 C46 C45 120(2) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C25 C30 H30 120.8 . . ?
C25 C30 C29 118.4(19) . . ?
C29 C30 H30 120.8 . . ?
C67 C68 H68 120.3 . . ?
C67 C68 C69 119.4(19) . . ?
C69 C68 H68 120.3 . . ?
C14 C15 H15 121.8 . . ?
C16 C15 C14 116(2) . . ?
C16 C15 H15 121.8 . . ?
C21 C22 H22 121.4 . . ?
C23 C22 C21 117(2) . . ?
C23 C22 H22 121.4 . . ?
C25 C26 H26 119.0 . . ?
C27 C26 C25 122(2) . . ?
C27 C26 H26 119.0 . . ?
C19 C24 H24 121.9 . . ?
C23 C24 C19 116.2(19) . . ?
C23 C24 H24 121.9 . . ?
C71 C70 H70 120.3 . . ?
C71 C70 C69 119(2) . . ?
C69 C70 H70 120.3 . . ?
C28 C27 H27 119.2 . . ?
C26 C27 C28 122(2) . . ?
C26 C27 H27 119.2 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 119.9(19) . . ?
C72 C71 H71 120.0 . . ?
C17 C16 C15 122.9(19) . . ?
C17 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
C52 C51 H51 120.5 . . ?
C50 C51 C52 119(2) . . ?
C50 C51 H51 120.5 . . ?
C67 C72 C71 122(2) . . ?
C67 C72 H72 119.2 . . ?
C71 C72 H72 119.2 . . ?
C22 C23 C24 127(2) . . ?
C22 C23 H23 116.7 . . ?
C24 C23 H23 116.7 . . ?
C41 C40 C39 120.2(18) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C34 C33 C32 118.2(18) . . ?
C34 C33 H33 120.9 . . ?
C32 C33 H33 120.9 . . ?
C68 C69 C70 119(2) . . ?
C68 C69 H69 120.6 . . ?
C70 C69 H69 120.6 . . ?
C28 C29 C30 122.3(19) . . ?
C28 C29 H29 118.8 . . ?
C30 C29 H29 118.8 . . ?
Cl4 C74 H74A 108.9 . . ?
Cl4 C74 H74B 108.9 . . ?
Cl3 C74 Cl4 113.3(15) . . ?
Cl3 C74 H74A 108.9 . . ?
Cl3 C74 H74B 108.9 . . ?
H74A C74 H74B 107.7 . . ?
Cl1 C73 Cl2 111.2(12) . . ?
Cl1 C73 H73A 109.4 . . ?
Cl1 C73 H73B 109.4 . . ?
Cl2 C73 H73A 109.4 . . ?
Cl2 C73 H73B 109.4 . . ?
H73A C73 H73B 108.0 . . ?
F2 B1 F1 109.0(16) . . ?
F2 B1 F4 112.1(19) . . ?
F3 B1 F2 110(2) . . ?
F3 B1 F1 108.3(19) . . ?
F3 B1 F4 109.7(18) . . ?
F4 B1 F1 108(2) . . ?
C61 C62 H62 120.2 . . ?
C61 C62 C63 120(2) . . ?
C63 C62 H62 120.2 . . ?
C64 C63 C62 124(2) . . ?
C64 C63 H63 118.2 . . ?
C62 C63 H63 118.2 . . ?
C64 C65 H65 118.0 . . ?
C64 C65 C66 124(2) . . ?
C66 C65 H65 118.0 . . ?
C61 C66 H66 119.3 . . ?
C65 C66 C61 121(2) . . ?
C65 C66 H66 119.3 . . ?
C56 C55 P5 118.8(11) . . ?
C56 C55 C60 119.6(16) . . ?
C60 C55 P5 121.6(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane and pentane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,Light-sensitive
####################################################################### 
# 
# 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_aim007
_database_code_depnum_ccdc_archive 'CCDC 1919385'
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Melbourne
Australia
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
_audit_creation_date             2019-01-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Ag2(dppa)3](NO3)2'
_chemical_formula_moiety         'C36 H31.5 Ag N1.5 P3, C H2 Cl2, N0.5 O1.5'
_chemical_formula_sum            'C37 H33.50 Ag Cl2 N2 O1.50 P3'
_chemical_formula_weight         801.84
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C148 H134 Ag4 Cl8 F6 N8 P12 '
_chemical_oxdiff_usercomment     'HW-3-149 yellow prism'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   12.74130(10)
_cell_length_b                   12.92340(10)
_cell_length_c                   20.95380(10)
_cell_angle_alpha                90
_cell_angle_beta                 89.9750(10)
_cell_angle_gamma                90
_cell_volume                     3450.27(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    24292
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      77.7740
_cell_measurement_theta_min      3.4140
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.706
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1630
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            30543
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.073
_diffrn_reflns_theta_min         3.420
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  17.00   0.50    1.00    --  -48.30  38.00  60.00   92
  2  ω    -75.00 -50.00   0.50    3.00    --  -86.25 113.00 175.00   50
  3  ω    -85.00 -21.00   0.50    1.00    --  -48.30 113.00 175.00  128
  4  ω     39.00  71.00   0.50    1.00    --   48.30-113.00  84.00   64
  5  ω     61.00  87.00   0.50    3.00    --  107.75-113.00  84.00   52
  6  ω     64.00 109.00   0.50    3.00    --  107.75-125.00 150.00   90
  7  ω     41.00  67.00   0.50    3.00    --  107.75 -45.00  30.00   52
  8  ω     41.00  72.00   0.50    3.00    --  107.75 -45.00 -30.00   62
  9  ω     59.00  97.00   0.50    3.00    --  107.75 -61.00 -60.00   76
 10  ω     73.00 127.00   0.50    3.00    --  107.75 -77.00   0.00  108
 11  ω     76.00 118.00   0.50    3.00    --  107.75 -15.00   0.00   84
 12  ω    102.00 177.00   0.50    3.00    --  107.75  15.00   0.00  150
 13  ω    153.00 178.00   0.50    3.00    --  107.75  77.00-150.00   50
 14  ω     86.00 129.00   0.50    3.00    --  107.75  77.00-150.00   86
 15  ω     50.00 114.00   0.50    3.00    --  107.75 -15.00-180.00  128
 16  ω     39.00  71.00   0.50    3.00    --  107.75 -30.00-120.00   64
 17  ω     38.00  63.00   0.50    3.00    --  107.75 -45.00-150.00   50
 18  ω     36.00  65.00   0.50    3.00    --  107.75 -30.00 -90.00   58
 19  ω     44.00  71.00   0.50    3.00    --  107.75 -30.00 -30.00   54
 20  ω     40.00  66.00   0.50    3.00    --  107.75 -30.00  30.00   52
 21  ω     36.00  63.00   0.50    3.00    --  107.75 -30.00   0.00   54
 22  ω     34.00  73.00   0.50    3.00    --  107.75 -15.00   0.00   78
 23  ω     37.00  70.00   0.50    3.00    --  107.75 -30.00  60.00   66
 24  ω     52.00 108.00   0.50    3.00    --  107.75 -94.00 -30.00  112
 25  ω     75.00 104.00   0.50    3.00    --  107.75 -61.00 -30.00   58
 26  ω     41.00  72.00   0.50    3.00    --  107.75 -61.00 -30.00   62
 27  ω     40.00  71.00   0.50    3.00    --  107.75 -30.00-150.00   62
 28  ω    106.00 132.00   0.50    3.00    --  107.75 125.00 150.00   52
 29  ω    110.00 136.00   0.50    3.00    --  107.75 113.00 175.00   52
 30  ω   -109.00 -83.00   0.50    1.00    --  -48.30-125.00-120.00   52
 31  ω   -115.00 -77.00   0.50    1.00    --  -48.30-125.00-150.00   76
 32  ω   -137.00 -91.00   0.50    3.00    --  -86.25-113.00  84.00   92
 33  ω   -119.00 -28.00   0.50    1.00    --  -48.30 -77.00  90.00  182
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0227195000
_diffrn_orient_matrix_UB_12      0.0897606000
_diffrn_orient_matrix_UB_13      -0.0462719000
_diffrn_orient_matrix_UB_21      0.0453928000
_diffrn_orient_matrix_UB_22      0.0642170000
_diffrn_orient_matrix_UB_23      0.0555061000
_diffrn_orient_matrix_UB_31      0.1097444000
_diffrn_orient_matrix_UB_32      -0.0451095000
_diffrn_orient_matrix_UB_33      -0.0134532000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7067
_reflns_number_total             7282
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     75.12
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.657
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         7282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0563P)²+5.2490P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1017
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Others
 Sof(Ag1A)=1-FVAR(1)
 Sof(Ag1)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B)
3.b Aromatic/amide H refined with riding coordinates:
 N1(H1A), N2(H1B), C36(H36), C3(H3), C8(H8), C2(H2), C14(H14), C6(H6), C5(H5),
 C18(H18), C35(H35), C12(H12), C9(H9), C26(H26), C32(H32), C4(H4), C17(H17),
 C34(H34), C30(H30), C24(H24), C16(H16), C10(H10), C15(H15), C11(H11), C28(H28),
  C33(H33), C22(H22), C20(H20), C27(H27), C29(H29), C23(H23), C21(H21)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.48443(4) 0.36186(13) 0.81775(3) 0.01697(15) Uani 0.920(11) 1 d . . . A
1
P1 P 0.33965(5) 0.23324(5) 0.79655(3) 0.01840(14) Uani 1 1 d . . . . .
P2 P 0.33185(5) 0.29858(5) 0.66056(3) 0.02013(14) Uani 1 1 d . . . . .
P3 P 0.47041(5) 0.55448(5) 0.81653(3) 0.02111(15) Uani 1 1 d . . . . .
Cl1 Cl 0.04423(8) -0.06972(7) 0.92610(4) 0.0471(2) Uani 1 1 d . . . . .
Cl2 Cl -0.09173(7) -0.13631(8) 0.82280(5) 0.0525(2) Uani 1 1 d . . . . .
O1 O 0.07723(16) 0.14234(17) 0.72791(11) 0.0316(5) Uani 1 1 d . . . . .
N1 N 0.27581(17) 0.25052(18) 0.72642(10) 0.0210(4) Uani 1 1 d . . . . .
H1A H 0.210614 0.233554 0.724573 0.025 Uiso 1 1 calc R . . . .
N3 N 0.000000 0.1917(3) 0.750000 0.0253(7) Uani 1 2 d S T P . .
O2 O 0.000000 0.2866(3) 0.750000 0.0460(8) Uani 1 2 d S T P . .
N2 N 0.500000 0.6103(2) 0.750000 0.0236(6) Uani 1 2 d S T P A .
H1B H 0.500001 0.676854 0.750000 0.028 Uiso 1 2 calc RS T P . .
C7 C 0.2319(2) 0.2552(2) 0.85203(13) 0.0219(5) Uani 1 1 d . . . . .
C13 C 0.3236(2) 0.2003(2) 0.59837(13) 0.0240(5) Uani 1 1 d . . . . .
C1 C 0.3650(2) 0.0949(2) 0.80164(12) 0.0201(5) Uani 1 1 d . . . . .
C31 C 0.5522(2) 0.6184(2) 0.87688(13) 0.0242(5) Uani 1 1 d . . . . .
C25 C 0.3409(2) 0.6088(2) 0.83703(14) 0.0264(6) Uani 1 1 d . . . . .
C36 C 0.6071(2) 0.7082(2) 0.86258(14) 0.0267(6) Uani 1 1 d . . . . .
H36 H 0.605140 0.734819 0.821362 0.032 Uiso 1 1 calc R . . . .
C3 C 0.4767(2) -0.0431(2) 0.83877(15) 0.0302(6) Uani 1 1 d . . . . .
H3 H 0.537244 -0.064591 0.859730 0.036 Uiso 1 1 calc R . . . .
C8 C 0.1763(2) 0.1779(2) 0.88286(14) 0.0281(6) Uani 1 1 d . . . . .
H8 H 0.196548 0.109122 0.878566 0.034 Uiso 1 1 calc R . . . .
C2 C 0.4552(2) 0.0619(2) 0.83269(14) 0.0250(5) Uani 1 1 d . . . . .
H2 H 0.501573 0.110360 0.849530 0.030 Uiso 1 1 calc R . . . .
C14 C 0.4000(2) 0.2021(3) 0.55032(14) 0.0319(6) Uani 1 1 d . . . . .
H14 H 0.452822 0.251777 0.551598 0.038 Uiso 1 1 calc R . . . .
C19 C 0.2359(2) 0.3933(2) 0.63304(15) 0.0278(6) Uani 1 1 d . . . . .
C6 C 0.2965(2) 0.0214(2) 0.77591(14) 0.0261(6) Uani 1 1 d . . . . .
H6 H 0.236246 0.042444 0.754497 0.031 Uiso 1 1 calc R . . . .
C5 C 0.3186(2) -0.0826(2) 0.78246(15) 0.0295(6) Uani 1 1 d . . . . .
H5 H 0.272724 -0.131520 0.765675 0.035 Uiso 1 1 calc R . . . .
C18 C 0.2456(2) 0.1245(3) 0.59633(15) 0.0310(6) Uani 1 1 d . . . . .
H18 H 0.193866 0.122570 0.627660 0.037 Uiso 1 1 calc R . . . .
C35 C 0.6652(2) 0.7587(3) 0.90938(16) 0.0341(7) Uani 1 1 d . . . . .
H35 H 0.702434 0.818439 0.899296 0.041 Uiso 1 1 calc R . . . .
C12 C 0.2020(2) 0.3583(2) 0.86046(15) 0.0290(6) Uani 1 1 d . . . . .
H12 H 0.240692 0.410632 0.841144 0.035 Uiso 1 1 calc R . . . .
C9 C 0.0892(3) 0.2040(3) 0.92063(16) 0.0378(7) Uani 1 1 d . . . . .
H9 H 0.051733 0.152415 0.941562 0.045 Uiso 1 1 calc R . . . .
C26 C 0.2673(2) 0.6177(3) 0.78796(17) 0.0355(7) Uani 1 1 d . . . . .
H26 H 0.285098 0.596978 0.746864 0.043 Uiso 1 1 calc R . . . .
C32 C 0.5580(3) 0.5783(3) 0.93859(15) 0.0373(7) Uani 1 1 d . . . . .
H32 H 0.523831 0.516704 0.948338 0.045 Uiso 1 1 calc R . . . .
C4 C 0.4089(2) -0.1150(2) 0.81391(16) 0.0320(6) Uani 1 1 d . . . . .
H4 H 0.423306 -0.185272 0.818086 0.038 Uiso 1 1 calc R . . . .
C17 C 0.2454(3) 0.0523(3) 0.54751(17) 0.0407(8) Uani 1 1 d . . . . .
H17 H 0.194141 0.001106 0.546678 0.049 Uiso 1 1 calc R . . . .
C34 C 0.6676(3) 0.7198(3) 0.97116(17) 0.0396(8) Uani 1 1 d . . . . .
H34 H 0.704947 0.754475 1.002756 0.048 Uiso 1 1 calc R . . . .
C30 C 0.3122(3) 0.6415(3) 0.89756(19) 0.0406(8) Uani 1 1 d . . . . .
H30 H 0.359681 0.636272 0.931088 0.049 Uiso 1 1 calc R . . . .
C24 C 0.1666(3) 0.4404(3) 0.67453(19) 0.0408(8) Uani 1 1 d . . . . .
H24 H 0.164335 0.420338 0.717125 0.049 Uiso 1 1 calc R . . . .
C16 C 0.3211(3) 0.0556(3) 0.49970(16) 0.0429(8) Uani 1 1 d . . . . .
H16 H 0.320084 0.007150 0.466891 0.052 Uiso 1 1 calc R . . . .
C10 C 0.0592(2) 0.3061(3) 0.92675(17) 0.0391(8) Uani 1 1 d . . . . .
H10 H 0.000474 0.322872 0.951031 0.047 Uiso 1 1 calc R . . . .
C15 C 0.3980(3) 0.1312(3) 0.50112(16) 0.0419(8) Uani 1 1 d . . . . .
H15 H 0.448163 0.134205 0.468944 0.050 Uiso 1 1 calc R . . . .
C11 C 0.1155(3) 0.3834(3) 0.89720(17) 0.0384(7) Uani 1 1 d . . . . .
H11 H 0.095383 0.452119 0.901915 0.046 Uiso 1 1 calc R . . . .
C37 C 0.0194(3) -0.0623(3) 0.84316(17) 0.0392(7) Uani 1 1 d . . . . .
H37A H 0.007942 0.009296 0.831119 0.047 Uiso 1 1 calc R . . . .
H37B H 0.079944 -0.087612 0.819830 0.047 Uiso 1 1 calc R . . . .
C28 C 0.1408(3) 0.6893(3) 0.8600(2) 0.0502(10) Uani 1 1 d . . . . .
H28 H 0.074126 0.715702 0.867671 0.060 Uiso 1 1 calc R . . . .
C33 C 0.6146(3) 0.6298(3) 0.98559(18) 0.0454(9) Uani 1 1 d . . . . .
H33 H 0.616638 0.603398 1.026868 0.055 Uiso 1 1 calc R . . . .
C22 C 0.1032(3) 0.5493(3) 0.5901(2) 0.0508(10) Uani 1 1 d . . . . .
H22 H 0.059763 0.602428 0.575920 0.061 Uiso 1 1 calc R . . . .
C20 C 0.2368(3) 0.4245(3) 0.5703(2) 0.0509(10) Uani 1 1 d . . . . .
H20 H 0.282797 0.393256 0.541735 0.061 Uiso 1 1 calc R . . . .
C27 C 0.1683(3) 0.6570(3) 0.7997(2) 0.0453(9) Uani 1 1 d . . . . .
H27 H 0.119933 0.661584 0.766621 0.054 Uiso 1 1 calc R . . . .
C29 C 0.2122(3) 0.6824(3) 0.9085(2) 0.0534(10) Uani 1 1 d . . . . .
H29 H 0.194081 0.705070 0.949121 0.064 Uiso 1 1 calc R . . . .
C23 C 0.1001(3) 0.5181(3) 0.6525(2) 0.0540(10) Uani 1 1 d . . . . .
H23 H 0.052964 0.549098 0.680472 0.065 Uiso 1 1 calc R . . . .
C21 C 0.1702(3) 0.5020(4) 0.5490(2) 0.0630(13) Uani 1 1 d . . . . .
H21 H 0.171429 0.521620 0.506331 0.076 Uiso 1 1 calc R . . . .
Ag1A Ag 0.4860(5) 0.324(4) 0.8197(4) 0.031(5) Uani 0.080(11) 1 d . . . A 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 Ag1 2.8666(10) 2_656 ?
Ag1 P1 2.5227(14) . ?
Ag1 P2 2.5211(9) 2_656 ?
Ag1 P3 2.4958(18) . ?
P1 N1 1.695(2) . ?
P1 C7 1.821(3) . ?
P1 C1 1.820(3) . ?
P1 Ag1A 2.26(2) . ?
P2 N1 1.673(2) . ?
P2 C13 1.823(3) . ?
P2 C19 1.823(3) . ?
P2 Ag1A 2.381(13) 2_656 ?
P3 N2 1.6141(16) . ?
P3 C31 1.835(3) . ?
P3 C25 1.844(3) . ?
P3 Ag1A 2.98(5) . ?
Cl1 C37 1.769(4) . ?
Cl2 C37 1.761(4) . ?
O1 N3 1.261(3) . ?
N3 O2 1.226(5) . ?
C7 C8 1.384(4) . ?
C7 C12 1.397(4) . ?
C13 C14 1.401(4) . ?
C13 C18 1.396(4) . ?
C1 C2 1.388(4) . ?
C1 C6 1.399(4) . ?
C31 C36 1.388(4) . ?
C31 C32 1.395(4) . ?
C25 C26 1.397(4) . ?
C25 C30 1.386(5) . ?
C36 C35 1.392(4) . ?
C3 C2 1.390(4) . ?
C3 C4 1.372(5) . ?
C8 C9 1.404(4) . ?
C14 C15 1.380(5) . ?
C19 C24 1.381(5) . ?
C19 C20 1.375(5) . ?
C6 C5 1.380(4) . ?
C5 C4 1.391(4) . ?
C18 C17 1.385(5) . ?
C35 C34 1.389(5) . ?
C12 C11 1.383(4) . ?
C9 C10 1.380(5) . ?
C26 C27 1.381(5) . ?
C32 C33 1.390(5) . ?
C17 C16 1.391(5) . ?
C34 C33 1.380(6) . ?
C30 C29 1.397(5) . ?
C24 C23 1.393(5) . ?
C16 C15 1.383(6) . ?
C10 C11 1.376(5) . ?
C28 C27 1.375(6) . ?
C28 C29 1.367(7) . ?
C22 C23 1.369(6) . ?
C22 C21 1.357(7) . ?
C20 C21 1.386(5) . ?
Ag1A Ag1A 2.943(16) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 Ag1 85.78(2) . 2_656 ?
P2 Ag1 Ag1 92.89(3) 2_656 2_656 ?
P2 Ag1 P1 119.81(7) 2_656 . ?
P3 Ag1 Ag1 89.983(19) . 2_656 ?
P3 Ag1 P1 127.09(3) . . ?
P3 Ag1 P2 113.07(5) . 2_656 ?
N1 P1 Ag1 114.66(8) . . ?
N1 P1 C7 99.84(11) . . ?
N1 P1 C1 105.41(12) . . ?
N1 P1 Ag1A 120.9(7) . . ?
C7 P1 Ag1 109.64(9) . . ?
C7 P1 Ag1A 113.8(4) . . ?
C1 P1 Ag1 120.47(9) . . ?
C1 P1 C7 104.46(12) . . ?
C1 P1 Ag1A 110.7(11) . . ?
N1 P2 Ag1 111.58(8) . 2_656 ?
N1 P2 C13 107.83(12) . . ?
N1 P2 C19 102.95(13) . . ?
N1 P2 Ag1A 108.9(3) . 2_656 ?
C13 P2 Ag1 114.14(9) . 2_656 ?
C13 P2 C19 101.68(14) . . ?
C13 P2 Ag1A 106.2(8) . 2_656 ?
C19 P2 Ag1 117.51(10) . 2_656 ?
C19 P2 Ag1A 127.9(10) . 2_656 ?
N2 P3 Ag1 115.97(11) . . ?
N2 P3 C31 105.15(12) . . ?
N2 P3 C25 103.87(11) . . ?
N2 P3 Ag1A 116.72(18) . . ?
C31 P3 Ag1 113.67(9) . . ?
C31 P3 C25 100.14(13) . . ?
C31 P3 Ag1A 113.33(17) . . ?
C25 P3 Ag1 116.20(9) . . ?
C25 P3 Ag1A 115.74(15) . . ?
P2 N1 P1 124.01(13) . . ?
O1 N3 O1 119.2(3) 2_556 . ?
O2 N3 O1 120.40(17) . 2_556 ?
O2 N3 O1 120.40(17) . . ?
P3 N2 P3 126.9(2) 2_656 . ?
C8 C7 P1 124.8(2) . . ?
C8 C7 C12 119.3(3) . . ?
C12 C7 P1 115.8(2) . . ?
C14 C13 P2 117.5(2) . . ?
C18 C13 P2 123.5(2) . . ?
C18 C13 C14 119.0(3) . . ?
C2 C1 P1 118.4(2) . . ?
C2 C1 C6 119.3(2) . . ?
C6 C1 P1 122.3(2) . . ?
C36 C31 P3 120.9(2) . . ?
C36 C31 C32 118.9(3) . . ?
C32 C31 P3 120.1(2) . . ?
C26 C25 P3 117.4(2) . . ?
C30 C25 P3 124.4(2) . . ?
C30 C25 C26 118.2(3) . . ?
C31 C36 C35 120.6(3) . . ?
C4 C3 C2 120.2(3) . . ?
C7 C8 C9 119.6(3) . . ?
C1 C2 C3 120.4(3) . . ?
C15 C14 C13 120.8(3) . . ?
C24 C19 P2 121.7(2) . . ?
C20 C19 P2 119.6(3) . . ?
C20 C19 C24 118.5(3) . . ?
C5 C6 C1 119.7(3) . . ?
C6 C5 C4 120.6(3) . . ?
C17 C18 C13 119.8(3) . . ?
C34 C35 C36 119.9(3) . . ?
C11 C12 C7 120.7(3) . . ?
C10 C9 C8 120.1(3) . . ?
C27 C26 C25 120.8(4) . . ?
C33 C32 C31 120.4(3) . . ?
C3 C4 C5 119.8(3) . . ?
C18 C17 C16 120.7(3) . . ?
C33 C34 C35 119.9(3) . . ?
C25 C30 C29 120.3(4) . . ?
C19 C24 C23 119.9(4) . . ?
C15 C16 C17 119.8(3) . . ?
C11 C10 C9 120.5(3) . . ?
C14 C15 C16 119.9(3) . . ?
C10 C11 C12 119.7(3) . . ?
Cl2 C37 Cl1 110.65(19) . . ?
C29 C28 C27 119.6(3) . . ?
C34 C33 C32 120.2(3) . . ?
C21 C22 C23 119.3(3) . . ?
C19 C20 C21 121.0(4) . . ?
C28 C27 C26 120.5(4) . . ?
C28 C29 C30 120.6(4) . . ?
C22 C23 C24 120.8(4) . . ?
C22 C21 C20 120.5(4) . . ?
P1 Ag1A P2 140(2) . 2_656 ?
P1 Ag1A P3 117.4(11) . . ?
P1 Ag1A Ag1A 83.5(4) . 2_656 ?
P2 Ag1A P3 102.0(10) 2_656 . ?
P2 Ag1A Ag1A 93.1(3) 2_656 2_656 ?
Ag1A Ag1A P3 89.19(16) 2_656 . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.162
_oxdiff_exptl_absorpt_empirical_full_min 0.517
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane and pentane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,Light-sensitive,Photo-sensitive
####################################################################### 
# 
# 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_aim048
_database_code_depnum_ccdc_archive 'CCDC 1919384'
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Melbourne
Australia
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT915_aim048              
;
PROBLEM: No Flack x Check Done: Low Friedel Pair Coverage         49 %
RESPONSE: The absolute configuration for this compound is not of interest to this study.
;
# Added during the CSD deposition process: Wednesday 29 May 2019 04:05 AM
# end Validation Reply Form

_audit_creation_date             2019-05-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Ag3Cl2(dppa)3](NO3)'
_chemical_formula_moiety         'C72 H63 Ag3 Cl2 N3 P6, N O3'
_chemical_formula_sum            'C72 H63 Ag3 Cl2 N4 O3 P6'
_chemical_formula_weight         1612.59
_chemical_absolute_configuration .
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C72 H63 N4 P6 Ag3 Cl2 O3 '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P 1 n 1'
_space_group_name_Hall           'P -2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z+1/2'

_cell_length_a                   16.0687(3)
_cell_length_b                   13.7323(2)
_cell_length_c                   16.9464(3)
_cell_angle_alpha                90
_cell_angle_beta                 113.932(2)
_cell_angle_gamma                90
_cell_volume                     3417.91(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    40102
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      77.1660
_cell_measurement_theta_min      3.2170
_shelx_estimated_absorpt_T_max   0.768
_shelx_estimated_absorpt_T_min   0.337
_exptl_absorpt_coefficient_mu    9.273
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.29a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46623
_diffrn_reflns_point_group_measured_fraction_full 0.759
_diffrn_reflns_point_group_measured_fraction_max 0.736
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.122
_diffrn_reflns_theta_min         3.198
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00 -21.00   0.50    0.38    --  -48.94 121.00-170.00  126
  2  ω    -85.00 -37.00   0.50    1.51    --  -86.25 121.00-170.00   96
  3  ω    -87.00 -61.00   0.50    0.38    --  -48.94 153.00 -10.00   52
  4  ω    -72.00 -43.00   0.50    1.51    --  -86.25 153.00 -10.00   58
  5  ω     74.00 120.00   0.50    0.38    --   48.94 153.00 -10.00   92
  6  ω     73.00 124.00   0.50    1.51    --  107.75 153.00 -10.00  102
  7  ω    101.00 176.00   0.50    1.51    --  107.75  77.00-120.00  150
  8  ω    145.00 171.00   0.50    1.51    --  107.75 121.00-170.00   52
  9  ω    131.00 175.00   0.50    1.51    --  107.75  45.00 -60.00   88
 10  ω     92.00 178.00   0.50    1.51    --  107.75  61.00 -30.00  172
 11  ω     96.00 175.00   0.50    1.51    --  107.75  30.00 120.00  158
 12  ω     96.00 175.00   0.50    1.51    --  107.75  15.00  60.00  158
 13  ω     96.00 125.00   0.50    1.51    --  107.75  45.00 -60.00   58
 14  ω     95.00 176.00   0.50    1.51    --  107.75  15.00-180.00  162
 15  ω     79.00 111.00   0.50    0.38    --   48.94-153.00 -52.00   64
 16  ω     81.00 136.00   0.50    1.51    --  107.75-153.00 -52.00  110
 17  ω     43.00 112.00   0.50    1.51    --  107.75-121.00 106.00  138
 18  ω    104.00 130.00   0.50    1.51    --  107.75 -77.00 120.00   52
 19  ω     36.00 109.00   0.50    1.51    --  107.75 -94.00 -60.00  146
 20  ω     39.00 116.00   0.50    1.51    --  107.75-125.00-180.00  154
 21  ω     36.00 117.00   0.50    1.51    --  107.75-125.00-150.00  162
 22  ω     35.00  69.00   0.50    1.51    --  107.75 -61.00-180.00   68
 23  ω     35.00 117.00   0.50    1.51    --  107.75-125.00 -60.00  164
 24  ω     43.00 128.00   0.50    1.51    --  107.75 -77.00 -30.00  170
 25  ω     38.00 125.00   0.50    1.51    --  107.75-136.00 154.77  174
 26  ω     30.00  94.00   0.50    0.38    --   48.94-121.00 106.00  128
 27  ω     36.00 117.00   0.50    1.51    --  107.75-125.00  60.00  162
 28  ω     39.00  90.00   0.50    1.51    --  107.75 -77.00 120.00  102
 29  ω    -98.00 -73.00   0.50    0.38    --  -48.94-121.00 106.00   50
 30  ω   -120.00 -84.00   0.50    0.38    --  -48.94 -57.00  90.00   72
 31  ω   -120.00 -83.00   0.50    0.38    --  -48.94 -57.00 120.00   74
 32  ω   -116.00 -91.00   0.50    1.51    --  -86.25-121.00 106.00   50
 33  ω   -120.00 -82.00   0.50    0.38    --  -48.94 -57.00  30.00   76
 34  ω   -100.00 -51.00   0.50    0.38    --  -48.94-153.00 -52.00   98
 35  ω   -120.00 -82.00   0.50    0.38    --  -48.94 -57.00-180.00   76
 36  ω   -126.00-101.00   0.50    1.51    --  -86.25-153.00 -52.00   50
 37  ω   -155.00-101.00   0.50    1.51    --  -86.25 -77.00  30.00  108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0495584000
_diffrn_orient_matrix_UB_12      0.0946232000
_diffrn_orient_matrix_UB_13      0.0422210000
_diffrn_orient_matrix_UB_21      0.0865695000
_diffrn_orient_matrix_UB_22      -0.0590035000
_diffrn_orient_matrix_UB_23      0.0523968000
_diffrn_orient_matrix_UB_31      0.0328335000
_diffrn_orient_matrix_UB_32      0.0121564000
_diffrn_orient_matrix_UB_33      -0.0730777000
_diffrn_oxdiff_digest_frames     
;
01bb30a13e78ecb40bd43787fd31c9375f039729677
;
_diffrn_oxdiff_digest_hkl        
;
01a1d9a94bd7eb2494937d380a2f543cfeedbe
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.498
_reflns_Friedel_fraction_full    0.518
_reflns_Friedel_fraction_max     0.490
_reflns_number_gt                10680
_reflns_number_total             10797
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     75.12
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.29a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.29a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.29a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.088
_refine_diff_density_min         -1.224
_refine_diff_density_rms         0.114
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.214(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     812
_refine_ls_number_reflns         10797
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0381
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0528P)²+11.5355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1029
_refine_special_details          'Refined as a 2-component inversion twin.,Twin'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.786(8)
 0.214(8)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C60(H60), C15(H15), N2(H2), C62(H62), C2(H2A), C26(H26), N3(H3),
 C27(H27), C72(H72), C24(H24), N1(H1), C20(H20), C3(H3A), C63(H63), C28(H28),
 C38(H38), C71(H71), C58(H58), C36(H36), C35(H35), C30(H30), C16(H16), C51(H51),
  C70(H70), C6(H6), C48(H48), C69(H69), C50(H50), C17(H17), C34(H34), C68(H68),
 C29(H29), C5(H5), C4(H4), C64(H64), C10(H10), C22(H22), C59(H59), C52(H52),
 C54(H54), C21(H21), C57(H57), C40(H40), C8(H8), C18(H18), C9(H9), C44(H44),
 C12(H12), C23(H23), C33(H33), C66(H66), C45(H45), C56(H56), C65(H65), C42(H42),
  C32(H32), C41(H41), C47(H47), C11(H11), C53(H53), C46(H46), C39(H39)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.43498(3) 0.16681(3) 0.53443(3) 0.01913(12) Uani 1 1 d . . . . .
Ag2 Ag 0.46954(3) 0.38700(3) 0.49641(3) 0.01997(12) Uani 1 1 d . . . . .
Ag3 Ag 0.56878(3) 0.20961(3) 0.44132(3) 0.02124(13) Uani 1 1 d . . . . .
P6 P 0.47176(11) -0.00542(11) 0.53027(12) 0.0145(3) Uani 1 1 d . . . . .
P5 P 0.60733(11) 0.03731(12) 0.45360(12) 0.0147(3) Uani 1 1 d . . . . .
P4 P 0.64046(11) 0.33211(12) 0.38582(12) 0.0165(3) Uani 1 1 d . . . . .
P1 P 0.33075(11) 0.22723(12) 0.59546(12) 0.0152(3) Uani 1 1 d . . . . .
P2 P 0.35116(11) 0.43238(11) 0.54622(12) 0.0156(3) Uani 1 1 d . . . . .
Cl1 Cl 0.39025(12) 0.24108(13) 0.37489(13) 0.0262(4) Uani 1 1 d . . . . .
P3 P 0.54656(11) 0.49494(12) 0.43261(12) 0.0171(3) Uani 1 1 d . . . . .
Cl2 Cl 0.58972(12) 0.26483(13) 0.60592(13) 0.0262(4) Uani 1 1 d . . . . .
O1 O 0.1717(4) 0.4008(5) 0.6563(4) 0.0313(13) Uani 1 1 d . . . . .
C14 C 0.3824(5) 0.5090(5) 0.7109(5) 0.0225(15) Uani 1 1 d . . . . .
H14 H 0.349806 0.455998 0.717739 0.027 Uiso 1 1 calc R . . . .
N4 N 0.1745(5) 0.4201(5) 0.7305(5) 0.0305(16) Uani 1 1 d . . . . .
C13 C 0.3931(5) 0.5211(5) 0.6348(5) 0.0174(14) Uani 1 1 d . . . . .
C19 C 0.2537(5) 0.4939(5) 0.4634(5) 0.0195(14) Uani 1 1 d . . . . .
O2 O 0.2495(5) 0.4231(6) 0.7944(5) 0.0469(17) Uani 1 1 d . . . . .
C55 C 0.7227(5) 0.0127(5) 0.5341(5) 0.0167(13) Uani 1 1 d . . . . .
C60 C 0.7880(5) -0.0377(6) 0.5160(5) 0.0258(16) Uani 1 1 d . . . . .
H60 H 0.774759 -0.059366 0.460196 0.031 Uiso 1 1 calc R . . . .
C67 C 0.5258(5) -0.0627(5) 0.6360(5) 0.0188(14) Uani 1 1 d . . . . .
C15 C 0.4205(6) 0.5763(6) 0.7777(5) 0.0254(16) Uani 1 1 d . . . . .
H15 H 0.413272 0.568167 0.829082 0.031 Uiso 1 1 calc R . . . .
N2 N 0.5958(4) 0.4449(4) 0.3713(5) 0.0217(13) Uani 1 1 d . . . . .
H2 H 0.598203 0.479349 0.329931 0.026 Uiso 1 1 calc R . . . .
C62 C 0.3057(5) -0.0392(5) 0.3966(5) 0.0228(15) Uani 1 1 d . . . . .
H62 H 0.314712 0.022834 0.379453 0.027 Uiso 1 1 calc R . . . .
C2 C 0.1378(5) 0.2169(5) 0.5176(5) 0.0205(14) Uani 1 1 d . . . . .
H2A H 0.137505 0.284553 0.515936 0.025 Uiso 1 1 calc R . . . .
C7 C 0.3696(5) 0.2036(5) 0.7117(5) 0.0185(14) Uani 1 1 d . . . . .
C26 C 0.4520(5) 0.6715(5) 0.3792(6) 0.0237(15) Uani 1 1 d . . . . .
H26 H 0.485685 0.693772 0.435018 0.028 Uiso 1 1 calc R . . . .
N3 N 0.5392(4) -0.0389(4) 0.4804(4) 0.0180(12) Uani 1 1 d . . . . .
H3 H 0.539195 -0.099447 0.467342 0.022 Uiso 1 1 calc R . . . .
C27 C 0.3861(5) 0.7309(5) 0.3193(6) 0.0238(16) Uani 1 1 d . . . . .
H27 H 0.376235 0.793229 0.335260 0.029 Uiso 1 1 calc R . . . .
C72 C 0.6109(5) -0.1096(5) 0.6642(5) 0.0179(14) Uani 1 1 d . . . . .
H72 H 0.638908 -0.118154 0.626268 0.021 Uiso 1 1 calc R . . . .
C24 C 0.1790(5) 0.5249(5) 0.4796(5) 0.0225(15) Uani 1 1 d . . . . .
H24 H 0.178974 0.516143 0.534055 0.027 Uiso 1 1 calc R . . . .
C37 C 0.6344(6) 0.3092(5) 0.2765(5) 0.0228(15) Uani 1 1 d . . . . .
N1 N 0.3034(4) 0.3461(4) 0.5855(5) 0.0206(13) Uani 1 1 d . . . . .
H1 H 0.261641 0.364507 0.601670 0.025 Uiso 1 1 calc R . . . .
C20 C 0.2536(5) 0.5097(5) 0.3823(5) 0.0223(15) Uani 1 1 d . . . . .
H20 H 0.302881 0.489458 0.371010 0.027 Uiso 1 1 calc R . . . .
C3 C 0.0551(5) 0.1652(6) 0.4850(6) 0.0266(17) Uani 1 1 d . . . . .
H3A H 0.000223 0.198824 0.461847 0.032 Uiso 1 1 calc R . . . .
C63 C 0.2292(5) -0.0921(6) 0.3457(5) 0.0243(16) Uani 1 1 d . . . . .
H63 H 0.187631 -0.066424 0.293991 0.029 Uiso 1 1 calc R . . . .
C1 C 0.2193(5) 0.1671(5) 0.5521(4) 0.0166(13) Uani 1 1 d . . . . .
O3 O 0.1039(6) 0.4309(9) 0.7415(7) 0.074(3) Uani 1 1 d . . . . .
C28 C 0.3360(5) 0.6984(6) 0.2376(6) 0.0254(16) Uani 1 1 d . . . . .
H28 H 0.292631 0.739009 0.198161 0.031 Uiso 1 1 calc R . . . .
C38 C 0.7121(6) 0.3005(8) 0.2587(6) 0.035(2) Uani 1 1 d . . . . .
H38 H 0.769947 0.304796 0.302975 0.042 Uiso 1 1 calc R . . . .
C25 C 0.4670(5) 0.5781(5) 0.3548(5) 0.0202(14) Uani 1 1 d . . . . .
C71 C 0.6524(5) -0.1426(5) 0.7473(6) 0.0243(16) Uani 1 1 d . . . . .
H71 H 0.708994 -0.172626 0.765471 0.029 Uiso 1 1 calc R . . . .
C58 C 0.8938(5) -0.0224(6) 0.6652(6) 0.0272(17) Uani 1 1 d . . . . .
H58 H 0.950414 -0.035601 0.709085 0.033 Uiso 1 1 calc R . . . .
C36 C 0.6502(5) 0.5712(5) 0.5957(6) 0.0269(17) Uani 1 1 d . . . . .
H36 H 0.619612 0.525870 0.614942 0.032 Uiso 1 1 calc R . . . .
C31 C 0.6311(5) 0.5776(5) 0.5084(5) 0.0218(15) Uani 1 1 d . . . . .
C35 C 0.7151(6) 0.6324(7) 0.6551(6) 0.0329(19) Uani 1 1 d . . . . .
H35 H 0.726688 0.628592 0.713451 0.039 Uiso 1 1 calc R . . . .
C30 C 0.4136(5) 0.5452(5) 0.2709(5) 0.0225(15) Uani 1 1 d . . . . .
H30 H 0.421986 0.482464 0.254649 0.027 Uiso 1 1 calc R . . . .
C16 C 0.4689(6) 0.6553(5) 0.7677(6) 0.0282(18) Uani 1 1 d . . . . .
H16 H 0.494243 0.700024 0.812289 0.034 Uiso 1 1 calc R . . . .
C51 C 0.6442(7) -0.0025(7) 0.2327(6) 0.0341(19) Uani 1 1 d . . . . .
H51 H 0.666377 0.034552 0.199525 0.041 Uiso 1 1 calc R . . . .
C61 C 0.3690(5) -0.0783(5) 0.4731(5) 0.0167(13) Uani 1 1 d . . . . .
C70 C 0.6118(6) -0.1322(6) 0.8048(5) 0.0294(18) Uani 1 1 d . . . . .
H70 H 0.640850 -0.154995 0.861152 0.035 Uiso 1 1 calc R . . . .
C6 C 0.2180(5) 0.0640(5) 0.5525(5) 0.0204(14) Uani 1 1 d . . . . .
H6 H 0.272520 0.029553 0.574968 0.025 Uiso 1 1 calc R . . . .
C48 C 0.8045(5) 0.2605(6) 0.5025(6) 0.0267(16) Uani 1 1 d . . . . .
H48 H 0.771291 0.204111 0.499326 0.032 Uiso 1 1 calc R . . . .
C69 C 0.5269(6) -0.0874(6) 0.7777(5) 0.0272(16) Uani 1 1 d . . . . .
H69 H 0.498168 -0.081292 0.815272 0.033 Uiso 1 1 calc R . . . .
C50 C 0.6398(5) 0.0374(6) 0.3062(5) 0.0244(15) Uani 1 1 d . . . . .
H50 H 0.657681 0.101522 0.321568 0.029 Uiso 1 1 calc R . . . .
C17 C 0.4798(6) 0.6677(6) 0.6905(6) 0.0321(19) Uani 1 1 d . . . . .
H17 H 0.512489 0.720383 0.683356 0.039 Uiso 1 1 calc R . . . .
C49 C 0.6083(4) -0.0191(5) 0.3568(4) 0.0168(13) Uani 1 1 d . . . . .
C34 C 0.7622(6) 0.6986(7) 0.6272(7) 0.039(2) Uani 1 1 d . . . . .
H34 H 0.804661 0.740265 0.666231 0.046 Uiso 1 1 calc R . . . .
C68 C 0.4857(6) -0.0517(6) 0.6938(6) 0.0253(16) Uani 1 1 d . . . . .
H68 H 0.429994 -0.019865 0.676227 0.030 Uiso 1 1 calc R . . . .
C29 C 0.3491(6) 0.6045(6) 0.2126(6) 0.0272(17) Uani 1 1 d . . . . .
H29 H 0.314414 0.582590 0.156878 0.033 Uiso 1 1 calc R . . . .
C5 C 0.1368(6) 0.0147(6) 0.5201(6) 0.0276(17) Uani 1 1 d . . . . .
H5 H 0.136471 -0.052999 0.520156 0.033 Uiso 1 1 calc R . . . .
C4 C 0.0551(5) 0.0656(6) 0.4871(5) 0.0269(17) Uani 1 1 d . . . . .
H4 H 0.000185 0.031886 0.466383 0.032 Uiso 1 1 calc R . . . .
C64 C 0.2151(6) -0.1855(5) 0.3732(6) 0.0282(18) Uani 1 1 d . . . . .
H64 H 0.165119 -0.222596 0.338841 0.034 Uiso 1 1 calc R . . . .
C10 C 0.4336(6) 0.1739(6) 0.8890(6) 0.0303(18) Uani 1 1 d . . . . .
H10 H 0.454813 0.162871 0.948112 0.036 Uiso 1 1 calc R . . . .
C22 C 0.1066(5) 0.5835(5) 0.3337(6) 0.0279(18) Uani 1 1 d . . . . .
H22 H 0.057202 0.612813 0.289939 0.034 Uiso 1 1 calc R . . . .
C43 C 0.7615(5) 0.3418(5) 0.4534(5) 0.0212(14) Uani 1 1 d . . . . .
C59 C 0.8729(6) -0.0554(7) 0.5815(6) 0.034(2) Uani 1 1 d . . . . .
H59 H 0.916320 -0.089638 0.569424 0.041 Uiso 1 1 calc R . . . .
C52 C 0.6157(6) -0.0974(7) 0.2086(6) 0.0315(18) Uani 1 1 d . . . . .
H52 H 0.617504 -0.123016 0.158500 0.038 Uiso 1 1 calc R . . . .
C54 C 0.5812(5) -0.1145(5) 0.3326(5) 0.0212(15) Uani 1 1 d . . . . .
H54 H 0.560415 -0.152069 0.366540 0.025 Uiso 1 1 calc R . . . .
C21 C 0.1805(6) 0.5552(6) 0.3183(6) 0.0274(17) Uani 1 1 d . . . . .
H21 H 0.181528 0.566767 0.264655 0.033 Uiso 1 1 calc R . . . .
C57 C 0.8302(6) 0.0298(6) 0.6825(5) 0.0264(16) Uani 1 1 d . . . . .
H57 H 0.844339 0.052729 0.738106 0.032 Uiso 1 1 calc R . . . .
C40 C 0.6156(8) 0.2775(7) 0.1085(7) 0.041(2) Uani 1 1 d . . . . .
H40 H 0.609093 0.267525 0.052020 0.049 Uiso 1 1 calc R . . . .
C8 C 0.3126(6) 0.2176(6) 0.7533(6) 0.0276(17) Uani 1 1 d . . . . .
H8 H 0.252432 0.235986 0.721588 0.033 Uiso 1 1 calc R . . . .
C18 C 0.4414(6) 0.6006(5) 0.6253(5) 0.0240(15) Uani 1 1 d . . . . .
H18 H 0.447934 0.608862 0.573615 0.029 Uiso 1 1 calc R . . . .
C9 C 0.3437(7) 0.2046(7) 0.8418(6) 0.0344(19) Uani 1 1 d . . . . .
H9 H 0.305259 0.216234 0.869580 0.041 Uiso 1 1 calc R . . . .
C44 C 0.8117(6) 0.4263(6) 0.4593(6) 0.0298(17) Uani 1 1 d . . . . .
H44 H 0.783759 0.481052 0.427269 0.036 Uiso 1 1 calc R . . . .
C12 C 0.4590(5) 0.1759(6) 0.7591(6) 0.0257(16) Uani 1 1 d . . . . .
H12 H 0.498163 0.167900 0.731534 0.031 Uiso 1 1 calc R . . . .
C23 C 0.1051(6) 0.5686(6) 0.4148(6) 0.0287(18) Uani 1 1 d . . . . .
H23 H 0.054921 0.587808 0.425020 0.034 Uiso 1 1 calc R . . . .
C33 C 0.7452(7) 0.7022(7) 0.5392(7) 0.038(2) Uani 1 1 d . . . . .
H33 H 0.777969 0.745122 0.520308 0.046 Uiso 1 1 calc R . . . .
C66 C 0.3536(5) -0.1689(5) 0.5018(5) 0.0218(16) Uani 1 1 d . . . . .
H66 H 0.394827 -0.193994 0.554060 0.026 Uiso 1 1 calc R . . . .
C45 C 0.9035(6) 0.4282(7) 0.5132(7) 0.035(2) Uani 1 1 d . . . . .
H45 H 0.937261 0.484519 0.517386 0.042 Uiso 1 1 calc R . . . .
C56 C 0.7449(5) 0.0486(5) 0.6178(5) 0.0217(15) Uani 1 1 d . . . . .
H56 H 0.702587 0.084881 0.629797 0.026 Uiso 1 1 calc R . . . .
C65 C 0.2765(6) -0.2212(6) 0.4520(6) 0.0274(17) Uani 1 1 d . . . . .
H65 H 0.265672 -0.281178 0.471557 0.033 Uiso 1 1 calc R . . . .
C42 C 0.5485(6) 0.2991(7) 0.2109(6) 0.035(2) Uani 1 1 d . . . . .
H42 H 0.497280 0.302067 0.223402 0.042 Uiso 1 1 calc R . . . .
C32 C 0.6805(6) 0.6428(6) 0.4805(6) 0.0318(18) Uani 1 1 d . . . . .
H32 H 0.669614 0.646037 0.422273 0.038 Uiso 1 1 calc R . . . .
C41 C 0.5385(7) 0.2845(7) 0.1267(7) 0.042(2) Uani 1 1 d . . . . .
H41 H 0.480724 0.279436 0.082416 0.050 Uiso 1 1 calc R . . . .
C47 C 0.8957(6) 0.2635(7) 0.5557(6) 0.036(2) Uani 1 1 d . . . . .
H47 H 0.923799 0.208969 0.588138 0.043 Uiso 1 1 calc R . . . .
C11 C 0.4903(6) 0.1601(7) 0.8464(6) 0.034(2) Uani 1 1 d . . . . .
H11 H 0.550134 0.139998 0.877236 0.041 Uiso 1 1 calc R . . . .
C53 C 0.5844(6) -0.1547(6) 0.2591(6) 0.0266(17) Uani 1 1 d . . . . .
H53 H 0.566072 -0.218691 0.243542 0.032 Uiso 1 1 calc R . . . .
C46 C 0.9456(6) 0.3461(8) 0.5612(6) 0.038(2) Uani 1 1 d . . . . .
H46 H 1.007386 0.347332 0.596861 0.045 Uiso 1 1 calc R . . . .
C39 C 0.7012(8) 0.2853(9) 0.1740(7) 0.047(3) Uani 1 1 d . . . . .
H39 H 0.752212 0.280317 0.161368 0.057 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.1870(6) . ?
Ag1 Ag3 3.1952(7) . ?
Ag1 P6 2.4457(16) . ?
Ag1 P1 2.4431(18) . ?
Ag1 Cl1 2.700(2) . ?
Ag1 Cl2 2.6492(19) . ?
Ag2 Ag3 3.2490(7) . ?
Ag2 P2 2.4540(18) . ?
Ag2 Cl1 2.784(2) . ?
Ag2 P3 2.4460(18) . ?
Ag2 Cl2 2.6609(19) . ?
Ag3 P5 2.4333(16) . ?
Ag3 P4 2.4331(18) . ?
Ag3 Cl1 2.6578(19) . ?
Ag3 Cl2 2.776(2) . ?
P6 C67 1.822(8) . ?
P6 N3 1.687(6) . ?
P6 C61 1.834(7) . ?
P5 C55 1.833(7) . ?
P5 N3 1.704(6) . ?
P5 C49 1.820(7) . ?
P4 N2 1.683(6) . ?
P4 C37 1.842(8) . ?
P4 C43 1.818(8) . ?
P1 C7 1.838(8) . ?
P1 N1 1.681(6) . ?
P1 C1 1.834(7) . ?
P2 C13 1.835(8) . ?
P2 C19 1.831(8) . ?
P2 N1 1.687(6) . ?
P3 N2 1.685(7) . ?
P3 C25 1.820(7) . ?
P3 C31 1.835(8) . ?
O1 N4 1.266(10) . ?
C14 C13 1.380(11) . ?
C14 C15 1.397(11) . ?
N4 O2 1.252(11) . ?
N4 O3 1.231(11) . ?
C13 C18 1.386(10) . ?
C19 C24 1.402(11) . ?
C19 C20 1.391(11) . ?
C55 C60 1.390(11) . ?
C55 C56 1.404(11) . ?
C60 C59 1.387(11) . ?
C67 C72 1.409(10) . ?
C67 C68 1.381(11) . ?
C15 C16 1.385(12) . ?
C62 C63 1.386(11) . ?
C62 C61 1.391(11) . ?
C2 C3 1.407(11) . ?
C2 C1 1.379(10) . ?
C7 C8 1.377(11) . ?
C7 C12 1.385(11) . ?
C26 C27 1.395(11) . ?
C26 C25 1.398(10) . ?
C27 C28 1.364(12) . ?
C72 C71 1.368(11) . ?
C24 C23 1.384(11) . ?
C37 C38 1.403(12) . ?
C37 C42 1.384(12) . ?
C20 C21 1.383(11) . ?
C3 C4 1.367(12) . ?
C63 C64 1.413(11) . ?
C1 C6 1.416(9) . ?
C28 C29 1.400(12) . ?
C38 C39 1.391(14) . ?
C25 C30 1.405(11) . ?
C71 C70 1.383(13) . ?
C58 C59 1.395(13) . ?
C58 C57 1.373(12) . ?
C36 C31 1.387(13) . ?
C36 C35 1.399(12) . ?
C31 C32 1.401(11) . ?
C35 C34 1.383(15) . ?
C30 C29 1.373(11) . ?
C16 C17 1.399(14) . ?
C51 C50 1.389(12) . ?
C51 C52 1.386(14) . ?
C61 C66 1.395(9) . ?
C70 C69 1.393(13) . ?
C6 C5 1.371(11) . ?
C48 C43 1.396(11) . ?
C48 C47 1.375(12) . ?
C69 C68 1.392(12) . ?
C50 C49 1.395(11) . ?
C17 C18 1.379(12) . ?
C49 C54 1.389(10) . ?
C34 C33 1.403(16) . ?
C5 C4 1.389(13) . ?
C64 C65 1.389(13) . ?
C10 C9 1.403(13) . ?
C10 C11 1.387(14) . ?
C22 C21 1.370(13) . ?
C22 C23 1.399(14) . ?
C43 C44 1.393(11) . ?
C52 C53 1.399(13) . ?
C54 C53 1.383(12) . ?
C57 C56 1.389(11) . ?
C40 C41 1.395(17) . ?
C40 C39 1.377(15) . ?
C8 C9 1.386(13) . ?
C44 C45 1.385(13) . ?
C12 C11 1.373(13) . ?
C33 C32 1.377(13) . ?
C66 C65 1.384(11) . ?
C45 C46 1.395(15) . ?
C42 C41 1.385(15) . ?
C47 C46 1.370(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
Ag2 Ag1 Ag3 61.203(15) . . ?
P6 Ag1 Ag2 147.96(5) . . ?
P6 Ag1 Ag3 86.84(4) . . ?
P6 Ag1 Cl1 107.80(6) . . ?
P6 Ag1 Cl2 108.16(6) . . ?
P1 Ag1 Ag2 88.22(4) . . ?
P1 Ag1 Ag3 149.40(4) . . ?
P1 Ag1 P6 123.76(6) . . ?
P1 Ag1 Cl1 110.23(6) . . ?
P1 Ag1 Cl2 108.13(6) . . ?
Cl1 Ag1 Ag2 55.71(4) . . ?
Cl1 Ag1 Ag3 52.79(4) . . ?
Cl2 Ag1 Ag2 53.29(4) . . ?
Cl2 Ag1 Ag3 55.78(5) . . ?
Cl2 Ag1 Cl1 94.89(6) . . ?
Ag1 Ag2 Ag3 59.522(15) . . ?
P2 Ag2 Ag1 87.04(4) . . ?
P2 Ag2 Ag3 145.94(4) . . ?
P2 Ag2 Cl1 104.55(6) . . ?
P2 Ag2 Cl2 111.39(6) . . ?
Cl1 Ag2 Ag1 53.25(4) . . ?
Cl1 Ag2 Ag3 51.58(4) . . ?
P3 Ag2 Ag1 145.61(5) . . ?
P3 Ag2 Ag3 86.10(4) . . ?
P3 Ag2 P2 126.87(6) . . ?
P3 Ag2 Cl1 105.73(6) . . ?
P3 Ag2 Cl2 109.64(6) . . ?
Cl2 Ag2 Ag1 52.95(4) . . ?
Cl2 Ag2 Ag3 54.95(5) . . ?
Cl2 Ag2 Cl1 92.69(6) . . ?
Ag1 Ag3 Ag2 59.274(14) . . ?
P5 Ag3 Ag1 88.73(5) . . ?
P5 Ag3 Ag2 147.36(5) . . ?
P5 Ag3 Cl1 112.83(6) . . ?
P5 Ag3 Cl2 104.88(6) . . ?
P4 Ag3 Ag1 146.82(5) . . ?
P4 Ag3 Ag2 87.55(4) . . ?
P4 Ag3 P5 124.15(6) . . ?
P4 Ag3 Cl1 108.83(6) . . ?
P4 Ag3 Cl2 108.43(6) . . ?
Cl1 Ag3 Ag1 54.00(5) . . ?
Cl1 Ag3 Ag2 55.15(4) . . ?
Cl1 Ag3 Cl2 92.94(6) . . ?
Cl2 Ag3 Ag1 52.10(4) . . ?
Cl2 Ag3 Ag2 51.69(4) . . ?
C67 P6 Ag1 114.4(2) . . ?
C67 P6 C61 104.5(3) . . ?
N3 P6 Ag1 119.3(2) . . ?
N3 P6 C67 103.2(3) . . ?
N3 P6 C61 102.1(3) . . ?
C61 P6 Ag1 111.5(2) . . ?
C55 P5 Ag3 112.9(2) . . ?
N3 P5 Ag3 116.8(2) . . ?
N3 P5 C55 104.7(3) . . ?
N3 P5 C49 102.7(3) . . ?
C49 P5 Ag3 115.6(2) . . ?
C49 P5 C55 102.5(3) . . ?
N2 P4 Ag3 116.9(2) . . ?
N2 P4 C37 99.5(4) . . ?
N2 P4 C43 108.0(3) . . ?
C37 P4 Ag3 115.5(2) . . ?
C43 P4 Ag3 111.1(3) . . ?
C43 P4 C37 104.6(4) . . ?
C7 P1 Ag1 113.6(2) . . ?
N1 P1 Ag1 118.9(2) . . ?
N1 P1 C7 103.9(3) . . ?
N1 P1 C1 103.0(3) . . ?
C1 P1 Ag1 113.8(2) . . ?
C1 P1 C7 101.7(3) . . ?
C13 P2 Ag2 111.8(2) . . ?
C19 P2 Ag2 113.3(3) . . ?
C19 P2 C13 103.7(3) . . ?
N1 P2 Ag2 119.8(2) . . ?
N1 P2 C13 102.6(3) . . ?
N1 P2 C19 104.0(3) . . ?
Ag1 Cl1 Ag2 71.05(5) . . ?
Ag3 Cl1 Ag1 73.22(5) . . ?
Ag3 Cl1 Ag2 73.28(5) . . ?
N2 P3 Ag2 118.3(2) . . ?
N2 P3 C25 100.2(4) . . ?
N2 P3 C31 106.5(3) . . ?
C25 P3 Ag2 111.6(2) . . ?
C25 P3 C31 102.8(3) . . ?
C31 P3 Ag2 115.4(3) . . ?
Ag1 Cl2 Ag2 73.76(5) . . ?
Ag1 Cl2 Ag3 72.12(5) . . ?
Ag2 Cl2 Ag3 73.35(5) . . ?
C13 C14 C15 119.9(7) . . ?
O2 N4 O1 120.0(7) . . ?
O3 N4 O1 120.7(8) . . ?
O3 N4 O2 119.1(9) . . ?
C14 C13 P2 122.7(5) . . ?
C14 C13 C18 119.5(7) . . ?
C18 C13 P2 117.7(6) . . ?
C24 C19 P2 121.6(6) . . ?
C20 C19 P2 119.1(6) . . ?
C20 C19 C24 119.2(7) . . ?
C60 C55 P5 123.6(6) . . ?
C60 C55 C56 119.5(7) . . ?
C56 C55 P5 116.9(5) . . ?
C59 C60 C55 119.7(8) . . ?
C72 C67 P6 122.7(6) . . ?
C68 C67 P6 118.5(6) . . ?
C68 C67 C72 118.5(7) . . ?
C16 C15 C14 120.2(8) . . ?
P4 N2 P3 124.3(4) . . ?
C63 C62 C61 120.4(7) . . ?
C1 C2 C3 120.0(7) . . ?
C8 C7 P1 121.1(6) . . ?
C8 C7 C12 119.4(8) . . ?
C12 C7 P1 119.4(6) . . ?
C27 C26 C25 119.5(8) . . ?
P6 N3 P5 125.4(3) . . ?
C28 C27 C26 120.6(7) . . ?
C71 C72 C67 120.1(8) . . ?
C23 C24 C19 120.1(8) . . ?
C38 C37 P4 122.8(7) . . ?
C42 C37 P4 117.0(7) . . ?
C42 C37 C38 120.2(8) . . ?
P1 N1 P2 125.4(4) . . ?
C21 C20 C19 120.4(8) . . ?
C4 C3 C2 120.3(7) . . ?
C62 C63 C64 119.4(7) . . ?
C2 C1 P1 123.5(5) . . ?
C2 C1 C6 119.0(7) . . ?
C6 C1 P1 117.5(6) . . ?
C27 C28 C29 120.6(7) . . ?
C39 C38 C37 119.0(9) . . ?
C26 C25 P3 121.0(6) . . ?
C26 C25 C30 119.2(7) . . ?
C30 C25 P3 119.5(5) . . ?
C72 C71 C70 121.3(7) . . ?
C57 C58 C59 119.6(7) . . ?
C31 C36 C35 120.5(8) . . ?
C36 C31 P3 119.2(6) . . ?
C36 C31 C32 119.4(7) . . ?
C32 C31 P3 121.3(7) . . ?
C34 C35 C36 120.0(9) . . ?
C29 C30 C25 120.7(7) . . ?
C15 C16 C17 120.0(7) . . ?
C52 C51 C50 120.3(9) . . ?
C62 C61 P6 116.3(5) . . ?
C62 C61 C66 120.2(7) . . ?
C66 C61 P6 123.5(5) . . ?
C71 C70 C69 119.4(8) . . ?
C5 C6 C1 120.3(7) . . ?
C47 C48 C43 120.4(8) . . ?
C68 C69 C70 119.3(8) . . ?
C51 C50 C49 119.7(8) . . ?
C18 C17 C16 118.9(8) . . ?
C50 C49 P5 117.1(5) . . ?
C54 C49 P5 123.5(6) . . ?
C54 C49 C50 119.4(7) . . ?
C35 C34 C33 119.3(9) . . ?
C67 C68 C69 121.4(8) . . ?
C30 C29 C28 119.4(8) . . ?
C6 C5 C4 120.2(7) . . ?
C3 C4 C5 120.2(7) . . ?
C65 C64 C63 119.4(7) . . ?
C11 C10 C9 119.1(8) . . ?
C21 C22 C23 120.4(7) . . ?
C48 C43 P4 117.5(6) . . ?
C44 C43 P4 123.1(6) . . ?
C44 C43 C48 119.4(7) . . ?
C60 C59 C58 120.6(8) . . ?
C51 C52 C53 120.4(8) . . ?
C53 C54 C49 121.4(8) . . ?
C22 C21 C20 120.3(8) . . ?
C58 C57 C56 120.6(8) . . ?
C39 C40 C41 120.2(10) . . ?
C7 C8 C9 120.8(8) . . ?
C17 C18 C13 121.6(8) . . ?
C8 C9 C10 119.5(9) . . ?
C45 C44 C43 119.6(8) . . ?
C11 C12 C7 120.6(8) . . ?
C24 C23 C22 119.5(8) . . ?
C32 C33 C34 120.8(9) . . ?
C65 C66 C61 119.5(7) . . ?
C44 C45 C46 120.2(8) . . ?
C57 C56 C55 119.8(7) . . ?
C66 C65 C64 120.9(7) . . ?
C37 C42 C41 120.2(9) . . ?
C33 C32 C31 120.0(9) . . ?
C42 C41 C40 119.7(9) . . ?
C46 C47 C48 120.5(9) . . ?
C12 C11 C10 120.5(8) . . ?
C54 C53 C52 118.7(8) . . ?
C47 C46 C45 119.9(8) . . ?
C40 C39 C38 120.7(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.703
_oxdiff_exptl_absorpt_empirical_full_min 0.651
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.786(8)
2 0.214(8)

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,Light-sensitive,Photo-sensitive
####################################################################### 
# 
# 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_smallcell
_database_code_depnum_ccdc_archive 'CCDC 1919382'
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Melbourne
Australia
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
_audit_creation_date             2019-05-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Ag2(Ph2PNPPh2)2]'
_chemical_formula_moiety         'C24 H20 Ag N P2'
_chemical_formula_sum            'C24 H20 Ag N P2'
_chemical_formula_weight         492.22
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C24 H20 Ag N P2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8080(2)
_cell_length_b                   10.8055(2)
_cell_length_c                   11.8361(3)
_cell_angle_alpha                77.075(2)
_cell_angle_beta                 76.867(2)
_cell_angle_gamma                77.521(2)
_cell_volume                     1052.91(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.8380
_cell_measurement_theta_min      3.9040
_shelx_estimated_absorpt_T_max   0.710
_shelx_estimated_absorpt_T_min   0.340
_exptl_absorpt_coefficient_mu    9.175
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.14a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             496
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13625
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.001
_diffrn_reflns_theta_min         3.901
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  14.00   0.50    0.05    --  -48.20  73.00  34.00  152
  2  ω    -21.00  27.00   0.50    0.05    --  -48.20  19.00 -30.00   96
  3  ω    -19.00  27.00   0.50    0.05    --  -48.20  19.00  30.00   92
  4  ω    -54.00 -14.00   0.50    0.10    --  -86.25  45.00-150.00   80
  5  ω    -79.00 -41.00   0.50    0.10    --  -86.25  73.00  34.00   76
  6  ω   -116.00 -38.00   0.50    0.05    --  -48.20 -73.00 -94.00  156
  7  ω   -120.00 -95.00   0.50    0.05    --  -48.20-125.00   0.00   50
  8  ω   -159.00-133.00   0.50    0.10    --  -86.25 -73.00 -94.00   52
  9  ω    -16.00  66.00   0.50    0.05    --   48.20 -73.00 -94.00  164
 10  ω     35.00  88.00   0.50    0.10    --  107.75 -73.00 -94.00  106
 11  ω    104.00 131.00   0.50    0.10    --  107.75 -77.00-120.00   54
 12  ω     88.00 116.00   0.50    0.10    --  107.75-125.00   0.00   56
 13  ω     48.00 125.00   0.50    0.10    --  107.75-137.00 -62.64  154
 14  ω     51.00 105.00   0.50    0.10    --  107.75 -94.00   0.00  108
 15  ω     50.00 137.00   0.50    0.10    --  107.75-154.00 -88.57  174
 16  ω     39.00 117.00   0.50    0.10    --  107.75-125.00 120.00  156
 17  ω     35.00  99.00   0.50    0.10    --  107.75 -94.00  30.00  128
 18  ω     43.00  69.00   0.50    0.10    --  107.75 -61.00 120.00   52
 19  ω     44.00 117.00   0.50    0.10    --  107.75-125.00 150.00  146
 20  ω     36.00  80.00   0.50    0.10    --  107.75-125.00   0.00   88
 21  ω     36.00  69.00   0.50    0.10    --  107.75 -61.00 -90.00   66
 22  ω     40.00  98.00   0.50    0.10    --  107.75 -77.00-120.00  116
 23  ω     35.00  66.00   0.50    0.10    --  107.75 -61.00-180.00   62
 24  ω     35.00 117.00   0.50    0.10    --  107.75-125.00-150.00  164
 25  ω    125.00 163.00   0.50    0.10    --  107.75  30.00   0.00   76
 26  ω    146.00 171.00   0.50    0.10    --  107.75  73.00  34.00   50
 27  ω    102.00 174.00   0.50    0.10    --  107.75  77.00   0.00  144
 28  ω     94.00 169.00   0.50    0.10    --  107.75  15.00 120.00  150
 29  ω     91.00 135.00   0.50    0.10    --  107.75  73.00  34.00   88
 30  ω     94.00 176.00   0.50    0.10    --  107.75  15.00  90.00  164
 31  ω     98.00 124.00   0.50    0.10    --  107.75  30.00   0.00   52
 32  ω     92.00 177.00   0.50    0.10    --  107.75  61.00 120.00  170
 33  ω     30.00 113.00   0.50    0.05    --   48.20  73.00  34.00  166
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1034374000
_diffrn_orient_matrix_UB_12      -0.0498910000
_diffrn_orient_matrix_UB_13      0.0952173000
_diffrn_orient_matrix_UB_21      0.0734003000
_diffrn_orient_matrix_UB_22      -0.1206109000
_diffrn_orient_matrix_UB_23      -0.0554728000
_diffrn_orient_matrix_UB_31      0.1310674000
_diffrn_orient_matrix_UB_32      0.0709254000
_diffrn_orient_matrix_UB_33      -0.0796419000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4229
_reflns_number_total             4331
_reflns_odcompleteness_completeness 98.58
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     75.12
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.578
_refine_diff_density_min         -1.364
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         4331
_refine_ls_number_restraints     400
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0323
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0523P)²+0.9910P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0863
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C4A-C5A \\sim C5A-C6A \\sim C6A-C1A \\sim C1A-C2A \\sim C2A-C3A \\sim C3A-C4A
 with sigma of 0.02
 C4A-C2A \\sim C4A-C2A \\sim C1A-C5A \\sim C1A-C3A \\sim C3A-C5A \\sim C2A-C6A
 with sigma of 0.04
 C4-C5 \\sim C5-C6 \\sim C6-C1 \\sim C1-C2 \\sim C2-C3 \\sim C3-C4
 with sigma of 0.02
 C4-C2 \\sim C4-C2 \\sim C1-C5 \\sim C1-C3 \\sim C3-C5 \\sim C2-C6
 with sigma of 0.04
 C11A-C12A \\sim C12A-C7A \\sim C7A-C8A \\sim C8A-C9A \\sim C9A-C10A \\sim
C10A-C11A
 with sigma of 0.02
 C11A-C9A \\sim C11A-C9A \\sim C8A-C12A \\sim C8A-C10A \\sim C10A-C12A \\sim
C9A-C7A
 with sigma of 0.04
 C10-C9 \\sim C9-C8 \\sim C8-C7 \\sim C7-C12 \\sim C12-C11 \\sim C11-C10
 with sigma of 0.02
 C10-C12 \\sim C10-C12 \\sim C7-C9 \\sim C7-C11 \\sim C11-C9 \\sim C12-C8
 with sigma of 0.04
3. Restrained planarity
 C4A, C5A, C6A, C1A, C2A, C3A
 with sigma of 0.1
 C4, C5, C6, C1, C2, C3
 with sigma of 0.1
 C11A, C12A, C7A, C8A, C9A, C10A
 with sigma of 0.1
 C10, C9, C8, C7, C12, C11
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C4A \\sim C5A \\sim C6A \\sim C1A \\sim C2A \\sim C3A: within 2A with sigma of
0.02 and sigma for terminal atoms of 0.04
C4 \\sim C5 \\sim C6 \\sim C1 \\sim C2 \\sim C3: within 2A with sigma of 0.02
and sigma for terminal atoms of 0.04
C11A \\sim C12A \\sim C7A \\sim C8A \\sim C9A \\sim C10A: within 2A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C10 \\sim C9 \\sim C8 \\sim C7 \\sim C12 \\sim C11: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 C4A, C5A, C6A, C1A, C2A, C3A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C4, C5, C6, C1, C2, C3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C11A, C12A, C7A, C8A, C9A, C10A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C10, C9, C8, C7, C12, C11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C4A)=Sof(H4A)=Sof(C5A)=Sof(H5A)=Sof(C6A)=Sof(H6A)=Sof(C1A)=Sof(C2A)=
 Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=Sof(H12A)=Sof(C7A)=
 Sof(C8A)=Sof(H8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10A)=1-FVAR(1)
 Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=Sof(C6)=Sof(H6)=Sof(C1)=Sof(C2)=Sof(H2)=
 Sof(C3)=Sof(H3)=Sof(C10)=Sof(H10)=Sof(C9)=Sof(H9)=Sof(C8)=Sof(H8)=Sof(C7)=
 Sof(C12)=Sof(H12)=Sof(C11)=Sof(H11)=FVAR(1)
7.a Aromatic/amide H refined with riding coordinates:
 C20(H20), C18(H18), C21(H21), C24(H24), C14(H14), C16(H16), C15(H15),
 C17(H17), C23(H23), C22(H22), C4A(H4A), C5A(H5A), C6A(H6A), C2A(H2A), C3A(H3A),
  C4(H4), C5(H5), C6(H6), C2(H2), C3(H3), C11A(H11A), C12A(H12A), C8A(H8A),
 C9A(H9A), C10A(H10A), C10(H10), C9(H9), C8(H8), C12(H12), C11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.45403(2) 0.37507(2) 0.01526(2) 0.01562(9) Uani 1 1 d . . . . .
P1 P 0.54551(8) 0.31439(6) 0.19955(6) 0.01642(14) Uani 1 1 d . . . . .
P2 P 0.61311(8) 0.56665(7) 0.17755(6) 0.01709(15) Uani 1 1 d . . . . .
N1 N 0.6084(3) 0.4199(3) 0.2473(2) 0.0234(5) Uani 1 1 d . . . . .
C20 C 0.9173(3) 0.6218(3) 0.0791(3) 0.0272(6) Uani 1 1 d . . . . .
H20 H 0.889425 0.628643 0.006456 0.033 Uiso 1 1 calc R . . . .
C19 C 0.8074(3) 0.5974(3) 0.1826(3) 0.0250(6) Uani 1 1 d . . . . .
C13 C 0.4809(3) 0.6711(3) 0.2736(3) 0.0227(6) Uani 1 1 d . . . . .
C18 C 0.4007(5) 0.6188(4) 0.3837(3) 0.0468(11) Uani 1 1 d . . . . .
H18 H 0.416569 0.530025 0.409891 0.056 Uiso 1 1 calc R . . . .
C21 C 1.0695(4) 0.6362(4) 0.0839(3) 0.0386(8) Uani 1 1 d . . . . .
H21 H 1.142667 0.652499 0.014436 0.046 Uiso 1 1 calc R . . . .
C24 C 0.8495(4) 0.5903(5) 0.2900(3) 0.0485(11) Uani 1 1 d . . . . .
H24 H 0.776361 0.575125 0.359680 0.058 Uiso 1 1 calc R . . . .
C14 C 0.4541(4) 0.8036(3) 0.2365(3) 0.0319(7) Uani 1 1 d . . . . .
H14 H 0.506020 0.839561 0.162773 0.038 Uiso 1 1 calc R . . . .
C16 C 0.2717(4) 0.8306(5) 0.4170(4) 0.0443(10) Uani 1 1 d . . . . .
H16 H 0.201607 0.883624 0.464923 0.053 Uiso 1 1 calc R . . . .
C15 C 0.3503(4) 0.8838(4) 0.3084(3) 0.0409(8) Uani 1 1 d . . . . .
H15 H 0.334136 0.972719 0.283206 0.049 Uiso 1 1 calc R . . . .
C17 C 0.2967(5) 0.6998(5) 0.4543(4) 0.0620(15) Uani 1 1 d . . . . .
H17 H 0.243544 0.664548 0.527820 0.074 Uiso 1 1 calc R . . . .
C23 C 1.0006(5) 0.6059(7) 0.2941(4) 0.0665(17) Uani 1 1 d . . . . .
H23 H 1.027793 0.602523 0.366331 0.080 Uiso 1 1 calc R . . . .
C22 C 1.1112(4) 0.6263(5) 0.1906(4) 0.0546(13) Uani 1 1 d . . . . .
H22 H 1.213461 0.633334 0.193730 0.065 Uiso 1 1 calc R . . . .
C4A C 0.1646(14) 0.1499(10) 0.5015(11) 0.020(2) Uani 0.480(12) 1 d D U P A 2
H4A H 0.089989 0.115464 0.562842 0.024 Uiso 0.480(12) 1 calc R . P A 2
C5A C 0.1282(7) 0.1970(8) 0.3900(5) 0.0243(18) Uani 0.480(12) 1 d D U P A 2
H5A H 0.028096 0.195882 0.377335 0.029 Uiso 0.480(12) 1 calc R . P A 2
C6A C 0.2407(6) 0.2464(8) 0.2962(5) 0.0176(15) Uani 0.480(12) 1 d D U P A 2
H6A H 0.214453 0.280234 0.222283 0.021 Uiso 0.480(12) 1 calc R . P A 2
C1A C 0.3920(18) 0.244(2) 0.3142(17) 0.017(3) Uani 0.480(12) 1 d D U P A 2
C2A C 0.4255(19) 0.2001(13) 0.4269(14) 0.021(3) Uani 0.480(12) 1 d D U P A 2
H2A H 0.525561 0.201142 0.439600 0.025 Uiso 0.480(12) 1 calc R . P A 2
C3A C 0.3129(17) 0.1542(19) 0.5213(17) 0.022(3) Uani 0.480(12) 1 d D U P A 2
H3A H 0.336589 0.126768 0.596589 0.026 Uiso 0.480(12) 1 calc R . P A 2
C4 C 0.1620(14) 0.1844(10) 0.5124(10) 0.024(2) Uani 0.520(12) 1 d D U P A 1
H4 H 0.083026 0.162253 0.576328 0.028 Uiso 0.520(12) 1 calc R . P A 1
C5 C 0.1226(7) 0.2722(8) 0.4143(5) 0.0297(19) Uani 0.520(12) 1 d D U P A 1
H5 H 0.016969 0.307113 0.411717 0.036 Uiso 0.520(12) 1 calc R . P A 1
C6 C 0.2393(6) 0.3082(8) 0.3203(5) 0.0229(16) Uani 0.520(12) 1 d D U P A 1
H6 H 0.212047 0.367305 0.254731 0.028 Uiso 0.520(12) 1 calc R . P A 1
C1 C 0.3984(15) 0.256(2) 0.3234(15) 0.014(3) Uani 0.520(12) 1 d D U P A 1
C2 C 0.4382(17) 0.1665(11) 0.4215(11) 0.016(2) Uani 0.520(12) 1 d D U P A 1
H2 H 0.543745 0.131562 0.424430 0.019 Uiso 0.520(12) 1 calc R . P A 1
C3 C 0.3189(16) 0.1295(17) 0.5156(15) 0.022(3) Uani 0.520(12) 1 d D U P A 1
H3 H 0.344808 0.068111 0.580342 0.026 Uiso 0.520(12) 1 calc R . P A 1
C11A C 0.9728(10) 0.0687(10) 0.1861(9) 0.035(2) Uani 0.480(12) 1 d D U P A 2
H11A H 1.073195 0.071741 0.196857 0.042 Uiso 0.480(12) 1 calc R . P A 2
C12A C 0.8502(12) 0.1741(10) 0.1989(10) 0.031(2) Uani 0.480(12) 1 d D U P A 2
H12A H 0.869105 0.247243 0.218709 0.037 Uiso 0.480(12) 1 calc R . P A 2
C7A C 0.6997(16) 0.1701(14) 0.1822(14) 0.018(2) Uani 0.480(12) 1 d D U P A 2
C8A C 0.6743(14) 0.0610(12) 0.1510(14) 0.029(2) Uani 0.480(12) 1 d D U P A 2
H8A H 0.575493 0.058342 0.136852 0.035 Uiso 0.480(12) 1 calc R . P A 2
C9A C 0.7960(12) -0.0449(9) 0.1408(9) 0.033(2) Uani 0.480(12) 1 d D U P A 2
H9A H 0.776952 -0.118969 0.122881 0.039 Uiso 0.480(12) 1 calc R . P A 2
C10A C 0.9438(13) -0.0401(9) 0.1572(8) 0.031(2) Uani 0.480(12) 1 d D U P A 2
H10A H 1.024924 -0.110480 0.148770 0.037 Uiso 0.480(12) 1 calc R . P A 2
C10 C 0.9825(9) -0.0058(8) 0.1787(6) 0.0225(16) Uani 0.520(12) 1 d D U P A 1
H10 H 1.072160 -0.069404 0.170502 0.027 Uiso 0.520(12) 1 calc R . P A 1
C9 C 0.8468(12) -0.0206(8) 0.1491(7) 0.0254(16) Uani 0.520(12) 1 d D U P A 1
H9 H 0.843836 -0.093794 0.121229 0.030 Uiso 0.520(12) 1 calc R . P A 1
C8 C 0.7122(12) 0.0760(11) 0.1615(10) 0.024(2) Uani 0.520(12) 1 d D U P A 1
H8 H 0.619484 0.066028 0.142060 0.028 Uiso 0.520(12) 1 calc R . P A 1
C7 C 0.7153(14) 0.1858(13) 0.2020(13) 0.015(2) Uani 0.520(12) 1 d D U P A 1
C12 C 0.8548(9) 0.1984(8) 0.2321(8) 0.0217(16) Uani 0.520(12) 1 d D U P A 1
H12 H 0.858389 0.271319 0.260102 0.026 Uiso 0.520(12) 1 calc R . P A 1
C11 C 0.9878(8) 0.1033(8) 0.2207(7) 0.0270(16) Uani 0.520(12) 1 d D U P A 1
H11 H 1.080298 0.112283 0.241129 0.032 Uiso 0.520(12) 1 calc R . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 2.9070(3) 2_665 ?
Ag1 P1 2.4016(7) . ?
Ag1 P2 2.4008(7) 2_665 ?
P1 N1 1.621(2) . ?
P1 C1A 1.841(19) . ?
P1 C1 1.817(16) . ?
P1 C7A 1.849(14) . ?
P1 C7 1.809(13) . ?
P2 N1 1.620(3) . ?
P2 C19 1.828(3) . ?
P2 C13 1.824(3) . ?
C20 C19 1.391(4) . ?
C20 C21 1.397(4) . ?
C19 C24 1.385(5) . ?
C13 C18 1.393(5) . ?
C13 C14 1.385(5) . ?
C18 C17 1.391(5) . ?
C21 C22 1.369(6) . ?
C24 C23 1.390(5) . ?
C14 C15 1.395(5) . ?
C16 C15 1.378(6) . ?
C16 C17 1.368(7) . ?
C23 C22 1.388(6) . ?
C4A C5A 1.388(11) . ?
C4A C3A 1.391(14) . ?
C5A C6A 1.401(7) . ?
C6A C1A 1.392(14) . ?
C1A C2A 1.388(14) . ?
C2A C3A 1.393(13) . ?
C4 C5 1.385(11) . ?
C4 C3 1.387(13) . ?
C5 C6 1.380(7) . ?
C6 C1 1.399(12) . ?
C1 C2 1.394(12) . ?
C2 C3 1.398(11) . ?
C11A C12A 1.400(10) . ?
C11A C10A 1.384(10) . ?
C12A C7A 1.394(11) . ?
C7A C8A 1.387(10) . ?
C8A C9A 1.395(10) . ?
C9A C10A 1.372(10) . ?
C10 C9 1.369(9) . ?
C10 C11 1.392(9) . ?
C9 C8 1.404(10) . ?
C8 C7 1.384(9) . ?
C7 C12 1.395(9) . ?
C12 C11 1.385(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 Ag1 88.726(17) . 2_665 ?
P2 Ag1 Ag1 89.915(17) 2_665 2_665 ?
P2 Ag1 P1 174.90(2) 2_665 . ?
N1 P1 Ag1 119.24(9) . . ?
N1 P1 C1A 110.0(8) . . ?
N1 P1 C1 103.6(7) . . ?
N1 P1 C7A 111.4(4) . . ?
N1 P1 C7 100.0(3) . . ?
C1A P1 Ag1 109.0(4) . . ?
C1A P1 C7A 101.2(9) . . ?
C1 P1 Ag1 113.5(4) . . ?
C7A P1 Ag1 104.5(4) . . ?
C7 P1 Ag1 114.4(4) . . ?
C7 P1 C1 104.1(7) . . ?
N1 P2 Ag1 117.96(9) . 2_665 ?
N1 P2 C19 105.22(14) . . ?
N1 P2 C13 106.48(14) . . ?
C19 P2 Ag1 114.30(10) . 2_665 ?
C13 P2 Ag1 109.49(10) . 2_665 ?
C13 P2 C19 101.95(12) . . ?
P2 N1 P1 123.67(15) . . ?
C19 C20 C21 120.2(3) . . ?
C20 C19 P2 120.4(2) . . ?
C24 C19 P2 120.3(2) . . ?
C24 C19 C20 119.2(3) . . ?
C18 C13 P2 120.6(3) . . ?
C14 C13 P2 120.5(2) . . ?
C14 C13 C18 118.8(3) . . ?
C17 C18 C13 119.8(4) . . ?
C22 C21 C20 120.1(3) . . ?
C19 C24 C23 120.2(3) . . ?
C13 C14 C15 120.8(3) . . ?
C17 C16 C15 120.0(3) . . ?
C16 C15 C14 119.7(4) . . ?
C16 C17 C18 120.8(4) . . ?
C22 C23 C24 120.2(4) . . ?
C21 C22 C23 120.0(3) . . ?
C5A C4A C3A 119.8(11) . . ?
C4A C5A C6A 120.6(7) . . ?
C1A C6A C5A 119.7(9) . . ?
C6A C1A P1 123.3(10) . . ?
C2A C1A P1 117.4(10) . . ?
C2A C1A C6A 119.0(12) . . ?
C1A C2A C3A 121.6(12) . . ?
C4A C3A C2A 119.1(12) . . ?
C5 C4 C3 120.1(10) . . ?
C6 C5 C4 120.3(7) . . ?
C5 C6 C1 120.2(8) . . ?
C6 C1 P1 117.5(9) . . ?
C2 C1 P1 122.9(8) . . ?
C2 C1 C6 119.6(10) . . ?
C1 C2 C3 119.8(10) . . ?
C4 C3 C2 119.9(11) . . ?
C10A C11A C12A 119.6(8) . . ?
C7A C12A C11A 120.4(9) . . ?
C12A C7A P1 117.4(8) . . ?
C8A C7A P1 123.6(8) . . ?
C8A C7A C12A 119.0(10) . . ?
C7A C8A C9A 120.3(9) . . ?
C10A C9A C8A 120.3(7) . . ?
C9A C10A C11A 120.4(7) . . ?
C9 C10 C11 120.7(6) . . ?
C10 C9 C8 119.3(7) . . ?
C7 C8 C9 121.0(8) . . ?
C8 C7 P1 118.5(7) . . ?
C8 C7 C12 118.7(9) . . ?
C12 C7 P1 122.5(7) . . ?
C11 C12 C7 120.7(7) . . ?
C12 C11 C10 119.7(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.533
_oxdiff_exptl_absorpt_empirical_full_min 0.668
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,Light-sensitive
####################################################################### 
# 
# 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_am004
_database_code_depnum_ccdc_archive 'CCDC 1919381'
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Melbourne
Australia
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT413_am004               
;
PROBLEM: Short Inter XH3 .. XHn     H14J     ..H12A     .       1.39 Ang.
RESPONSE: H12A belongs to a low occupancy disorder component.
;
_vrf_PLAT234_am004               
;
PROBLEM: Large Hirshfeld Difference C22      --C23      .       0.26 Ang.
RESPONSE: Attempts to employ a disorder model was not successful
;
_vrf_PLAT306_am004               
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O7 Check
RESPONSE: Hydrogen atoms positions would not converge
;
_vrf_PLAT315_am004               
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).       C154 Check
RESPONSE: Attempt to introduce hydrogen atoms in calculated positions was not successful
;
_vrf_PLAT331_am004               
;
PROBLEM: Small Aver Phenyl C-C Dist C25       -C30      .       1.36 Ang.
RESPONSE: Attempts to employ a disorder model was not successful
;
_vrf_PLAT342_am004               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0207 Ang.
RESPONSE: There is considerable disorder in the compound
;
_vrf_PLAT430_am004               
;
PROBLEM: Short Inter D...A Contact  O1       ..O7       .       2.62 Ang.
RESPONSE: The is thought to be a weak hydrogen bonding interaction. As above hydrogens on O7 would not refine satisfactorily
;
# Added during the CSD deposition process: Wednesday 29 May 2019 04:05 AM
# end Validation Reply Form

_audit_creation_date             2019-05-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Ag10H8(dppa)6](NO3)2'
_chemical_formula_moiety         
'C144 H126 Ag10 N6 P12, 2(C2 H3 N), C4 H10 O, C2 N, 2(N O3), 2.5(O)'
_chemical_formula_sum            'C154 H142 Ag10 N11 O9.50 P12'
_chemical_formula_weight         3749.12
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   16.53950(10)
_cell_length_b                   24.44690(10)
_cell_length_c                   38.1398(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15421.43(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    65220
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      77.7560
_cell_measurement_theta_min      3.2290
_shelx_estimated_absorpt_T_max   0.654
_shelx_estimated_absorpt_T_min   0.293
_exptl_absorpt_coefficient_mu    11.602
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             7476
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            133405
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.454
_diffrn_reflns_theta_min         3.226
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     49.00  74.00   0.50    0.50    --   48.30  79.00 -17.00   50
  2  ω     89.00 154.00   0.50    2.00    --  107.75  79.00 -17.00  130
  3  ω    153.00 178.00   0.50    2.00    --  107.75  45.00 -90.00   50
  4  ω    100.00 162.00   0.50    2.00    --  107.75  45.00 -60.00  124
  5  ω    107.00 139.00   0.50    2.00    --  107.75  45.00 -90.00   64
  6  ω     98.00 177.00   0.50    2.00    --  107.75  15.00 -90.00  158
  7  ω     70.00 129.00   0.50    2.00    --  107.75 -79.00-142.00  118
  8  ω     50.00  76.00   0.50    2.00    --  107.75 -45.00-150.00   52
  9  ω     36.00  77.00   0.50    2.00    --  107.75 -45.00-120.00   82
 10  ω     39.00  77.00   0.50    2.00    --  107.75 -45.00 -90.00   76
 11  ω     46.00 100.00   0.50    2.00    --  107.75 -94.00 -30.00  108
 12  ω     48.00  77.00   0.50    2.00    --  107.75 -45.00  30.00   58
 13  ω     68.00  93.00   0.50    2.00    --  107.75 -61.00  60.00   50
 14  ω    120.00 173.00   0.50    2.00    --  107.75  15.00 150.00  106
 15  ω     46.00  93.00   0.50    2.00    --  107.75 -61.00  90.00   94
 16  ω     39.00  96.00   0.50    2.00    --  107.75 -61.00   0.00  114
 17  ω     42.00  68.00   0.50    2.00    --  107.75 -30.00   0.00   52
 18  ω     39.00  65.00   0.50    2.00    --  107.75 -30.00 -60.00   52
 19  ω     36.00  73.00   0.50    2.00    --  107.75 -45.00   0.00   74
 20  ω     35.00  66.00   0.50    2.00    --  107.75 -30.00  60.00   62
 21  ω     -4.00  37.00   0.50    0.50    --   48.30 -79.00-142.00   82
 22  ω     37.00  63.00   0.50    2.00    --  107.75 -30.00-180.00   52
 23  ω     45.00  70.00   0.50    2.00    --  107.75 -45.00-180.00   50
 24  ω    -70.00  24.00   0.50    0.50    --  -48.30  79.00 -17.00  188
 25  ω    -59.00 -16.00   0.50    2.00    --  -86.25  45.00-180.00   86
 26  ω    -86.00 -61.00   0.50    2.00    --  -86.25  79.00 -17.00   50
 27  ω    -99.00 -67.00   0.50    0.50    --  -48.30 -79.00-142.00   64
 28  ω   -119.00 -87.00   0.50    0.50    --  -48.30-125.00-180.00   64
 29  ω   -135.00-110.00   0.50    2.00    --  -86.25 -79.00-142.00   50
 30  ω   -119.00 -83.00   0.50    0.50    --  -48.30-125.00  30.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.846
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.965
_reflns_number_gt                29891
_reflns_number_total             32323
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.195
_refine_diff_density_min         -1.471
_refine_diff_density_rms         0.142
_refine_ls_abs_structure_details 
;
 Flack x determined using 12742 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1940
_refine_ls_number_reflns         32323
_refine_ls_number_restraints     577
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0893P)²+25.0396P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1330
_refine_ls_wR_factor_ref         0.1368
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{O9A, N9}
{O9, N12}
3. Restrained distances
 C151-N10
 1.137 with sigma of 0.01
 C151-C152
 1.456 with sigma of 0.01
 C152-N10
 2.593 with sigma of 0.02
 C153-C154 = C1H-C1A
 1.456 with sigma of 0.01
 C149-N9
 1.137 with sigma of 0.01
 C149-C150
 1.456 with sigma of 0.01
 C150-N9
 2.593 with sigma of 0.02
 N8-O6 = N8-O5 = N8-O4
 1.24586 with sigma of 0.01
 O6-O5 = O5-O4 = O4-O6
 2.1579 with sigma of 0.02
 N7A-O1A = N7A-O3A = N7A-O2A
 1.24586 with sigma of 0.01
 O1A-O3A = O3A-O2A = O2A-O1A
 2.1579 with sigma of 0.02
 N7-O2 = N7-O3 = N7-O1
 1.24586 with sigma of 0.01
 O2-O3 = O3-O1 = O1-O2
 2.1579 with sigma of 0.02
 C155-N12
 1.137 with sigma of 0.01
 C155-C156
 1.456 with sigma of 0.01
 C156-N12
 2.593 with sigma of 0.02
 N8A-O4A = N8A-O6A = N8A-O5A
 1.24586 with sigma of 0.01
 O4A-O6A = O6A-O5A = O5A-O4A
 2.1579 with sigma of 0.02
 C153-N11 = C1H-N11
 1.137 with sigma of 0.01
 C154-N11 = C1A-N11
 2.593 with sigma of 0.02
 C146-C145 \\sim C147-C148
 with sigma of 0.02
 O10-C145 \\sim O10-C147
 with sigma of 0.02
 C146-O10 \\sim O10-C148
 with sigma of 0.04
 C131-C132 \\sim C132-C127 \\sim C127-C128 \\sim C128-C129 \\sim C129-C130
\\sim C130-C131
 with sigma of 0.02
 C131-C129 \\sim C131-C129 \\sim C128-C132 \\sim C128-C130 \\sim C130-C132
\\sim C129-C127
 with sigma of 0.04
 C1B-C1C \\sim C1C-C1D \\sim C1D-C1E \\sim C1E-C1F \\sim C1F-C1G \\sim C1G-C1B
 with sigma of 0.02
 C1B-C1F \\sim C1B-C1F \\sim C1E-C1C \\sim C1E-C1G \\sim C1G-C1C \\sim C1F-C1D
 with sigma of 0.04
 P11-C1F \\sim P11-C127
 with sigma of 0.02
4. Restrained planarity
 N8, O6, O5, O4
 with sigma of 0.1
 N7A, O1A, O3A, O2A
 with sigma of 0.1
 N7, O2, O3, O1
 with sigma of 0.1
 N8A, O4A, O6A, O5A
 with sigma of 0.1
 C131, C132, C127, C128, C129, C130
 with sigma of 0.1
 C1B, C1C, C1D, C1E, C1F, C1G
 with sigma of 0.1
5. Rigid bond restraints
 N8, O6, O5, O4, N8A, O4A, O6A, O5A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
6. Uiso/Uaniso restraints and constraints
N10 \\sim C151 \\sim C152: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
O10 \\sim C146 \\sim C145 \\sim C147 \\sim C148: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
N8 \\sim O6 \\sim O5 \\sim O4: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
N9 \\sim C149 \\sim C150: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
N7A \\sim O1A \\sim O3A \\sim O2A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
N7 \\sim O2 \\sim O3 \\sim O1: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
N12 \\sim C155 \\sim C156: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
N8A \\sim O4A \\sim O6A \\sim O5A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
C131 \\sim C132 \\sim C127 \\sim C128 \\sim C129 \\sim C130: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C1B \\sim C1C \\sim C1D \\sim C1E \\sim C1F \\sim C1G: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
N11 \\sim C153 \\sim C154: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
N11 \\sim C1H \\sim C1A: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uanis(N8A) \\sim Ueq, Uanis(O4A) \\sim Ueq, Uanis(O6A) \\sim Ueq, Uanis(O5A)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O9A) = Uanis(N9)
Uanis(O9) = Uanis(N12)
7. Rigid body (RIGU) restrains
 N10, C151, C152
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O10, C146, C145, C147, C148
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N8, O6, O5, O4
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N9, C149, C150
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N7A, O1A, O3A, O2A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N7, O2, O3, O1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N12, C155, C156
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N8A, O4A, O6A, O5A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C131, C132, C127, C128, C129, C130
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1B, C1C, C1D, C1E, C1F, C1G
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N11, C153, C154
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N11, C1H, C1A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
8. Others
 Sof(C1B)=Sof(H12A)=Sof(C1C)=Sof(H13A)=Sof(C1D)=Sof(H13B)=Sof(C1E)=Sof(H13C)=
 Sof(C1F)=Sof(C1G)=Sof(H12B)=1-FVAR(1)
 Sof(C131)=Sof(H131)=Sof(C132)=Sof(H132)=Sof(C127)=Sof(C128)=Sof(H128)=
 Sof(C129)=Sof(H129)=Sof(C130)=Sof(H130)=FVAR(1)
 Sof(C153)=Sof(C154)=1-FVAR(2)
 Sof(C1A)=Sof(C1H)=FVAR(2)
 Fixed Sof: N8(0.6) O6(0.6) O5(0.6) O4(0.6) N9(0.5) C149(0.5) C150(0.5)
 H15D(0.5) H15E(0.5) H15F(0.5) N7A(0.4) O1A(0.4) O3A(0.4) O2A(0.4) N7(0.6)
 O2(0.6) O3(0.6) O1(0.6) N12(0.5) C155(0.5) C156(0.5) H15G(0.5) H15H(0.5)
 H15I(0.5) N8A(0.4) O4A(0.4) O6A(0.4) O5A(0.4) O9(0.5) O8(0.5) O9A(0.5)
9.a Secondary CH2 refined with riding coordinates:
 C145(H14D,H14E), C147(H14F,H14G)
9.b Me refined with riding coordinates:
 C148(H14H,H14I,H14J), C150(H15D,H15E,H15F), C156(H15G,H15H,H15I)
9.c Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), N1(H1), C18(H18), N2(H2), N5(H5), N6(H6), C92(H92), C65(H65),
 C48(H48), C16(H16), C134(H134), C126(H126), C140(H140), C116(H116), C110(H110),
  C104(H104), C17(H17), C63(H63), C96(H96), C122(H122), C123(H123), C144(H144),
 C124(H124), C44(H44), C62(H62), C64(H64), C135(H135), C136(H136), C80(H80),
 C74(H74), C105(H105), C100(H100), C84(H84), C111(H111), C112(H112), C98(H98),
 C86(H86), C56(H56), C138(H138), C66(H66), C101(H101), C114(H114), C99(H99),
 C87(H87), C15(H15), C90(H90), C28(H28), C102(H102), C40(H40), C142(H142),
 C68(H68), C22(H22), C83(H83), C14(H14), C137(H137), C75(H75), C57(H57),
 C36(H36), C35(H35), C107(H107), C141(H141), C125(H125), C45(H45), C117(H117),
 C59(H59), C76(H76), C12(H12), C88(H88), C108(H108), C50(H50), C93(H93),
 C41(H41), C58(H58), C77(H77), C113(H113), C69(H69), C60(H60), C81(H81),
 C51(H51), C23(H23), C143(H143), C106(H106), C39(H39), C72(H72), C95(H95),
 C47(H47), C42(H42), C118(H118), C46(H46), C38(H38), C52(H52), C11(H11),
 C82(H82), C2(H2A), C78(H78), C6(H6A), C53(H53), C5(H5A), C32(H32), C54(H54),
 C9(H9), C120(H120), C119(H119), C71(H71), C24(H24), C8(H8), C89(H89), C10(H10),
  C4(H4A), C94(H94), C70(H70), C34(H34), C26(H26), C27(H27), C21(H21), C29(H29),
  C30(H30), C20(H20), C3(H3A), C33(H33), C131(H131), C132(H132), C128(H128),
 C129(H129), C130(H130), C1B(H12A), C1C(H13A), C1D(H13B), C1E(H13C), C1G(H12B)
9.d Idealised Me refined as rotating group:
 C152(H15A,H15B,H15C), C146(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.27225(4) 0.45465(2) 0.54171(2) 0.02828(12) Uani 1 1 d . . . . .
Ag10 Ag 0.28064(3) 0.56525(2) 0.70621(2) 0.02931(13) Uani 1 1 d . . . . .
Ag4 Ag 0.38589(4) 0.50719(3) 0.58731(2) 0.03113(13) Uani 1 1 d . . . . .
Ag6 Ag 0.23635(4) 0.45580(3) 0.67874(2) 0.03392(14) Uani 1 1 d . . . . .
Ag9 Ag 0.38828(4) 0.50848(3) 0.65993(2) 0.03327(14) Uani 1 1 d . . . . .
Ag3 Ag 0.24097(4) 0.56704(2) 0.57024(2) 0.03307(14) Uani 1 1 d . . . . .
Ag7 Ag 0.16928(4) 0.55579(3) 0.64829(2) 0.03433(14) Uani 1 1 d . . . . .
Ag2 Ag 0.16249(4) 0.47028(3) 0.60002(2) 0.03489(14) Uani 1 1 d . . . . .
Ag8 Ag 0.31984(4) 0.60856(3) 0.63380(2) 0.03568(14) Uani 1 1 d . . . . .
Ag5 Ag 0.30797(4) 0.41180(3) 0.61465(2) 0.03632(15) Uani 1 1 d . . . . .
P3 P 0.14832(13) 0.44474(9) 0.50370(6) 0.0305(4) Uani 1 1 d . . . . .
P10 P 0.15924(13) 0.57650(10) 0.74545(6) 0.0320(4) Uani 1 1 d . . . . .
P5 P 0.24307(15) 0.66091(9) 0.54360(7) 0.0372(5) Uani 1 1 d . . . . .
P2 P 0.50679(13) 0.48462(9) 0.55212(6) 0.0300(4) Uani 1 1 d . . . . .
P9 P 0.04759(14) 0.57889(10) 0.68307(6) 0.0331(4) Uani 1 1 d . . . . .
P8 P 0.23268(16) 0.36397(9) 0.70780(7) 0.0377(5) Uani 1 1 d . . . . .
P11 P 0.51440(14) 0.52976(11) 0.69248(6) 0.0352(5) Uani 1 1 d D . . . .
P1 P 0.39369(14) 0.41906(10) 0.50788(6) 0.0328(4) Uani 1 1 d . . . . .
P4 P 0.03879(14) 0.44634(10) 0.56684(7) 0.0364(5) Uani 1 1 d . . . . .
P12 P 0.40623(14) 0.59504(11) 0.73832(6) 0.0363(5) Uani 1 1 d . . . . .
P7 P 0.30629(16) 0.31961(10) 0.64240(7) 0.0374(5) Uani 1 1 d . . . . .
P6 P 0.32570(16) 0.70201(10) 0.60771(7) 0.0394(5) Uani 1 1 d . . . . .
N3 N 0.2915(6) 0.7101(3) 0.5661(3) 0.045(2) Uani 1 1 d . . . . .
H3 H 0.299628 0.741791 0.555755 0.054 Uiso 1 1 calc R . . . .
N4 N 0.2673(7) 0.3120(3) 0.6831(2) 0.047(2) Uani 1 1 d . . . . .
H4 H 0.264886 0.278750 0.691872 0.057 Uiso 1 1 calc R . . . .
N1 N 0.4808(5) 0.4549(4) 0.5140(2) 0.0404(18) Uani 1 1 d . . . . .
H1 H 0.514135 0.458150 0.496156 0.048 Uiso 1 1 calc R . . . .
C109 C 0.1447(6) 0.5234(4) 0.7793(2) 0.0361(19) Uani 1 1 d . . . . .
C31 C 0.1543(6) 0.3812(4) 0.4789(3) 0.038(2) Uani 1 1 d . . . . .
C18 C 0.6015(7) 0.4417(4) 0.6051(3) 0.045(2) Uani 1 1 d . . . . .
H18 H 0.564914 0.460631 0.619954 0.054 Uiso 1 1 calc R . . . .
N2 N 0.0582(5) 0.4383(4) 0.5234(2) 0.0402(18) Uani 1 1 d . . . . .
H2 H 0.016902 0.429853 0.509921 0.048 Uiso 1 1 calc R . . . .
C1 C 0.4208(7) 0.3477(4) 0.5121(3) 0.043(2) Uani 1 1 d . . . . .
N5 N 0.0673(5) 0.5840(4) 0.7258(2) 0.0394(18) Uani 1 1 d . . . . .
H5 H 0.026098 0.591383 0.739674 0.047 Uiso 1 1 calc R . . . .
C43 C -0.0112(6) 0.3825(4) 0.5801(3) 0.043(2) Uani 1 1 d . . . . .
C103 C -0.0037(6) 0.6436(4) 0.6726(3) 0.039(2) Uani 1 1 d . . . . .
N6 N 0.4921(5) 0.5594(5) 0.7310(2) 0.052(2) Uani 1 1 d . . . . .
H6 H 0.526922 0.556131 0.748321 0.062 Uiso 1 1 calc R . . . .
C13 C 0.5910(5) 0.4430(4) 0.5696(3) 0.0370(19) Uani 1 1 d . . . . .
C133 C 0.4315(6) 0.6672(5) 0.7339(3) 0.043(2) Uani 1 1 d . . . . .
C121 C 0.5955(6) 0.5718(5) 0.6736(3) 0.044(2) Uani 1 1 d . . . . .
C91 C 0.1305(7) 0.3420(5) 0.7215(3) 0.046(2) Uani 1 1 d . . . . .
C79 C 0.2508(6) 0.2690(4) 0.6170(3) 0.042(2) Uani 1 1 d . . . . .
C115 C 0.1664(6) 0.6405(4) 0.7707(3) 0.0363(19) Uani 1 1 d . . . . .
C61 C 0.4287(7) 0.7281(4) 0.6071(3) 0.042(2) Uani 1 1 d . . . . .
C19 C 0.5586(6) 0.5469(5) 0.5368(3) 0.043(2) Uani 1 1 d . . . . .
C92 C 0.0925(9) 0.2963(5) 0.7095(3) 0.056(3) Uani 1 1 d . . . . .
H92 H 0.118005 0.274243 0.692237 0.067 Uiso 1 1 calc R . . . .
C139 C 0.3976(7) 0.5849(4) 0.7861(3) 0.042(2) Uani 1 1 d . . . . .
C37 C -0.0443(6) 0.4943(5) 0.5678(3) 0.042(2) Uani 1 1 d . . . . .
C97 C -0.0352(5) 0.5288(4) 0.6818(3) 0.038(2) Uani 1 1 d . . . . .
C65 C 0.5405(8) 0.7761(6) 0.5814(3) 0.058(3) Uani 1 1 d . . . . .
H65 H 0.562068 0.797519 0.562833 0.070 Uiso 1 1 calc R . . . .
C48 C -0.0098(8) 0.3683(5) 0.6142(3) 0.057(3) Uani 1 1 d . . . . .
H48 H 0.017823 0.390783 0.630634 0.068 Uiso 1 1 calc R . . . .
C16 C 0.7175(7) 0.3850(5) 0.5985(4) 0.055(3) Uani 1 1 d . . . . .
H16 H 0.762478 0.366650 0.608566 0.066 Uiso 1 1 calc R . . . .
C85 C 0.2872(7) 0.3564(5) 0.7492(3) 0.046(2) Uani 1 1 d . . . . .
C134 C 0.3745(8) 0.7022(5) 0.7193(3) 0.052(3) Uani 1 1 d . . . . .
H134 H 0.323665 0.688146 0.711952 0.062 Uiso 1 1 calc R . . . .
C126 C 0.5987(7) 0.5786(5) 0.6373(3) 0.047(2) Uani 1 1 d . . . . .
H126 H 0.558668 0.561988 0.622982 0.057 Uiso 1 1 calc R . . . .
C140 C 0.4193(7) 0.5345(5) 0.7998(3) 0.051(3) Uani 1 1 d . . . . .
H140 H 0.444818 0.507641 0.785603 0.061 Uiso 1 1 calc R . . . .
C55 C 0.1410(7) 0.6876(5) 0.5360(3) 0.051(3) Uani 1 1 d . . . . .
C116 C 0.1832(6) 0.6870(4) 0.7516(3) 0.041(2) Uani 1 1 d . . . . .
H116 H 0.186747 0.685081 0.726763 0.049 Uiso 1 1 calc R . . . .
C25 C 0.1302(6) 0.4961(4) 0.4698(3) 0.0379(19) Uani 1 1 d . . . . .
C49 C 0.2851(6) 0.6677(4) 0.4994(3) 0.044(2) Uani 1 1 d . . . . .
C73 C 0.4088(7) 0.2917(4) 0.6446(3) 0.045(2) Uani 1 1 d . . . . .
C110 C 0.0698(6) 0.5088(4) 0.7923(3) 0.042(2) Uani 1 1 d . . . . .
H110 H 0.022665 0.526728 0.783973 0.050 Uiso 1 1 calc R . . . .
C104 C -0.0033(9) 0.6606(6) 0.6386(4) 0.064(4) Uani 1 1 d . . . . .
H104 H 0.023184 0.639422 0.621187 0.077 Uiso 1 1 calc R . . . .
C17 C 0.6650(7) 0.4131(5) 0.6193(4) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.672396 0.412846 0.644013 0.067 Uiso 1 1 calc R . . . .
C63 C 0.5570(8) 0.7297(6) 0.6373(3) 0.055(3) Uani 1 1 d . . . . .
H63 H 0.590089 0.719505 0.656604 0.066 Uiso 1 1 calc R . . . .
C96 C 0.0933(7) 0.3733(5) 0.7479(3) 0.055(3) Uani 1 1 d . . . . .
H96 H 0.119150 0.404982 0.756999 0.066 Uiso 1 1 calc R . . . .
C122 C 0.6522(7) 0.5994(6) 0.6941(4) 0.056(3) Uani 1 1 d . . . . .
H122 H 0.649080 0.596968 0.718912 0.068 Uiso 1 1 calc R . . . .
C123 C 0.7126(8) 0.6302(6) 0.6789(4) 0.065(3) Uani 1 1 d . . . . .
H123 H 0.750832 0.648776 0.693261 0.078 Uiso 1 1 calc R . . . .
C144 C 0.3567(7) 0.6247(5) 0.8059(3) 0.045(2) Uani 1 1 d . . . . .
H144 H 0.340867 0.658592 0.795810 0.055 Uiso 1 1 calc R . . . .
C124 C 0.7174(8) 0.6341(6) 0.6429(4) 0.063(3) Uani 1 1 d . . . . .
H124 H 0.760346 0.653832 0.632208 0.075 Uiso 1 1 calc R . . . .
C44 C -0.0531(8) 0.3489(5) 0.5562(3) 0.052(3) Uani 1 1 d . . . . .
H44 H -0.055810 0.358534 0.532074 0.062 Uiso 1 1 calc R . . . .
C62 C 0.4782(7) 0.7132(5) 0.6359(3) 0.050(3) Uani 1 1 d . . . . .
H62 H 0.456445 0.691624 0.654298 0.060 Uiso 1 1 calc R . . . .
C64 C 0.5890(8) 0.7623(5) 0.6098(3) 0.058(3) Uani 1 1 d . . . . .
H64 H 0.643355 0.774696 0.610847 0.069 Uiso 1 1 calc R . . . .
C67 C 0.2691(7) 0.7533(5) 0.6327(3) 0.046(2) Uani 1 1 d . . . . .
C135 C 0.3913(11) 0.7571(6) 0.7154(4) 0.066(4) Uani 1 1 d . . . . .
H135 H 0.351041 0.780719 0.706107 0.079 Uiso 1 1 calc R . . . .
C136 C 0.4627(11) 0.7774(6) 0.7244(3) 0.068(4) Uani 1 1 d . . . . .
H136 H 0.472955 0.815465 0.721951 0.082 Uiso 1 1 calc R . . . .
C80 C 0.2788(9) 0.2151(5) 0.6107(4) 0.066(3) Uani 1 1 d . . . . .
H80 H 0.327417 0.202238 0.621122 0.079 Uiso 1 1 calc R . . . .
C74 C 0.4639(8) 0.3132(5) 0.6202(4) 0.058(3) Uani 1 1 d . . . . .
H74 H 0.446832 0.340075 0.603778 0.070 Uiso 1 1 calc R . . . .
C7 C 0.3852(6) 0.4273(4) 0.4601(3) 0.040(2) Uani 1 1 d . . . . .
C105 C -0.0429(11) 0.7103(8) 0.6294(5) 0.087(6) Uani 1 1 d . . . . .
H105 H -0.040746 0.723566 0.606020 0.104 Uiso 1 1 calc R . . . .
C100 C -0.1514(8) 0.4470(6) 0.6777(4) 0.065(3) Uani 1 1 d . . . . .
H100 H -0.191344 0.419072 0.676851 0.078 Uiso 1 1 calc R . . . .
C84 C 0.1785(8) 0.2847(6) 0.6026(4) 0.058(3) Uani 1 1 d . . . . .
H84 H 0.159838 0.320981 0.606410 0.070 Uiso 1 1 calc R . . . .
C111 C 0.0630(7) 0.4683(5) 0.8174(3) 0.046(2) Uani 1 1 d . . . . .
H111 H 0.011217 0.458640 0.826252 0.056 Uiso 1 1 calc R . . . .
C112 C 0.1317(8) 0.4416(5) 0.8299(3) 0.050(3) Uani 1 1 d . . . . .
H112 H 0.127529 0.414143 0.847443 0.060 Uiso 1 1 calc R . . . .
C98 C -0.0187(8) 0.4779(6) 0.6945(4) 0.060(3) Uani 1 1 d . . . . .
H98 H 0.032880 0.469983 0.704220 0.072 Uiso 1 1 calc R . . . .
C86 C 0.3528(8) 0.3907(5) 0.7554(3) 0.052(3) Uani 1 1 d . . . . .
H86 H 0.368174 0.417061 0.738297 0.062 Uiso 1 1 calc R . . . .
C56 C 0.1148(9) 0.7362(6) 0.5517(4) 0.062(3) Uani 1 1 d . . . . .
H56 H 0.148285 0.755585 0.567690 0.074 Uiso 1 1 calc R . . . .
C138 C 0.5070(8) 0.6888(7) 0.7435(3) 0.061(3) Uani 1 1 d . . . . .
H138 H 0.546735 0.665950 0.753912 0.073 Uiso 1 1 calc R . . . .
C66 C 0.4614(8) 0.7587(5) 0.5800(3) 0.055(3) Uani 1 1 d . . . . .
H66 H 0.428856 0.767763 0.560354 0.066 Uiso 1 1 calc R . . . .
C101 C -0.1674(9) 0.4987(7) 0.6632(4) 0.072(4) Uani 1 1 d . . . . .
H101 H -0.218158 0.505911 0.652476 0.087 Uiso 1 1 calc R . . . .
C114 C 0.2135(6) 0.4955(4) 0.7904(3) 0.043(2) Uani 1 1 d . . . . .
H114 H 0.264764 0.503488 0.780473 0.052 Uiso 1 1 calc R . . . .
C99 C -0.0787(8) 0.4370(6) 0.6930(4) 0.060(3) Uani 1 1 d . . . . .
H99 H -0.068180 0.402017 0.702864 0.072 Uiso 1 1 calc R . . . .
C87 C 0.3966(9) 0.3862(5) 0.7873(4) 0.066(4) Uani 1 1 d . . . . .
H87 H 0.441451 0.409467 0.791811 0.079 Uiso 1 1 calc R . . . .
C15 C 0.7049(7) 0.3833(5) 0.5626(4) 0.058(3) Uani 1 1 d . . . . .
H15 H 0.739905 0.362196 0.548206 0.070 Uiso 1 1 calc R . . . .
C90 C 0.2672(8) 0.3194(7) 0.7745(4) 0.070(4) Uani 1 1 d . . . . .
H90 H 0.222193 0.296034 0.770526 0.084 Uiso 1 1 calc R . . . .
C28 C 0.1115(9) 0.5761(5) 0.4184(3) 0.057(3) Uani 1 1 d . . . . .
H28 H 0.104928 0.603086 0.400742 0.069 Uiso 1 1 calc R . . . .
C102 C -0.1077(8) 0.5400(5) 0.6646(4) 0.058(3) Uani 1 1 d . . . . .
H102 H -0.116794 0.574719 0.654108 0.069 Uiso 1 1 calc R . . . .
C40 C -0.1656(9) 0.5747(6) 0.5672(4) 0.065(3) Uani 1 1 d . . . . .
H40 H -0.207010 0.601586 0.566740 0.078 Uiso 1 1 calc R . . . .
C142 C 0.3643(8) 0.5631(6) 0.8556(3) 0.057(3) Uani 1 1 d . . . . .
H142 H 0.354439 0.555779 0.879658 0.068 Uiso 1 1 calc R . . . .
C68 C 0.1957(7) 0.7360(6) 0.6475(4) 0.056(3) Uani 1 1 d . . . . .
H68 H 0.178610 0.699144 0.644836 0.067 Uiso 1 1 calc R . . . .
C22 C 0.6271(10) 0.6449(6) 0.5138(5) 0.075(4) Uani 1 1 d . . . . .
H22 H 0.649822 0.677808 0.504901 0.090 Uiso 1 1 calc R . . . .
C83 C 0.1325(10) 0.2497(7) 0.5830(4) 0.070(4) Uani 1 1 d . . . . .
H83 H 0.081728 0.261213 0.573954 0.084 Uiso 1 1 calc R . . . .
C14 C 0.6413(7) 0.4123(5) 0.5475(4) 0.051(3) Uani 1 1 d . . . . .
H14 H 0.632318 0.411340 0.522919 0.061 Uiso 1 1 calc R . . . .
C137 C 0.5228(10) 0.7430(7) 0.7375(4) 0.071(4) Uani 1 1 d . . . . .
H137 H 0.574994 0.757269 0.742410 0.085 Uiso 1 1 calc R . . . .
C75 C 0.5432(8) 0.2950(6) 0.6202(5) 0.069(4) Uani 1 1 d . . . . .
H75 H 0.580953 0.309451 0.603867 0.083 Uiso 1 1 calc R . . . .
C57 C 0.0382(10) 0.7552(7) 0.5431(4) 0.076(4) Uani 1 1 d . . . . .
H57 H 0.020961 0.789497 0.552082 0.091 Uiso 1 1 calc R . . . .
C36 C 0.1887(9) 0.3365(5) 0.4957(4) 0.055(3) Uani 1 1 d . . . . .
H36 H 0.206113 0.339768 0.519391 0.066 Uiso 1 1 calc R . . . .
C35 C 0.1981(10) 0.2864(6) 0.4779(4) 0.066(4) Uani 1 1 d . . . . .
H35 H 0.221440 0.255883 0.489554 0.080 Uiso 1 1 calc R . . . .
C107 C -0.0835(9) 0.7221(6) 0.6879(4) 0.065(4) Uani 1 1 d . . . . .
H107 H -0.110274 0.742999 0.705409 0.078 Uiso 1 1 calc R . . . .
C141 C 0.4025(8) 0.5244(6) 0.8351(3) 0.057(3) Uani 1 1 d . . . . .
H141 H 0.417526 0.490352 0.845132 0.068 Uiso 1 1 calc R . . . .
C125 C 0.6590(7) 0.6088(5) 0.6222(4) 0.058(3) Uani 1 1 d . . . . .
H125 H 0.660947 0.612526 0.597405 0.070 Uiso 1 1 calc R . . . .
C45 C -0.0903(8) 0.3021(6) 0.5681(4) 0.062(3) Uani 1 1 d . . . . .
H45 H -0.117921 0.279246 0.551923 0.075 Uiso 1 1 calc R . . . .
C117 C 0.1952(7) 0.7371(5) 0.7688(3) 0.050(3) Uani 1 1 d . . . . .
H117 H 0.207240 0.768939 0.755503 0.060 Uiso 1 1 calc R . . . .
C59 C 0.0151(9) 0.6795(8) 0.5073(5) 0.075(4) Uani 1 1 d . . . . .
H59 H -0.019277 0.660241 0.491651 0.089 Uiso 1 1 calc R . . . .
C76 C 0.5674(9) 0.2553(6) 0.6443(4) 0.071(4) Uani 1 1 d . . . . .
H76 H 0.621773 0.242720 0.644674 0.085 Uiso 1 1 calc R . . . .
C12 C 0.4060(8) 0.4764(5) 0.4455(3) 0.051(3) Uani 1 1 d . . . . .
H12 H 0.427824 0.504508 0.459859 0.061 Uiso 1 1 calc R . . . .
C88 C 0.3731(11) 0.3474(7) 0.8119(3) 0.078(5) Uani 1 1 d . . . . .
H88 H 0.401997 0.343947 0.833284 0.094 Uiso 1 1 calc R . . . .
C108 C -0.0441(8) 0.6741(5) 0.6975(3) 0.057(3) Uani 1 1 d . . . . .
H108 H -0.044941 0.662305 0.721259 0.068 Uiso 1 1 calc R . . . .
C50 C 0.2664(9) 0.7096(8) 0.4777(4) 0.079(5) Uani 1 1 d . . . . .
H50 H 0.230122 0.736897 0.485860 0.095 Uiso 1 1 calc R . . . .
C93 C 0.0167(10) 0.2815(6) 0.7221(4) 0.068(4) Uani 1 1 d . . . . .
H93 H -0.010179 0.250405 0.712786 0.082 Uiso 1 1 calc R . . . .
C41 C -0.0892(9) 0.5883(6) 0.5624(5) 0.069(4) Uani 1 1 d . . . . .
H41 H -0.076288 0.625720 0.558462 0.083 Uiso 1 1 calc R . . . .
C58 C -0.0119(10) 0.7271(9) 0.5227(5) 0.089(6) Uani 1 1 d . . . . .
H58 H -0.065493 0.739659 0.518717 0.107 Uiso 1 1 calc R . . . .
C77 C 0.5105(12) 0.2340(8) 0.6682(4) 0.086(5) Uani 1 1 d . . . . .
H77 H 0.526097 0.206528 0.684511 0.103 Uiso 1 1 calc R . . . .
C113 C 0.2062(8) 0.4560(5) 0.8161(3) 0.052(3) Uani 1 1 d . . . . .
H113 H 0.253430 0.438272 0.824581 0.062 Uiso 1 1 calc R . . . .
C69 C 0.1489(10) 0.7724(6) 0.6657(4) 0.070(4) Uani 1 1 d . . . . .
H69 H 0.099390 0.760449 0.675791 0.084 Uiso 1 1 calc R . . . .
C60 C 0.0906(8) 0.6595(6) 0.5142(4) 0.064(3) Uani 1 1 d . . . . .
H60 H 0.107911 0.626188 0.503853 0.077 Uiso 1 1 calc R . . . .
C81 C 0.2323(11) 0.1810(6) 0.5885(5) 0.076(4) Uani 1 1 d . . . . .
H81 H 0.252714 0.145992 0.582213 0.092 Uiso 1 1 calc R . . . .
C51 C 0.2972(10) 0.7145(9) 0.4446(5) 0.084(5) Uani 1 1 d . . . . .
H51 H 0.283016 0.744675 0.430152 0.101 Uiso 1 1 calc R . . . .
C23 C 0.5593(18) 0.6450(7) 0.5290(6) 0.110(8) Uani 1 1 d . . . . .
H23 H 0.532053 0.678809 0.532216 0.132 Uiso 1 1 calc R . . . .
C143 C 0.3403(7) 0.6126(5) 0.8411(3) 0.052(3) Uani 1 1 d . . . . .
H143 H 0.312446 0.638488 0.855201 0.062 Uiso 1 1 calc R . . . .
C106 C -0.0846(9) 0.7392(6) 0.6550(5) 0.072(4) Uani 1 1 d . . . . .
H106 H -0.113874 0.771263 0.648923 0.086 Uiso 1 1 calc R . . . .
C39 C -0.1848(9) 0.5180(8) 0.5732(6) 0.096(6) Uani 1 1 d . . . . .
H39 H -0.239417 0.507060 0.576373 0.115 Uiso 1 1 calc R . . . .
C72 C 0.2941(12) 0.8070(6) 0.6367(5) 0.079(5) Uani 1 1 d . . . . .
H72 H 0.343771 0.819337 0.627021 0.095 Uiso 1 1 calc R . . . .
C95 C 0.0183(8) 0.3571(6) 0.7605(4) 0.061(3) Uani 1 1 d . . . . .
H95 H -0.007649 0.378062 0.778207 0.074 Uiso 1 1 calc R . . . .
C47 C -0.0489(10) 0.3206(7) 0.6257(4) 0.071(4) Uani 1 1 d . . . . .
H47 H -0.047965 0.311131 0.649876 0.086 Uiso 1 1 calc R . . . .
C42 C -0.0267(7) 0.5500(6) 0.5628(4) 0.065(4) Uani 1 1 d . . . . .
H42 H 0.027689 0.561582 0.559624 0.078 Uiso 1 1 calc R . . . .
C118 C 0.1898(8) 0.7406(5) 0.8042(4) 0.059(3) Uani 1 1 d . . . . .
H118 H 0.200208 0.774322 0.815743 0.070 Uiso 1 1 calc R . . . .
C46 C -0.0884(9) 0.2878(6) 0.6022(4) 0.066(4) Uani 1 1 d . . . . .
H46 H -0.114188 0.255257 0.609934 0.080 Uiso 1 1 calc R . . . .
C38 C -0.1240(8) 0.4796(6) 0.5744(5) 0.073(4) Uani 1 1 d . . . . .
H38 H -0.136643 0.442606 0.579712 0.088 Uiso 1 1 calc R . . . .
C52 C 0.3496(14) 0.6744(8) 0.4324(4) 0.089(6) Uani 1 1 d . . . . .
H52 H 0.370085 0.675903 0.409164 0.107 Uiso 1 1 calc R . . . .
C11 C 0.3955(10) 0.4853(6) 0.4097(3) 0.065(4) Uani 1 1 d . . . . .
H11 H 0.413201 0.518771 0.399632 0.078 Uiso 1 1 calc R . . . .
C82 C 0.1612(10) 0.1966(7) 0.5763(4) 0.075(4) Uani 1 1 d . . . . .
H82 H 0.129384 0.171793 0.562965 0.090 Uiso 1 1 calc R . . . .
C2 C 0.4890(11) 0.3269(6) 0.4950(5) 0.078(5) Uani 1 1 d . . . . .
H2A H 0.520467 0.350092 0.480421 0.093 Uiso 1 1 calc R . . . .
C78 C 0.4318(10) 0.2532(7) 0.6679(4) 0.070(4) Uani 1 1 d . . . . .
H78 H 0.393714 0.239157 0.684277 0.084 Uiso 1 1 calc R . . . .
C6 C 0.3784(10) 0.3144(5) 0.5329(4) 0.064(3) Uani 1 1 d . . . . .
H6A H 0.332633 0.328025 0.545174 0.077 Uiso 1 1 calc R . . . .
C53 C 0.3713(18) 0.6330(7) 0.4541(5) 0.118(10) Uani 1 1 d . . . . .
H53 H 0.409047 0.606391 0.446319 0.141 Uiso 1 1 calc R . . . .
C5 C 0.4012(15) 0.2587(5) 0.5369(4) 0.084(6) Uani 1 1 d . . . . .
H5A H 0.370206 0.235411 0.551630 0.101 Uiso 1 1 calc R . . . .
C32 C 0.1250(12) 0.3753(7) 0.4457(4) 0.074(4) Uani 1 1 d . . . . .
H32 H 0.098882 0.405205 0.434564 0.089 Uiso 1 1 calc R . . . .
C54 C 0.3386(12) 0.6292(5) 0.4878(4) 0.073(5) Uani 1 1 d . . . . .
H54 H 0.353743 0.599764 0.502656 0.088 Uiso 1 1 calc R . . . .
C9 C 0.3335(10) 0.3966(7) 0.4043(4) 0.071(4) Uani 1 1 d . . . . .
H9 H 0.306836 0.369574 0.390629 0.085 Uiso 1 1 calc R . . . .
C120 C 0.1578(8) 0.6444(5) 0.8061(3) 0.052(3) Uani 1 1 d . . . . .
H120 H 0.144258 0.612759 0.819321 0.063 Uiso 1 1 calc R . . . .
C119 C 0.1688(10) 0.6943(6) 0.8234(4) 0.067(4) Uani 1 1 d . . . . .
H119 H 0.161917 0.696609 0.848041 0.081 Uiso 1 1 calc R . . . .
C71 C 0.2431(15) 0.8426(7) 0.6556(6) 0.106(7) Uani 1 1 d . . . . .
H71 H 0.258898 0.879722 0.658474 0.127 Uiso 1 1 calc R . . . .
C24 C 0.5217(11) 0.5956(6) 0.5418(5) 0.083(5) Uani 1 1 d . . . . .
H24 H 0.471169 0.597275 0.553638 0.100 Uiso 1 1 calc R . . . .
C8 C 0.3474(9) 0.3875(6) 0.4403(3) 0.061(3) Uani 1 1 d . . . . .
H8 H 0.330919 0.354178 0.450827 0.074 Uiso 1 1 calc R . . . .
C89 C 0.3088(10) 0.3142(10) 0.8052(4) 0.089(6) Uani 1 1 d . . . . .
H89 H 0.292857 0.287496 0.821965 0.107 Uiso 1 1 calc R . . . .
C10 C 0.3591(11) 0.4457(7) 0.3886(3) 0.071(4) Uani 1 1 d . . . . .
H10 H 0.351931 0.451704 0.364166 0.085 Uiso 1 1 calc R . . . .
C4 C 0.4618(14) 0.2398(5) 0.5212(4) 0.086(6) Uani 1 1 d . . . . .
H4A H 0.475367 0.202264 0.524076 0.103 Uiso 1 1 calc R . . . .
C94 C -0.0186(9) 0.3114(6) 0.7478(4) 0.064(3) Uani 1 1 d . . . . .
H94 H -0.069512 0.300383 0.756937 0.077 Uiso 1 1 calc R . . . .
C70 C 0.1727(15) 0.8257(9) 0.6697(5) 0.099(6) Uani 1 1 d . . . . .
H70 H 0.139627 0.850700 0.682296 0.119 Uiso 1 1 calc R . . . .
C34 C 0.1743(12) 0.2817(6) 0.4448(4) 0.077(5) Uani 1 1 d . . . . .
H34 H 0.184650 0.248960 0.432202 0.092 Uiso 1 1 calc R . . . .
C26 C 0.1942(9) 0.5121(9) 0.4496(5) 0.095(7) Uani 1 1 d . . . . .
H26 H 0.245700 0.495890 0.453408 0.113 Uiso 1 1 calc R . . . .
C27 C 0.1858(13) 0.5509(9) 0.4238(6) 0.109(8) Uani 1 1 d . . . . .
H27 H 0.230884 0.560619 0.409698 0.131 Uiso 1 1 calc R . . . .
C21 C 0.6679(12) 0.5948(9) 0.5104(6) 0.106(7) Uani 1 1 d . . . . .
H21 H 0.720057 0.593984 0.499934 0.127 Uiso 1 1 calc R . . . .
C29 C 0.0504(12) 0.5613(8) 0.4385(6) 0.098(7) Uani 1 1 d . . . . .
H29 H -0.001069 0.577679 0.435012 0.118 Uiso 1 1 calc R . . . .
C30 C 0.0598(10) 0.5216(9) 0.4652(6) 0.101(7) Uani 1 1 d . . . . .
H30 H 0.015448 0.513029 0.480025 0.122 Uiso 1 1 calc R . . . .
C20 C 0.6342(10) 0.5481(8) 0.5217(6) 0.096(7) Uani 1 1 d . . . . .
H20 H 0.663407 0.514832 0.519290 0.115 Uiso 1 1 calc R . . . .
C3 C 0.5105(14) 0.2731(7) 0.4993(6) 0.097(7) Uani 1 1 d . . . . .
H3A H 0.556764 0.258625 0.487872 0.116 Uiso 1 1 calc R . . . .
C33 C 0.1331(14) 0.3261(7) 0.4281(4) 0.087(5) Uani 1 1 d . . . . .
H33 H 0.111570 0.321786 0.405146 0.105 Uiso 1 1 calc R . . . .
N10 N -0.1794(18) 0.5323(14) 0.7601(8) 0.184(13) Uani 1 1 d D U . . .
C151 C -0.1614(17) 0.5010(14) 0.7817(8) 0.153(11) Uani 1 1 d D U . . .
C152 C -0.1470(17) 0.4611(14) 0.8090(9) 0.171(14) Uani 1 1 d D U . . .
H15A H -0.173660 0.426590 0.802826 0.256 Uiso 1 1 calc GR . . . .
H15B H -0.168801 0.474657 0.831232 0.256 Uiso 1 1 calc GR . . . .
H15C H -0.088689 0.454902 0.811400 0.256 Uiso 1 1 calc GR . . . .
O10 O 0.5961(18) 0.5098(9) 0.8486(6) 0.179(9) Uani 1 1 d D U . . .
C146 C 0.5721(18) 0.6036(12) 0.8745(11) 0.190(15) Uani 1 1 d D U . . .
H14A H 0.604201 0.612094 0.853656 0.285 Uiso 1 1 calc GR . . . .
H14B H 0.587565 0.628184 0.893683 0.285 Uiso 1 1 calc GR . . . .
H14C H 0.514555 0.608345 0.869261 0.285 Uiso 1 1 calc GR . . . .
C145 C 0.588(3) 0.5420(16) 0.8860(8) 0.199(14) Uani 1 1 d D U . . .
H14D H 0.542823 0.527439 0.900055 0.239 Uiso 1 1 calc R . . . .
H14E H 0.638840 0.538882 0.899772 0.239 Uiso 1 1 calc R . . . .
C147 C 0.5883(18) 0.4444(12) 0.8533(8) 0.151(9) Uani 1 1 d D U . . .
H14F H 0.533561 0.433635 0.861270 0.182 Uiso 1 1 calc R . . . .
H14G H 0.629173 0.429891 0.869851 0.182 Uiso 1 1 calc R . . . .
C148 C 0.606(3) 0.425(2) 0.8135(10) 0.25(2) Uani 1 1 d D U . . .
H14H H 0.602903 0.385265 0.812103 0.370 Uiso 1 1 calc R . . . .
H14I H 0.564986 0.441269 0.797904 0.370 Uiso 1 1 calc R . . . .
H14J H 0.659585 0.437566 0.806395 0.370 Uiso 1 1 calc R . . . .
N11 N -0.0882(9) 0.4086(7) 0.4754(4) 0.090(4) Uani 1 1 d D U . . .
C153 C -0.1536(18) 0.425(2) 0.4734(12) 0.098(12) Uani 0.51(5) 1 d D U P A 1
C154 C -0.225(3) 0.455(2) 0.4629(19) 0.15(2) Uani 0.51(5) 1 d D U P A 1
N8 N 0.3095(13) 0.8664(7) 0.5508(6) 0.097(7) Uani 0.6 1 d D U P B 1
O6 O 0.304(3) 0.9057(10) 0.5719(7) 0.170(14) Uani 0.6 1 d D U P B 1
O5 O 0.3595(17) 0.8663(13) 0.5269(8) 0.146(10) Uani 0.6 1 d D U P B 1
O4 O 0.2639(15) 0.8265(7) 0.5532(7) 0.113(8) Uani 0.6 1 d D U P B 1
N9 N -0.0455(10) 0.6270(6) 0.7848(4) 0.098(4) Uani 0.5 1 d D U P C 1
C149 C -0.0527(17) 0.6402(12) 0.8135(5) 0.068(7) Uani 0.5 1 d D U P C 1
C150 C -0.060(3) 0.6650(19) 0.8483(7) 0.105(13) Uani 0.5 1 d D U P C 1
H15D H -0.069464 0.636346 0.865768 0.158 Uiso 0.5 1 calc R . P C 1
H15E H -0.010516 0.684866 0.853940 0.158 Uiso 0.5 1 calc R . P C 1
H15F H -0.106048 0.690517 0.848354 0.158 Uiso 0.5 1 calc R . P C 1
N7A N 0.2453(17) 0.1757(11) 0.7295(10) 0.113(13) Uani 0.4 1 d D U P D 2
O1A O 0.257(3) 0.1254(11) 0.7311(16) 0.17(2) Uani 0.4 1 d D U P D 2
O3A O 0.297(2) 0.2080(14) 0.7189(15) 0.16(2) Uani 0.4 1 d D U P D 2
O2A O 0.178(3) 0.193(2) 0.738(2) 0.22(3) Uani 0.4 1 d D U P D 2
N7 N 0.2548(11) 0.1598(8) 0.6957(6) 0.091(6) Uani 0.6 1 d D U P E 1
O2 O 0.2429(18) 0.1169(9) 0.6790(7) 0.131(9) Uani 0.6 1 d D U P E 1
O3 O 0.2108(13) 0.2007(8) 0.6941(9) 0.138(11) Uani 0.6 1 d D U P E 1
O1 O 0.3093(14) 0.1606(9) 0.7181(7) 0.116(8) Uani 0.6 1 d D U P E 1
C1A C -0.184(2) 0.4913(13) 0.4803(9) 0.083(11) Uani 0.49(5) 1 d D U P A 2
N12 N 0.6106(9) 0.4383(7) 0.4562(5) 0.102(5) Uani 0.5 1 d D U P F 2
C155 C 0.633(4) 0.4577(17) 0.4307(8) 0.135(17) Uani 0.5 1 d D U P F 2
C156 C 0.650(5) 0.4735(19) 0.3946(9) 0.17(2) Uani 0.5 1 d D U P F 2
H15G H 0.687916 0.504308 0.394442 0.248 Uiso 0.5 1 calc R . P F 2
H15H H 0.674063 0.442440 0.382116 0.248 Uiso 0.5 1 calc R . P F 2
H15I H 0.599666 0.484272 0.382992 0.248 Uiso 0.5 1 calc R . P F 2
N8A N 0.315(3) 0.8779(15) 0.5458(11) 0.181(18) Uani 0.4 1 d D U P G 2
O4A O 0.3158(13) 0.8289(13) 0.5372(8) 0.091(8) Uani 0.4 1 d D U P G 2
O6A O 0.376(4) 0.908(2) 0.544(2) 0.22(2) Uani 0.4 1 d D U P G 2
O5A O 0.251(4) 0.898(3) 0.558(2) 0.21(2) Uani 0.4 1 d D U P G 2
C131 C 0.5610(11) 0.3679(7) 0.7064(5) 0.051(5) Uani 0.64(3) 1 d D U P H 1
H131 H 0.532398 0.334665 0.702695 0.061 Uiso 0.64(3) 1 calc R . P H 1
C132 C 0.5252(11) 0.4172(7) 0.6975(5) 0.045(4) Uani 0.64(3) 1 d D U P H 1
H132 H 0.472530 0.417985 0.687666 0.054 Uiso 0.64(3) 1 calc R . P H 1
C127 C 0.5674(11) 0.4653(7) 0.7033(6) 0.040(5) Uani 0.64(3) 1 d D U P H 1
C128 C 0.6433(10) 0.4643(7) 0.7179(6) 0.056(6) Uani 0.64(3) 1 d D U P H 1
H128 H 0.672195 0.497499 0.721273 0.067 Uiso 0.64(3) 1 calc R . P H 1
C129 C 0.6778(10) 0.4148(6) 0.7278(6) 0.060(6) Uani 0.64(3) 1 d D U P H 1
H129 H 0.728550 0.414219 0.739476 0.072 Uiso 0.64(3) 1 calc R . P H 1
C130 C 0.6380(10) 0.3666(7) 0.7205(5) 0.049(5) Uani 0.64(3) 1 d D U P H 1
H130 H 0.663442 0.332536 0.725140 0.059 Uiso 0.64(3) 1 calc R . P H 1
C1B C 0.660(3) 0.4319(18) 0.7543(11) 0.088(12) Uani 0.36(3) 1 d D U P H 2
H12A H 0.695781 0.436436 0.773565 0.105 Uiso 0.36(3) 1 calc R . P H 2
C1C C 0.649(3) 0.3817(19) 0.7401(12) 0.097(14) Uani 0.36(3) 1 d D U P H 2
H13A H 0.676557 0.350773 0.749290 0.117 Uiso 0.36(3) 1 calc R . P H 2
C1D C 0.598(3) 0.376(2) 0.7124(13) 0.093(14) Uani 0.36(3) 1 d D U P H 2
H13B H 0.590867 0.341498 0.701692 0.112 Uiso 0.36(3) 1 calc R . P H 2
C1E C 0.557(3) 0.4201(18) 0.7002(14) 0.085(14) Uani 0.36(3) 1 d D U P H 2
H13C H 0.516148 0.414961 0.682856 0.103 Uiso 0.36(3) 1 calc R . P H 2
C1F C 0.572(3) 0.4715(14) 0.7121(12) 0.062(11) Uani 0.36(3) 1 d D U P H 2
C1G C 0.620(2) 0.4755(16) 0.7412(10) 0.076(11) Uani 0.36(3) 1 d D U P H 2
H12B H 0.624474 0.509945 0.752566 0.091 Uiso 0.36(3) 1 calc R . P H 2
C1H C -0.1280(16) 0.4456(8) 0.4770(8) 0.060(6) Uani 0.49(5) 1 d D U P A 2
O9 O 0.6106(9) 0.4383(7) 0.4562(5) 0.102(5) Uani 0.5 1 d . . P I 1
O8 O 0.521(3) 0.6189(10) 0.3890(8) 0.143(16) Uani 0.5 1 d . . P . .
O9A O -0.0455(10) 0.6270(6) 0.7848(4) 0.098(4) Uani 0.5 1 d . . P J 2
O7 O 0.6148(9) 0.5668(8) 0.7852(3) 0.117(6) 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 Ag4 2.8647(8) . ?
Ag1 Ag3 3.0001(8) . ?
Ag1 Ag2 2.8961(9) . ?
Ag1 Ag5 3.0307(9) . ?
Ag1 P3 2.522(2) . ?
Ag1 P1 2.541(2) . ?
Ag10 Ag6 2.9654(9) . ?
Ag10 Ag9 2.8653(8) . ?
Ag10 Ag7 2.8854(9) . ?
Ag10 Ag8 3.0278(9) . ?
Ag10 P10 2.519(2) . ?
Ag10 P12 2.519(2) . ?
Ag4 Ag9 2.7705(9) . ?
Ag4 Ag3 2.8826(9) . ?
Ag4 Ag8 3.2372(9) . ?
Ag4 Ag5 2.8612(9) . ?
Ag4 P2 2.471(2) . ?
Ag6 Ag9 2.9133(9) . ?
Ag6 Ag7 2.9249(9) . ?
Ag6 Ag2 3.2606(10) . ?
Ag6 Ag5 2.9213(10) . ?
Ag6 P8 2.504(2) . ?
Ag9 Ag8 2.8742(9) . ?
Ag9 Ag5 3.2145(10) . ?
Ag9 P11 2.482(3) . ?
Ag3 Ag7 3.2162(9) . ?
Ag3 Ag2 2.9276(9) . ?
Ag3 Ag8 2.9342(10) . ?
Ag3 P5 2.510(2) . ?
Ag7 Ag2 2.7879(9) . ?
Ag7 Ag8 2.8585(9) . ?
Ag7 P9 2.476(2) . ?
Ag2 Ag5 2.8540(10) . ?
Ag2 P4 2.476(3) . ?
Ag8 P6 2.494(2) . ?
Ag5 P7 2.490(2) . ?
P3 C31 1.820(10) . ?
P3 N2 1.676(8) . ?
P3 C25 1.826(10) . ?
P10 C109 1.846(11) . ?
P10 N5 1.705(8) . ?
P10 C115 1.842(10) . ?
P5 N3 1.681(10) . ?
P5 C55 1.832(11) . ?
P5 C49 1.832(11) . ?
P2 N1 1.681(8) . ?
P2 C13 1.849(10) . ?
P2 C19 1.842(11) . ?
P9 N5 1.669(9) . ?
P9 C103 1.839(10) . ?
P9 C97 1.838(10) . ?
P8 N4 1.683(9) . ?
P8 C91 1.848(12) . ?
P8 C85 1.829(12) . ?
P11 N6 1.680(10) . ?
P11 C121 1.837(11) . ?
P11 C127 1.850(15) . ?
P11 C1F 1.87(2) . ?
P1 N1 1.703(8) . ?
P1 C1 1.808(11) . ?
P1 C7 1.839(10) . ?
P4 N2 1.699(9) . ?
P4 C43 1.837(10) . ?
P4 C37 1.807(11) . ?
P12 N6 1.689(10) . ?
P12 C133 1.822(11) . ?
P12 C139 1.844(10) . ?
P7 N4 1.691(9) . ?
P7 C79 1.821(11) . ?
P7 C73 1.829(12) . ?
P6 N3 1.695(10) . ?
P6 C61 1.819(11) . ?
P6 C67 1.832(11) . ?
C109 C110 1.382(14) . ?
C109 C114 1.393(14) . ?
C31 C36 1.388(16) . ?
C31 C32 1.365(17) . ?
C18 C13 1.364(15) . ?
C18 C17 1.374(16) . ?
C1 C2 1.398(18) . ?
C1 C6 1.336(19) . ?
C43 C48 1.348(17) . ?
C43 C44 1.409(16) . ?
C103 C104 1.361(17) . ?
C103 C108 1.380(15) . ?
C13 C14 1.402(15) . ?
C133 C134 1.389(18) . ?
C133 C138 1.403(15) . ?
C121 C126 1.394(16) . ?
C121 C122 1.394(17) . ?
C91 C92 1.361(16) . ?
C91 C96 1.408(17) . ?
C79 C80 1.416(17) . ?
C79 C84 1.370(17) . ?
C115 C116 1.378(15) . ?
C115 C120 1.361(15) . ?
C61 C62 1.416(17) . ?
C61 C66 1.385(16) . ?
C19 C24 1.35(2) . ?
C19 C20 1.377(19) . ?
C92 C93 1.39(2) . ?
C139 C140 1.386(17) . ?
C139 C144 1.405(15) . ?
C37 C42 1.407(18) . ?
C37 C38 1.389(17) . ?
C97 C98 1.364(17) . ?
C97 C102 1.394(15) . ?
C65 C64 1.39(2) . ?
C65 C66 1.378(19) . ?
C48 C47 1.403(19) . ?
C16 C17 1.361(19) . ?
C16 C15 1.39(2) . ?
C85 C86 1.390(18) . ?
C85 C90 1.364(18) . ?
C134 C135 1.379(18) . ?
C126 C125 1.369(16) . ?
C140 C141 1.397(17) . ?
C55 C56 1.401(19) . ?
C55 C60 1.36(2) . ?
C116 C117 1.405(15) . ?
C25 C26 1.367(18) . ?
C25 C30 1.33(2) . ?
C49 C50 1.352(18) . ?
C49 C54 1.366(19) . ?
C73 C74 1.405(18) . ?
C73 C78 1.351(17) . ?
C110 C111 1.382(15) . ?
C104 C105 1.425(18) . ?
C63 C62 1.364(18) . ?
C63 C64 1.420(19) . ?
C96 C95 1.389(18) . ?
C122 C123 1.379(19) . ?
C123 C124 1.38(2) . ?
C144 C143 1.402(16) . ?
C124 C125 1.39(2) . ?
C44 C45 1.377(17) . ?
C67 C68 1.404(17) . ?
C67 C72 1.38(2) . ?
C135 C136 1.33(2) . ?
C136 C137 1.39(3) . ?
C80 C81 1.42(2) . ?
C74 C75 1.386(19) . ?
C7 C12 1.366(16) . ?
C7 C8 1.381(17) . ?
C105 C106 1.39(2) . ?
C100 C101 1.41(2) . ?
C100 C99 1.359(19) . ?
C84 C83 1.37(2) . ?
C111 C112 1.395(18) . ?
C112 C113 1.384(18) . ?
C98 C99 1.410(18) . ?
C86 C87 1.423(16) . ?
C56 C57 1.39(2) . ?
C138 C137 1.37(2) . ?
C101 C102 1.413(19) . ?
C114 C113 1.381(16) . ?
C87 C88 1.39(2) . ?
C15 C14 1.394(17) . ?
C90 C89 1.36(2) . ?
C28 C27 1.39(3) . ?
C28 C29 1.32(3) . ?
C40 C41 1.32(2) . ?
C40 C39 1.44(2) . ?
C142 C141 1.379(19) . ?
C142 C143 1.388(19) . ?
C68 C69 1.369(19) . ?
C22 C23 1.26(3) . ?
C22 C21 1.40(3) . ?
C83 C82 1.41(2) . ?
C75 C76 1.40(2) . ?
C57 C58 1.33(3) . ?
C36 C35 1.412(18) . ?
C35 C34 1.33(2) . ?
C107 C108 1.391(17) . ?
C107 C106 1.32(2) . ?
C45 C46 1.35(2) . ?
C117 C118 1.35(2) . ?
C59 C58 1.38(3) . ?
C59 C60 1.37(2) . ?
C76 C77 1.41(3) . ?
C12 C11 1.393(17) . ?
C88 C89 1.36(3) . ?
C50 C51 1.37(2) . ?
C93 C94 1.35(2) . ?
C41 C42 1.395(18) . ?
C77 C78 1.38(2) . ?
C69 C70 1.37(3) . ?
C81 C82 1.32(2) . ?
C51 C52 1.39(3) . ?
C23 C24 1.44(2) . ?
C39 C38 1.38(2) . ?
C72 C71 1.41(2) . ?
C95 C94 1.363(19) . ?
C47 C46 1.37(2) . ?
C118 C119 1.39(2) . ?
C52 C53 1.35(3) . ?
C11 C10 1.40(2) . ?
C2 C3 1.37(2) . ?
C6 C5 1.421(19) . ?
C53 C54 1.397(18) . ?
C5 C4 1.25(3) . ?
C32 C33 1.39(2) . ?
C9 C8 1.409(19) . ?
C9 C10 1.41(2) . ?
C120 C119 1.397(18) . ?
C71 C70 1.35(3) . ?
C4 C3 1.42(3) . ?
C34 C33 1.43(3) . ?
C26 C27 1.37(2) . ?
C21 C20 1.34(2) . ?
C29 C30 1.42(2) . ?
N10 C151 1.162(13) . ?
C151 C152 1.447(13) . ?
O10 C145 1.63(3) . ?
O10 C147 1.61(3) . ?
C146 C145 1.59(4) . ?
C147 C148 1.62(4) . ?
N11 C153 1.152(13) . ?
N11 C1H 1.120(12) . ?
C153 C154 1.455(13) . ?
N8 O6 1.256(13) . ?
N8 O5 1.233(13) . ?
N8 O4 1.235(13) . ?
N9 C149 1.150(12) . ?
C149 C150 1.462(13) . ?
N7A O1A 1.246(13) . ?
N7A O3A 1.236(13) . ?
N7A O2A 1.245(13) . ?
N7 O2 1.241(13) . ?
N7 O3 1.240(12) . ?
N7 O1 1.242(13) . ?
C1A C1H 1.455(13) . ?
N12 C155 1.146(13) . ?
C155 C156 1.455(13) . ?
N8A O4A 1.242(13) . ?
N8A O6A 1.249(13) . ?
N8A O5A 1.257(13) . ?
C131 C132 1.383(16) . ?
C131 C130 1.384(17) . ?
C132 C127 1.386(17) . ?
C127 C128 1.373(17) . ?
C128 C129 1.390(16) . ?
C129 C130 1.379(18) . ?
C1B C1C 1.35(3) . ?
C1B C1G 1.36(3) . ?
C1C C1D 1.36(3) . ?
C1D C1E 1.35(3) . ?
C1E C1F 1.36(3) . ?
C1F C1G 1.36(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag4 Ag1 Ag3 58.83(2) . . ?
Ag4 Ag1 Ag2 83.45(2) . . ?
Ag4 Ag1 Ag5 57.99(2) . . ?
Ag3 Ag1 Ag5 90.99(2) . . ?
Ag2 Ag1 Ag3 59.51(2) . . ?
Ag2 Ag1 Ag5 57.52(2) . . ?
P3 Ag1 Ag4 157.69(6) . . ?
P3 Ag1 Ag3 98.99(6) . . ?
P3 Ag1 Ag2 86.83(6) . . ?
P3 Ag1 Ag5 130.76(6) . . ?
P3 Ag1 P1 108.52(7) . . ?
P1 Ag1 Ag4 86.74(5) . . ?
P1 Ag1 Ag3 129.35(6) . . ?
P1 Ag1 Ag2 158.54(6) . . ?
P1 Ag1 Ag5 101.17(6) . . ?
Ag6 Ag10 Ag8 92.65(2) . . ?
Ag9 Ag10 Ag6 59.92(2) . . ?
Ag9 Ag10 Ag7 83.47(2) . . ?
Ag9 Ag10 Ag8 58.30(2) . . ?
Ag7 Ag10 Ag6 59.97(2) . . ?
Ag7 Ag10 Ag8 57.76(2) . . ?
P10 Ag10 Ag6 96.40(6) . . ?
P10 Ag10 Ag9 156.06(6) . . ?
P10 Ag10 Ag7 87.41(6) . . ?
P10 Ag10 Ag8 132.40(6) . . ?
P12 Ag10 Ag6 129.52(7) . . ?
P12 Ag10 Ag9 85.83(6) . . ?
P12 Ag10 Ag7 157.20(7) . . ?
P12 Ag10 Ag8 99.55(6) . . ?
P12 Ag10 P10 109.68(8) . . ?
Ag1 Ag4 Ag3 62.93(2) . . ?
Ag1 Ag4 Ag8 117.03(3) . . ?
Ag9 Ag4 Ag1 128.42(3) . . ?
Ag9 Ag4 Ag3 103.41(3) . . ?
Ag9 Ag4 Ag8 56.52(2) . . ?
Ag9 Ag4 Ag5 69.59(2) . . ?
Ag3 Ag4 Ag8 56.95(2) . . ?
Ag5 Ag4 Ag1 63.91(2) . . ?
Ag5 Ag4 Ag3 96.98(3) . . ?
Ag5 Ag4 Ag8 105.80(3) . . ?
P2 Ag4 Ag1 95.81(5) . . ?
P2 Ag4 Ag9 122.28(6) . . ?
P2 Ag4 Ag3 131.58(6) . . ?
P2 Ag4 Ag8 137.87(6) . . ?
P2 Ag4 Ag5 112.37(6) . . ?
Ag10 Ag6 Ag2 108.66(3) . . ?
Ag9 Ag6 Ag10 58.33(2) . . ?
Ag9 Ag6 Ag7 81.95(2) . . ?
Ag9 Ag6 Ag2 92.78(2) . . ?
Ag9 Ag6 Ag5 66.86(2) . . ?
Ag7 Ag6 Ag10 58.66(2) . . ?
Ag7 Ag6 Ag2 53.24(2) . . ?
Ag5 Ag6 Ag10 121.85(3) . . ?
Ag5 Ag6 Ag7 97.43(3) . . ?
Ag5 Ag6 Ag2 54.66(2) . . ?
P8 Ag6 Ag10 131.18(7) . . ?
P8 Ag6 Ag9 121.75(7) . . ?
P8 Ag6 Ag7 156.30(7) . . ?
P8 Ag6 Ag2 119.72(6) . . ?
P8 Ag6 Ag5 92.87(6) . . ?
Ag10 Ag9 Ag6 61.74(2) . . ?
Ag10 Ag9 Ag8 63.68(2) . . ?
Ag10 Ag9 Ag5 115.49(3) . . ?
Ag4 Ag9 Ag10 127.77(3) . . ?
Ag4 Ag9 Ag6 103.23(3) . . ?
Ag4 Ag9 Ag8 69.96(2) . . ?
Ag4 Ag9 Ag5 56.53(2) . . ?
Ag6 Ag9 Ag5 56.69(2) . . ?
Ag8 Ag9 Ag6 97.01(3) . . ?
Ag8 Ag9 Ag5 106.07(3) . . ?
P11 Ag9 Ag10 96.47(6) . . ?
P11 Ag9 Ag4 120.95(6) . . ?
P11 Ag9 Ag6 133.98(6) . . ?
P11 Ag9 Ag8 109.02(7) . . ?
P11 Ag9 Ag5 140.35(6) . . ?
Ag1 Ag3 Ag7 108.72(3) . . ?
Ag4 Ag3 Ag1 58.24(2) . . ?
Ag4 Ag3 Ag7 93.10(2) . . ?
Ag4 Ag3 Ag2 82.59(2) . . ?
Ag4 Ag3 Ag8 67.62(2) . . ?
Ag2 Ag3 Ag1 58.48(2) . . ?
Ag2 Ag3 Ag7 53.72(2) . . ?
Ag2 Ag3 Ag8 98.98(3) . . ?
Ag8 Ag3 Ag1 122.67(3) . . ?
Ag8 Ag3 Ag7 55.16(2) . . ?
P5 Ag3 Ag1 133.49(7) . . ?
P5 Ag3 Ag4 122.96(6) . . ?
P5 Ag3 Ag7 117.25(6) . . ?
P5 Ag3 Ag2 154.41(6) . . ?
P5 Ag3 Ag8 90.69(7) . . ?
Ag10 Ag7 Ag6 61.37(2) . . ?
Ag10 Ag7 Ag3 117.80(3) . . ?
Ag6 Ag7 Ag3 107.40(3) . . ?
Ag2 Ag7 Ag10 126.25(3) . . ?
Ag2 Ag7 Ag6 69.56(2) . . ?
Ag2 Ag7 Ag3 57.84(2) . . ?
Ag2 Ag7 Ag8 104.23(3) . . ?
Ag8 Ag7 Ag10 63.62(2) . . ?
Ag8 Ag7 Ag6 97.09(3) . . ?
Ag8 Ag7 Ag3 57.41(2) . . ?
P9 Ag7 Ag10 95.19(6) . . ?
P9 Ag7 Ag6 106.63(6) . . ?
P9 Ag7 Ag3 140.91(6) . . ?
P9 Ag7 Ag2 119.47(6) . . ?
P9 Ag7 Ag8 135.15(6) . . ?
Ag1 Ag2 Ag6 117.25(3) . . ?
Ag1 Ag2 Ag3 62.01(2) . . ?
Ag3 Ag2 Ag6 106.19(3) . . ?
Ag7 Ag2 Ag1 125.50(3) . . ?
Ag7 Ag2 Ag6 57.20(2) . . ?
Ag7 Ag2 Ag3 68.44(2) . . ?
Ag7 Ag2 Ag5 102.27(3) . . ?
Ag5 Ag2 Ag1 63.61(2) . . ?
Ag5 Ag2 Ag6 56.61(2) . . ?
Ag5 Ag2 Ag3 96.13(3) . . ?
P4 Ag2 Ag1 95.41(6) . . ?
P4 Ag2 Ag6 138.99(6) . . ?
P4 Ag2 Ag3 111.04(6) . . ?
P4 Ag2 Ag7 123.24(6) . . ?
P4 Ag2 Ag5 132.71(6) . . ?
Ag10 Ag8 Ag4 107.71(2) . . ?
Ag9 Ag8 Ag10 58.02(2) . . ?
Ag9 Ag8 Ag4 53.51(2) . . ?
Ag9 Ag8 Ag3 99.62(3) . . ?
Ag3 Ag8 Ag10 122.50(3) . . ?
Ag3 Ag8 Ag4 55.43(2) . . ?
Ag7 Ag8 Ag10 58.62(2) . . ?
Ag7 Ag8 Ag4 93.12(3) . . ?
Ag7 Ag8 Ag9 83.79(3) . . ?
Ag7 Ag8 Ag3 67.44(2) . . ?
P6 Ag8 Ag10 133.84(7) . . ?
P6 Ag8 Ag4 118.01(7) . . ?
P6 Ag8 Ag9 154.54(7) . . ?
P6 Ag8 Ag3 90.26(7) . . ?
P6 Ag8 Ag7 121.63(7) . . ?
Ag1 Ag5 Ag9 108.64(3) . . ?
Ag4 Ag5 Ag1 58.10(2) . . ?
Ag4 Ag5 Ag6 100.81(3) . . ?
Ag4 Ag5 Ag9 53.88(2) . . ?
Ag6 Ag5 Ag1 124.17(3) . . ?
Ag6 Ag5 Ag9 56.45(2) . . ?
Ag2 Ag5 Ag1 58.87(2) . . ?
Ag2 Ag5 Ag4 84.27(3) . . ?
Ag2 Ag5 Ag6 68.73(2) . . ?
Ag2 Ag5 Ag9 94.88(3) . . ?
P7 Ag5 Ag1 134.48(7) . . ?
P7 Ag5 Ag4 153.85(7) . . ?
P7 Ag5 Ag6 88.46(6) . . ?
P7 Ag5 Ag9 116.22(7) . . ?
P7 Ag5 Ag2 121.81(7) . . ?
C31 P3 Ag1 109.6(3) . . ?
C31 P3 C25 103.2(5) . . ?
N2 P3 Ag1 118.3(3) . . ?
N2 P3 C31 101.6(4) . . ?
N2 P3 C25 103.7(5) . . ?
C25 P3 Ag1 118.3(3) . . ?
C109 P10 Ag10 116.3(3) . . ?
N5 P10 Ag10 117.5(3) . . ?
N5 P10 C109 105.5(4) . . ?
N5 P10 C115 101.2(4) . . ?
C115 P10 Ag10 110.6(3) . . ?
C115 P10 C109 103.8(4) . . ?
N3 P5 Ag3 117.0(3) . . ?
N3 P5 C55 105.4(5) . . ?
N3 P5 C49 103.0(5) . . ?
C55 P5 Ag3 112.1(4) . . ?
C49 P5 Ag3 117.4(4) . . ?
C49 P5 C55 99.8(5) . . ?
N1 P2 Ag4 111.0(3) . . ?
N1 P2 C13 105.5(5) . . ?
N1 P2 C19 101.7(5) . . ?
C13 P2 Ag4 122.4(3) . . ?
C19 P2 Ag4 111.3(4) . . ?
C19 P2 C13 102.7(5) . . ?
N5 P9 Ag7 112.5(3) . . ?
N5 P9 C103 103.7(5) . . ?
N5 P9 C97 102.8(5) . . ?
C103 P9 Ag7 117.1(3) . . ?
C97 P9 Ag7 116.1(3) . . ?
C97 P9 C103 102.9(5) . . ?
N4 P8 Ag6 114.9(3) . . ?
N4 P8 C91 104.4(5) . . ?
N4 P8 C85 103.9(5) . . ?
C91 P8 Ag6 114.1(4) . . ?
C85 P8 Ag6 117.4(4) . . ?
C85 P8 C91 100.3(5) . . ?
N6 P11 Ag9 110.1(3) . . ?
N6 P11 C121 105.2(5) . . ?
N6 P11 C127 106.0(8) . . ?
N6 P11 C1F 95.3(15) . . ?
C121 P11 Ag9 122.4(4) . . ?
C121 P11 C127 102.6(8) . . ?
C121 P11 C1F 102.0(18) . . ?
C127 P11 Ag9 109.4(6) . . ?
C1F P11 Ag9 118.1(14) . . ?
N1 P1 Ag1 115.0(3) . . ?
N1 P1 C1 105.9(5) . . ?
N1 P1 C7 98.3(5) . . ?
C1 P1 Ag1 118.7(4) . . ?
C1 P1 C7 102.3(5) . . ?
C7 P1 Ag1 113.9(3) . . ?
N2 P4 Ag2 111.7(3) . . ?
N2 P4 C43 104.7(5) . . ?
N2 P4 C37 103.9(5) . . ?
C43 P4 Ag2 115.6(4) . . ?
C37 P4 Ag2 117.7(4) . . ?
C37 P4 C43 101.7(5) . . ?
N6 P12 Ag10 117.6(3) . . ?
N6 P12 C133 107.0(5) . . ?
N6 P12 C139 99.1(5) . . ?
C133 P12 Ag10 115.1(4) . . ?
C133 P12 C139 103.8(5) . . ?
C139 P12 Ag10 112.2(3) . . ?
N4 P7 Ag5 119.6(3) . . ?
N4 P7 C79 102.8(5) . . ?
N4 P7 C73 105.7(5) . . ?
C79 P7 Ag5 113.3(3) . . ?
C79 P7 C73 103.8(5) . . ?
C73 P7 Ag5 110.3(4) . . ?
N3 P6 Ag8 117.9(3) . . ?
N3 P6 C61 105.0(5) . . ?
N3 P6 C67 103.7(5) . . ?
C61 P6 Ag8 111.2(3) . . ?
C61 P6 C67 104.2(5) . . ?
C67 P6 Ag8 113.6(4) . . ?
P5 N3 P6 123.6(5) . . ?
P8 N4 P7 124.1(5) . . ?
P2 N1 P1 123.9(5) . . ?
C110 C109 P10 123.4(8) . . ?
C110 C109 C114 119.7(10) . . ?
C114 C109 P10 116.8(7) . . ?
C36 C31 P3 117.0(8) . . ?
C32 C31 P3 123.6(10) . . ?
C32 C31 C36 119.4(12) . . ?
C13 C18 C17 120.1(11) . . ?
P3 N2 P4 126.5(5) . . ?
C2 C1 P1 120.6(10) . . ?
C6 C1 P1 120.8(9) . . ?
C6 C1 C2 118.6(12) . . ?
P9 N5 P10 126.5(5) . . ?
C48 C43 P4 118.4(9) . . ?
C48 C43 C44 118.9(10) . . ?
C44 C43 P4 122.6(9) . . ?
C104 C103 P9 117.8(8) . . ?
C104 C103 C108 119.6(10) . . ?
C108 C103 P9 122.6(9) . . ?
P11 N6 P12 123.5(5) . . ?
C18 C13 P2 117.8(8) . . ?
C18 C13 C14 120.5(10) . . ?
C14 C13 P2 121.6(8) . . ?
C134 C133 P12 118.5(8) . . ?
C134 C133 C138 118.5(12) . . ?
C138 C133 P12 122.9(11) . . ?
C126 C121 P11 118.8(8) . . ?
C122 C121 P11 122.8(9) . . ?
C122 C121 C126 118.3(11) . . ?
C92 C91 P8 124.5(10) . . ?
C92 C91 C96 119.0(11) . . ?
C96 C91 P8 116.3(9) . . ?
C80 C79 P7 123.9(9) . . ?
C84 C79 P7 117.5(9) . . ?
C84 C79 C80 118.6(12) . . ?
C116 C115 P10 115.8(7) . . ?
C120 C115 P10 124.9(9) . . ?
C120 C115 C116 119.3(10) . . ?
C62 C61 P6 116.2(8) . . ?
C66 C61 P6 124.3(9) . . ?
C66 C61 C62 119.4(11) . . ?
C24 C19 P2 118.2(8) . . ?
C24 C19 C20 116.8(12) . . ?
C20 C19 P2 124.9(11) . . ?
C91 C92 C93 121.0(13) . . ?
C140 C139 P12 118.2(8) . . ?
C140 C139 C144 122.5(10) . . ?
C144 C139 P12 118.4(8) . . ?
C42 C37 P4 117.9(8) . . ?
C38 C37 P4 123.9(10) . . ?
C38 C37 C42 118.2(11) . . ?
C98 C97 P9 116.7(8) . . ?
C98 C97 C102 121.3(10) . . ?
C102 C97 P9 121.5(9) . . ?
C66 C65 C64 120.1(11) . . ?
C43 C48 C47 120.5(12) . . ?
C17 C16 C15 119.7(11) . . ?
C86 C85 P8 118.0(9) . . ?
C90 C85 P8 123.9(11) . . ?
C90 C85 C86 118.1(12) . . ?
C135 C134 C133 120.3(13) . . ?
C125 C126 C121 120.7(12) . . ?
C139 C140 C141 118.0(11) . . ?
C56 C55 P5 121.3(11) . . ?
C60 C55 P5 118.8(10) . . ?
C60 C55 C56 119.9(12) . . ?
C115 C116 C117 120.0(10) . . ?
C26 C25 P3 118.0(9) . . ?
C30 C25 P3 123.9(10) . . ?
C30 C25 C26 117.9(12) . . ?
C50 C49 P5 123.0(11) . . ?
C50 C49 C54 118.2(12) . . ?
C54 C49 P5 118.8(9) . . ?
C74 C73 P7 115.5(8) . . ?
C78 C73 P7 123.5(10) . . ?
C78 C73 C74 121.0(12) . . ?
C109 C110 C111 120.5(10) . . ?
C103 C104 C105 119.5(13) . . ?
C16 C17 C18 120.9(12) . . ?
C62 C63 C64 119.4(12) . . ?
C95 C96 C91 118.9(12) . . ?
C123 C122 C121 121.1(13) . . ?
C122 C123 C124 119.7(13) . . ?
C143 C144 C139 117.5(11) . . ?
C123 C124 C125 119.6(12) . . ?
C45 C44 C43 119.3(12) . . ?
C63 C62 C61 120.5(11) . . ?
C65 C64 C63 119.9(12) . . ?
C68 C67 P6 116.4(9) . . ?
C72 C67 P6 123.6(10) . . ?
C72 C67 C68 120.0(12) . . ?
C136 C135 C134 121.1(16) . . ?
C135 C136 C137 120.1(13) . . ?
C79 C80 C81 118.1(14) . . ?
C75 C74 C73 119.6(13) . . ?
C12 C7 P1 118.7(8) . . ?
C12 C7 C8 120.6(10) . . ?
C8 C7 P1 120.0(9) . . ?
C106 C105 C104 119.3(14) . . ?
C99 C100 C101 119.8(12) . . ?
C83 C84 C79 121.9(13) . . ?
C110 C111 C112 120.3(10) . . ?
C113 C112 C111 118.5(10) . . ?
C97 C98 C99 119.5(11) . . ?
C85 C86 C87 119.6(12) . . ?
C57 C56 C55 117.7(16) . . ?
C137 C138 C133 119.3(15) . . ?
C65 C66 C61 120.6(12) . . ?
C100 C101 C102 119.7(12) . . ?
C113 C114 C109 119.2(10) . . ?
C100 C99 C98 120.9(13) . . ?
C88 C87 C86 119.2(15) . . ?
C16 C15 C14 120.4(11) . . ?
C85 C90 C89 123.1(16) . . ?
C29 C28 C27 118.1(12) . . ?
C97 C102 C101 118.6(12) . . ?
C41 C40 C39 118.5(13) . . ?
C141 C142 C143 120.2(11) . . ?
C69 C68 C67 119.9(14) . . ?
C23 C22 C21 118.0(15) . . ?
C84 C83 C82 119.3(14) . . ?
C15 C14 C13 118.2(12) . . ?
C138 C137 C136 120.5(13) . . ?
C74 C75 C76 119.7(15) . . ?
C58 C57 C56 122.4(17) . . ?
C31 C36 C35 120.4(12) . . ?
C34 C35 C36 120.0(14) . . ?
C106 C107 C108 121.5(14) . . ?
C142 C141 C140 121.1(12) . . ?
C126 C125 C124 120.4(13) . . ?
C46 C45 C44 121.6(14) . . ?
C118 C117 C116 120.8(12) . . ?
C60 C59 C58 121.1(17) . . ?
C75 C76 C77 119.4(13) . . ?
C7 C12 C11 120.4(11) . . ?
C89 C88 C87 120.0(13) . . ?
C103 C108 C107 120.1(12) . . ?
C49 C50 C51 123.1(18) . . ?
C94 C93 C92 120.0(12) . . ?
C40 C41 C42 122.5(14) . . ?
C57 C58 C59 118.9(14) . . ?
C78 C77 C76 119.9(15) . . ?
C114 C113 C112 121.7(11) . . ?
C68 C69 C70 120.8(16) . . ?
C55 C60 C59 119.8(16) . . ?
C82 C81 C80 121.6(15) . . ?
C50 C51 C52 118.6(15) . . ?
C22 C23 C24 123(2) . . ?
C142 C143 C144 120.6(11) . . ?
C107 C106 C105 119.9(12) . . ?
C38 C39 C40 120.0(13) . . ?
C67 C72 C71 117.6(17) . . ?
C94 C95 C96 120.7(13) . . ?
C46 C47 C48 120.1(13) . . ?
C41 C42 C37 119.9(12) . . ?
C117 C118 C119 119.2(11) . . ?
C45 C46 C47 119.5(13) . . ?
C39 C38 C37 120.7(14) . . ?
C53 C52 C51 119.2(14) . . ?
C12 C11 C10 120.7(12) . . ?
C81 C82 C83 120.2(14) . . ?
C3 C2 C1 120.1(16) . . ?
C73 C78 C77 120.5(15) . . ?
C1 C6 C5 120.5(15) . . ?
C52 C53 C54 120.6(19) . . ?
C4 C5 C6 120.9(16) . . ?
C31 C32 C33 120.6(16) . . ?
C49 C54 C53 120.2(15) . . ?
C10 C9 C8 120.0(13) . . ?
C115 C120 C119 120.9(12) . . ?
C118 C119 C120 119.7(12) . . ?
C70 C71 C72 122.1(18) . . ?
C19 C24 C23 119.6(16) . . ?
C7 C8 C9 119.8(13) . . ?
C88 C89 C90 119.9(15) . . ?
C11 C10 C9 118.4(12) . . ?
C5 C4 C3 121.4(13) . . ?
C93 C94 C95 120.4(13) . . ?
C71 C70 C69 119.7(17) . . ?
C35 C34 C33 120.1(13) . . ?
C25 C26 C27 121.5(15) . . ?
C26 C27 C28 120.1(16) . . ?
C20 C21 C22 120.8(17) . . ?
C28 C29 C30 121.4(17) . . ?
C25 C30 C29 120.8(17) . . ?
C21 C20 C19 122.0(18) . . ?
C2 C3 C4 118.3(17) . . ?
C32 C33 C34 119.2(15) . . ?
N10 C151 C152 175(3) . . ?
C147 O10 C145 112(2) . . ?
C146 C145 O10 103(2) . . ?
O10 C147 C148 100(2) . . ?
N11 C153 C154 163(5) . . ?
O5 N8 O6 122(2) . . ?
O5 N8 O4 117.6(19) . . ?
O4 N8 O6 120.6(19) . . ?
N9 C149 C150 172(3) . . ?
O3A N7A O1A 122(2) . . ?
O3A N7A O2A 119(2) . . ?
O2A N7A O1A 118(2) . . ?
O2 N7 O1 118.8(18) . . ?
O3 N7 O2 124.2(19) . . ?
O3 N7 O1 116.5(18) . . ?
N12 C155 C156 167(5) . . ?
O4A N8A O6A 122(2) . . ?
O4A N8A O5A 119(2) . . ?
O6A N8A O5A 118(2) . . ?
C132 C131 C130 120.5(15) . . ?
C131 C132 C127 119.1(14) . . ?
C132 C127 P11 116.7(12) . . ?
C128 C127 P11 122.6(12) . . ?
C128 C127 C132 120.7(14) . . ?
C127 C128 C129 120.0(14) . . ?
C130 C129 C128 119.5(14) . . ?
C129 C130 C131 120.0(14) . . ?
C1C C1B C1G 120(3) . . ?
C1B C1C C1D 119(3) . . ?
C1E C1D C1C 120(3) . . ?
C1D C1E C1F 121(2) . . ?
C1E C1F P11 118(2) . . ?
C1E C1F C1G 117(2) . . ?
C1G C1F P11 124(3) . . ?
C1B C1G C1F 122(2) . . ?
N11 C1H C1A 176(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetonitrile and diethyl ether'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,Photo-sensitive
####################################################################### 
# 
# 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_aim047
_database_code_depnum_ccdc_archive 'CCDC 1919383'
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Melbourne
Australia
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT410_aim047              
;
PROBLEM: Short Intra H...H Contact  H134     ..H78A     .       0.86 Ang.
RESPONSE: H78A belongs to a low occupancy disorder component.
;
_vrf_PLAT234_aim047              
;
PROBLEM: Large Hirshfeld Difference C141     --C142     .       0.26 Ang.
RESPONSE: Attempts to employ a disorder model was not successful
;
_vrf_PLAT241_aim047              
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C81 Check
RESPONSE: Attempts to employ a disorder model was not successful
;
# Added during the CSD deposition process: Wednesday 29 May 2019 04:05 AM
# end Validation Reply Form

_audit_creation_date             2019-05-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Ag3Cl2(dppa)3](BF4)'
_chemical_formula_moiety         
'0.25(C144 H126 Ag6 B2 Cl4 F8 N6 P12), 0.5(C72 H63 Ag3 Cl2 N3 P6), 0.5(B F4)'
_chemical_formula_sum            'C72 H63 Ag3 B Cl2 F4 N3 P6'
_chemical_formula_weight         1637.39
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Ag3 P6 N3 Cl2 C72 B1 F4 H63 O0.5'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.9166(2)
_cell_length_b                   26.4450(4)
_cell_length_c                   19.7632(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.5346(15)
_cell_angle_gamma                90
_cell_volume                     7071.37(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    63938
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      76.6830
_cell_measurement_theta_min      2.2990
_shelx_estimated_absorpt_T_max   0.774
_shelx_estimated_absorpt_T_min   0.466
_exptl_absorpt_coefficient_mu    9.018
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.29a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3288
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            132667
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.922
_diffrn_reflns_theta_min         2.299
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -17.00  13.00   0.50    0.52    --   48.20 -31.00  63.00   60
  2  ω     34.00  59.00   0.50    0.52    --   48.20  56.00  -8.22   50
  3  ω     38.00  90.00   0.50    0.52    --   48.20  53.00  32.92  104
  4  ω     34.00  60.00   0.50    0.52    --   48.20  54.00  18.61   52
  5  ω     91.00 116.00   0.50    2.09    --  107.75  61.00 -60.00   50
  6  ω    100.00 127.00   0.50    2.09    --  107.75  45.00 -30.00   54
  7  ω    143.00 169.00   0.50    2.09    --  107.75  45.00 -30.00   52
  8  ω    149.00 175.00   0.50    2.09    --  107.75  61.00  30.00   52
  9  ω    133.00 173.00   0.50    2.09    --  107.75  15.00 -30.00   80
 10  ω    141.00 175.00   0.50    2.09    --  107.75  61.00 -90.00   68
 11  ω    124.00 158.00   0.50    2.09    --  107.75  31.00-136.00   68
 12  ω    135.00 178.00   0.50    2.09    --  107.75  61.00-180.00   86
 13  ω    123.00 149.00   0.50    2.09    --  107.75  77.00 -90.00   52
 14  ω    108.00 134.00   0.50    2.09    --  107.75  61.00-120.00   52
 15  ω    116.00 164.00   0.50    2.09    --  107.75  77.00-120.00   96
 16  ω     96.00 176.00   0.50    2.09    --  107.75  45.00 -60.00  160
 17  ω    115.00 141.00   0.50    2.09    --  107.75  15.00   0.00   52
 18  ω     97.00 138.00   0.50    2.09    --  107.75  45.00  30.00   82
 19  ω    101.00 151.00   0.50    2.09    --  107.75  45.00   0.00  100
 20  ω     96.00 136.00   0.50    2.09    --  107.75  45.00  60.00   80
 21  ω    153.00 178.00   0.50    2.09    --  107.75  61.00 120.00   50
 22  ω     99.00 166.00   0.50    2.09    --  107.75  15.00 120.00  134
 23  ω     91.00 133.00   0.50    2.09    --  107.75  61.00  30.00   84
 24  ω     91.00 116.00   0.50    2.09    --  107.75  61.00 -30.00   50
 25  ω     91.00 116.00   0.50    2.09    --  107.75  61.00 -90.00   50
 26  ω    102.00 178.00   0.50    2.09    --  107.75  77.00-150.00  152
 27  ω     95.00 166.00   0.50    2.09    --  107.75  47.00 -18.15  142
 28  ω     97.00 178.00   0.50    2.09    --  107.75 125.00  90.00  162
 29  ω    103.00 128.00   0.50    2.09    --  107.75  15.00 -30.00   50
 30  ω     92.00 135.00   0.50    2.09    --  107.75  61.00   0.00   86
 31  ω     98.00 129.00   0.50    2.09    --  107.75  61.00 120.00   62
 32  ω     39.00  69.00   0.50    2.09    --  107.75 -61.00   0.00   60
 33  ω     64.00 105.00   0.50    2.09    --  107.75 -94.00  60.00   82
 34  ω     83.00 116.00   0.50    2.09    --  107.75-125.00  60.00   66
 35  ω     60.00 107.00   0.50    2.09    --  107.75 -94.00 120.00   94
 36  ω     63.00  94.00   0.50    2.09    --  107.75-125.00 120.00   62
 37  ω     58.00  83.00   0.50    2.09    --  107.75 -94.00 150.00   50
 38  ω     57.00  82.00   0.50    2.09    --  107.75 -94.00  90.00   50
 39  ω     44.00  76.00   0.50    2.09    --  107.75-125.00  60.00   64
 40  ω     37.00  62.00   0.50    2.09    --  107.75 -94.00  60.00   50
 41  ω     40.00 109.00   0.50    2.09    --  107.75 -94.00   0.00  138
 42  ω     73.00 109.00   0.50    2.09    --  107.75 -94.00 -90.00   72
 43  ω     70.00  96.00   0.50    2.09    --  107.75 -94.00-180.00   52
 44  ω     38.00  68.00   0.50    2.09    --  107.75 -61.00 -90.00   60
 45  ω     39.00 109.00   0.50    2.09    --  107.75 -94.00-150.00  140
 46  ω     44.00  86.00   0.50    2.09    --  107.75 -94.00-120.00   84
 47  ω     36.00  65.00   0.50    2.09    --  107.75 -94.00-180.00   58
 48  ω     43.00  68.00   0.50    2.09    --  107.75 -61.00-120.00   50
 49  ω     45.00  70.00   0.50    2.09    --  107.75 -94.00 -30.00   50
 50  ω     37.00  63.00   0.50    2.09    --  107.75 -61.00  90.00   52
 51  ω     36.00  65.00   0.50    2.09    --  107.75 -61.00 120.00   58
 52  ω     36.00  68.00   0.50    2.09    --  107.75 -61.00 150.00   64
 53  ω     55.00  80.00   0.50    0.52    --   48.20  31.00-136.00   50
 54  ω     97.00 171.00   0.50    2.09    --  107.75  15.00-150.00  148
 55  ω    -21.00  27.00   0.50    0.52    --  -48.20  19.00 -60.00   96
 56  ω    -21.00  27.00   0.50    0.52    --  -48.20  19.00   0.00   96
 57  ω    -33.00  22.00   0.50    0.52    --  -48.20  31.00-136.00  110
 58  ω    -48.00 -20.00   0.50    2.09    --  -86.25  45.00  30.00   56
 59  ω    -18.00  20.00   0.50    0.52    --  -48.20  19.00 120.00   76
 60  ω    -67.00 -42.00   0.50    0.52    --  -48.20 -37.00 -60.00   50
 61  ω    -65.00 -39.00   0.50    0.52    --  -48.20 -37.00-120.00   52
 62  ω    -97.00 -72.00   0.50    2.09    --  -86.25 -54.00  -1.43   50
 63  ω    -97.00 -72.00   0.50    2.09    --  -86.25 -54.00 -11.27   50
 64  ω    -97.00 -72.00   0.50    2.09    --  -86.25 -55.00   3.59   50
 65  ω    -97.00 -72.00   0.50    2.09    --  -86.25 -54.00 -18.15   50
 66  ω   -100.00 -74.00   0.50    2.09    --  -86.25 -52.00 -80.73   52
 67  ω    -98.00 -72.00   0.50    2.09    --  -86.25 -53.00-104.52   52
 68  ω    -98.00 -72.00   0.50    2.09    --  -86.25 -52.00 -46.70   52
 69  ω    -98.00 -73.00   0.50    2.09    --  -86.25 -49.00 -16.40   50
 70  ω    -98.00 -73.00   0.50    2.09    --  -86.25 -54.00 -55.31   50
 71  ω    -99.00 -74.00   0.50    2.09    --  -86.25 -49.00-105.52   50
 72  ω    -98.00 -82.50   0.50    2.09    --  -86.25 -54.00 -69.79   31
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0546856000
_diffrn_orient_matrix_UB_12      0.0191809000
_diffrn_orient_matrix_UB_13      0.0723970000
_diffrn_orient_matrix_UB_21      0.0996568000
_diffrn_orient_matrix_UB_22      -0.0140651000
_diffrn_orient_matrix_UB_23      -0.0162484000
_diffrn_orient_matrix_UB_31      0.0066792000
_diffrn_orient_matrix_UB_32      0.0531581000
_diffrn_orient_matrix_UB_33      -0.0304292000
_diffrn_oxdiff_digest_frames     
;
014a9ea5661e5889e86a3e098d2c403492051990389
;
_diffrn_oxdiff_digest_hkl        
;
01aa94246a97d5b59b086512538fd1818c1723
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.867
_reflns_Friedel_fraction_full    0.934
_reflns_Friedel_fraction_max     0.892
_reflns_number_gt                26575
_reflns_number_total             28371
_reflns_odcompleteness_completeness 99.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     75.12
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.29a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.29a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.29a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.612
_refine_diff_density_min         -1.641
_refine_diff_density_rms         0.124
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.051(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1744
_refine_ls_number_reflns         28371
_refine_ls_number_restraints     501
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0565
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0885P)²+15.1394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1516
_refine_ls_wR_factor_ref         0.1542
_refine_special_details          
'Refined as a 2-component inversion twin.,Twin,SQUEEZE'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.949(9)
 0.051(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
3. Restrained distances
 C17-C18 \\sim C18-C13 \\sim C13-C14 \\sim C14-C15 \\sim C15-C16 \\sim C16-C17
 with sigma of 0.02
 C17-C15 \\sim C17-C15 \\sim C14-C18 \\sim C14-C16 \\sim C16-C18 \\sim C15-C13
 with sigma of 0.04
 C14A-C13A \\sim C13A-C18A \\sim C18A-C17A \\sim C17A-C16A \\sim C16A-C15A
\\sim C15A-C14A
 with sigma of 0.02
 C14A-C16A \\sim C14A-C16A \\sim C17A-C13A \\sim C17A-C15A \\sim C15A-C13A
\\sim C16A-C18A
 with sigma of 0.04
 C76-C75 \\sim C75-C74 \\sim C74-C73 \\sim C73-C78 \\sim C78-C77 \\sim C77-C76
 with sigma of 0.02
 C76-C78 \\sim C76-C78 \\sim C73-C75 \\sim C73-C77 \\sim C77-C75 \\sim C78-C74
 with sigma of 0.04
 C73A-C78A \\sim C78A-C77A \\sim C77A-C76A \\sim C76A-C75A \\sim C75A-C74A
\\sim C74A-C73A
 with sigma of 0.02
 C73A-C75A \\sim C73A-C75A \\sim C76A-C78A \\sim C76A-C74A \\sim C74A-C78A
\\sim C75A-C77A
 with sigma of 0.04
 C82-C81 \\sim C81-C80 \\sim C80-C79 \\sim C79-C84 \\sim C84-C83 \\sim C83-C82
 with sigma of 0.02
 C82-C84 \\sim C82-C84 \\sim C79-C81 \\sim C79-C83 \\sim C83-C81 \\sim C84-C80
 with sigma of 0.04
4. Restrained planarity
 C17, C18, C13, C14, C15, C16
 with sigma of 0.1
 C14A, C13A, C18A, C17A, C16A, C15A
 with sigma of 0.1
 C76, C75, C74, C73, C78, C77
 with sigma of 0.1
 C73A, C78A, C77A, C76A, C75A, C74A
 with sigma of 0.1
 C82, C81, C80, C79, C84, C83
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
C17 \\sim C18 \\sim C13 \\sim C14 \\sim C15 \\sim C16: within 2A with sigma of
0.02 and sigma for terminal atoms of 0.04
C14A \\sim C13A \\sim C18A \\sim C17A \\sim C16A \\sim C15A: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04
C76 \\sim C75 \\sim C74 \\sim C73 \\sim C78 \\sim C77: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C73A \\sim C78A \\sim C77A \\sim C76A \\sim C75A \\sim C74A: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C82 \\sim C81 \\sim C80 \\sim C79 \\sim C84 \\sim C83: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
Uanis(C13) = Uanis(C13A)
6. Rigid body (RIGU) restrains
 C17, C18, C13, C14, C15, C16
 with sigma for 1-2 distances of 0.003 and sigma for 1-3 distances of 0.003
 C14A, C13A, C18A, C17A, C16A, C15A
 with sigma for 1-2 distances of 0.003 and sigma for 1-3 distances of 0.003
 C76, C75, C74, C73, C78, C77
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C73A, C78A, C77A, C76A, C75A, C74A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C82, C81, C80, C79, C84, C83
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Sof(C14A)=Sof(H14A)=Sof(C13A)=Sof(C18A)=Sof(H18A)=Sof(C17A)=Sof(H17A)=
 Sof(C16A)=Sof(H16A)=Sof(C15A)=Sof(H15A)=1-FVAR(1)
 Sof(C17)=Sof(H17)=Sof(C18)=Sof(H18)=Sof(C13)=Sof(C14)=Sof(H14)=Sof(C15)=
 Sof(H15)=Sof(C16)=Sof(H16)=FVAR(1)
 Sof(C73A)=Sof(C78A)=Sof(H78A)=Sof(C77A)=Sof(H77A)=Sof(C76A)=Sof(H76A)=
 Sof(C75A)=Sof(H75A)=Sof(C74A)=Sof(H74A)=1-FVAR(2)
 Sof(C76)=Sof(H76)=Sof(C75)=Sof(H75)=Sof(C74)=Sof(H74)=Sof(C73)=Sof(C78)=
 Sof(H78)=Sof(C77)=Sof(H77)=FVAR(2)
8.a Aromatic/amide H refined with riding coordinates:
 N5(H5), C126(H126), N1(H1), C10(H10), C24(H24), C98(H98), C110(H110),
 C136(H136), C69(H69), C129(H129), C111(H111), C8(H8), N4(H4), C12(H12),
 C128(H128), C125(H125), C122(H122), C23(H23), C9(H9), C40(H40), C116(H116),
 C63(H63), N2(H2), C112(H112), C50(H50), C54(H54), C42(H42), C114(H114),
 C36(H36), C46(H46), C62(H62), N6(H6), C44(H44), C92(H92), C68(H68), C48(H48),
 C20(H20), C22(H22), C123(H123), C56(H56), C66(H66), C86(H86), C117(H117),
 C104(H104), C64(H64), C93(H93), C131(H131), C30(H30), C130(H130), N3(H3),
 C6(H6A), C113(H113), C100(H100), C65(H65), C41(H41), C11(H11), C135(H135),
 C51(H51), C143(H143), C28(H28), C144(H144), C57(H57), C137(H137), C138(H138),
 C99(H99), C132(H132), C29(H29), C134(H134), C45(H45), C105(H105), C35(H35),
 C119(H119), C39(H39), C118(H118), C87(H87), C70(H70), C2(H2A), C3(H3A),
 C142(H142), C26(H26), C27(H27), C94(H94), C89(H89), C53(H53), C88(H88),
 C141(H141), C106(H106), C52(H52), C96(H96), C60(H60), C108(H108), C124(H124),
 C47(H47), C107(H107), C140(H140), C120(H120), C21(H21), C95(H95), C5(H5A),
 C34(H34), C101(H101), C38(H38), C102(H102), C90(H90), C4(H4A), C71(H71),
 C59(H59), C72(H72), C58(H58), C33(H33), C32(H32), C17(H17), C18(H18), C14(H14),
  C15(H15), C16(H16), C14A(H14A), C18A(H18A), C17A(H17A), C16A(H16A),
 C15A(H15A), C82(H82), C81(H81), C80(H80), C84(H84), C83(H83), C76(H76),
 C75(H75), C74(H74), C78(H78), C77(H77), C78A(H78A), C77A(H77A), C76A(H76A),
 C75A(H75A), C74A(H74A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag6 Ag 0.62205(5) 0.29880(3) 0.39964(4) 0.03497(15) Uani 1 1 d . . . . .
Ag1 Ag 0.48905(5) 0.16585(3) -0.16781(4) 0.04070(17) Uani 1 1 d . . . . .
Ag4 Ag 0.78515(5) 0.22578(3) 0.35588(4) 0.03616(16) Uani 1 1 d . . . . .
Ag3 Ag 0.71238(5) 0.20917(3) -0.15448(4) 0.03554(16) Uani 1 1 d . . . . .
Ag2 Ag 0.55095(6) 0.27827(3) -0.11020(4) 0.04080(18) Uani 1 1 d . . . . .
Ag5 Ag 0.84196(5) 0.33841(3) 0.40615(4) 0.03677(16) Uani 1 1 d . . . . .
Cl2 Cl 0.53958(19) 0.24346(10) -0.23822(12) 0.0389(5) Uani 1 1 d . . . . .
Cl1 Cl 0.62547(18) 0.18885(10) -0.05214(12) 0.0398(5) Uani 1 1 d . . . . .
P10 P 0.58692(18) 0.38187(10) 0.44095(14) 0.0342(5) Uani 1 1 d . . . . .
P7 P 0.94513(18) 0.22055(10) 0.32617(13) 0.0348(5) Uani 1 1 d . . . . .
P9 P 0.79324(18) 0.41823(9) 0.44850(14) 0.0351(5) Uani 1 1 d . . . . .
P5 P 0.74670(17) 0.12536(10) -0.19515(13) 0.0321(5) Uani 1 1 d . . . . .
P8 P 1.00200(18) 0.32539(10) 0.37972(15) 0.0380(5) Uani 1 1 d . . . . .
Cl3 Cl 0.70268(18) 0.31542(11) 0.29331(12) 0.0417(5) Uani 1 1 d . . . . .
P4 P 0.82560(18) 0.28009(10) -0.13584(12) 0.0332(5) Uani 1 1 d . . . . .
Cl4 Cl 0.79572(17) 0.26267(9) 0.48149(11) 0.0328(4) Uani 1 1 d . . . . .
P2 P 0.38716(19) 0.28481(11) -0.08614(13) 0.0373(5) Uani 1 1 d . . . . .
P1 P 0.33057(19) 0.17992(11) -0.13946(15) 0.0387(6) Uani 1 1 d . . . . .
P6 P 0.5404(2) 0.08654(10) -0.21049(15) 0.0380(5) Uani 1 1 d . . . . .
P11 P 0.50902(16) 0.22743(10) 0.37957(12) 0.0318(5) Uani 1 1 d . . . . .
P12 P 0.65567(18) 0.16184(12) 0.33203(13) 0.0396(6) Uani 1 1 d . . . . .
P3 P 0.67740(19) 0.34382(10) -0.08660(13) 0.0360(5) Uani 1 1 d . . . . .
F1 F 0.3949(11) 0.1096(3) 0.3921(5) 0.098(4) Uani 1 1 d . . . . .
C109 C 0.5565(7) 0.3830(4) 0.5254(6) 0.038(2) Uani 1 1 d . . . . .
F3 F 0.3520(8) 0.0275(3) 0.3871(6) 0.079(3) Uani 1 1 d . . . . .
N5 N 0.6705(7) 0.4284(4) 0.4418(5) 0.0407(19) Uani 1 1 d . . . . .
H5 H 0.649714 0.459097 0.438717 0.049 Uiso 1 1 calc R . . . .
C126 C 0.3423(8) 0.2006(5) 0.2741(7) 0.048(3) Uani 1 1 d . . . . .
H126 H 0.369418 0.168331 0.275978 0.058 Uiso 1 1 calc R . . . .
C61 C 0.4844(8) 0.0738(4) -0.3013(6) 0.040(2) Uani 1 1 d . . . . .
N1 N 0.3129(7) 0.2329(4) -0.0961(6) 0.047(2) Uani 1 1 d . . . . .
H1 H 0.262726 0.233680 -0.077671 0.057 Uiso 1 1 calc R . . . .
C121 C 0.3927(7) 0.2381(4) 0.3159(5) 0.0335(19) Uani 1 1 d . . . . .
C10 C 0.0712(8) 0.1857(5) -0.3345(6) 0.045(2) Uani 1 1 d . . . . .
H10 H 0.019426 0.188577 -0.373709 0.054 Uiso 1 1 calc R . . . .
C115 C 0.4777(7) 0.4087(4) 0.3819(6) 0.039(2) Uani 1 1 d . . . . .
C24 C 0.4398(16) 0.2639(6) 0.0522(7) 0.075(5) Uani 1 1 d . . . . .
H24 H 0.461067 0.233465 0.037281 0.090 Uiso 1 1 calc R . . . .
C98 C 0.7892(8) 0.4667(4) 0.3243(7) 0.043(2) Uani 1 1 d . . . . .
H98 H 0.751605 0.438989 0.305006 0.051 Uiso 1 1 calc R . . . .
C110 C 0.5401(10) 0.4258(5) 0.5600(7) 0.051(3) Uani 1 1 d . . . . .
H110 H 0.545655 0.457166 0.539910 0.061 Uiso 1 1 calc R . . . .
C136 C 0.5563(12) 0.1385(8) 0.0984(11) 0.080(5) Uani 1 1 d . . . . .
H136 H 0.538751 0.131770 0.050920 0.095 Uiso 1 1 calc R . . . .
C69 C 0.4252(9) -0.0466(5) -0.1596(7) 0.049(3) Uani 1 1 d . . . . .
H69 H 0.380789 -0.070965 -0.182020 0.059 Uiso 1 1 calc R . . . .
C129 C 0.3541(9) 0.2187(5) 0.5319(6) 0.049(3) Uani 1 1 d . . . . .
H129 H 0.290855 0.226043 0.537065 0.059 Uiso 1 1 calc R . . . .
C111 C 0.5161(12) 0.4242(5) 0.6225(8) 0.060(3) Uani 1 1 d . . . . .
H111 H 0.502784 0.453851 0.643847 0.072 Uiso 1 1 calc R . . . .
C8 C 0.1300(8) 0.1710(4) -0.2109(6) 0.041(2) Uani 1 1 d . . . . .
H8 H 0.116703 0.163405 -0.168044 0.049 Uiso 1 1 calc R . . . .
N4 N 1.0230(7) 0.2708(4) 0.3410(5) 0.0415(19) Uani 1 1 d . . . . .
H4 H 1.077414 0.268349 0.327717 0.050 Uiso 1 1 calc R . . . .
C7 C 0.2265(8) 0.1796(4) -0.2157(6) 0.039(2) Uani 1 1 d . . . . .
C12 C 0.2447(8) 0.1903(5) -0.2794(6) 0.046(2) Uani 1 1 d . . . . .
H12 H 0.309325 0.195769 -0.283070 0.055 Uiso 1 1 calc R . . . .
C128 C 0.3757(8) 0.2251(5) 0.4681(6) 0.042(2) Uani 1 1 d . . . . .
H128 H 0.327383 0.236578 0.430449 0.051 Uiso 1 1 calc R . . . .
F2 F 0.4551(12) 0.0581(7) 0.3256(7) 0.149(8) Uani 1 1 d . . . . .
C133 C 0.6106(9) 0.1528(6) 0.2361(7) 0.060(4) Uani 1 1 d . . . . .
C25 C 0.7179(9) 0.3585(5) 0.0051(6) 0.047(3) Uani 1 1 d . . . . .
C125 C 0.2502(9) 0.2102(5) 0.2284(7) 0.056(3) Uani 1 1 d . . . . .
H125 H 0.216059 0.184154 0.201475 0.067 Uiso 1 1 calc R . . . .
C49 C 0.7799(8) 0.1262(4) -0.2794(5) 0.037(2) Uani 1 1 d . . . . .
C122 C 0.3505(7) 0.2864(4) 0.3114(6) 0.038(2) Uani 1 1 d . . . . .
H122 H 0.383655 0.312232 0.339278 0.045 Uiso 1 1 calc R . . . .
C1 C 0.3022(9) 0.1290(6) -0.0853(6) 0.050(3) Uani 1 1 d . . . . .
C23 C 0.4527(19) 0.2742(8) 0.1232(8) 0.091(6) Uani 1 1 d . . . . .
H23 H 0.484498 0.250308 0.155343 0.109 Uiso 1 1 calc R . . . .
C9 C 0.0528(8) 0.1737(5) -0.2703(6) 0.044(2) Uani 1 1 d . . . . .
H9 H -0.011597 0.167402 -0.266900 0.053 Uiso 1 1 calc R . . . .
C40 C 1.1252(9) 0.2499(6) 0.0168(6) 0.051(3) Uani 1 1 d . . . . .
H40 H 1.185949 0.243608 0.047184 0.061 Uiso 1 1 calc R . . . .
C55 C 0.8532(9) 0.0996(5) -0.1342(7) 0.051(3) Uani 1 1 d . . . . .
C116 C 0.4781(7) 0.4106(4) 0.3122(6) 0.040(2) Uani 1 1 d . . . . .
H116 H 0.534058 0.400506 0.297678 0.048 Uiso 1 1 calc R . . . .
C63 C 0.4933(9) 0.0503(5) -0.4181(7) 0.050(3) Uani 1 1 d . . . . .
H63 H 0.529351 0.037994 -0.448690 0.060 Uiso 1 1 calc R . . . .
C91 C 1.1039(8) 0.3309(4) 0.4577(6) 0.040(2) Uani 1 1 d . . . . .
N2 N 0.7828(7) 0.3356(4) -0.1143(4) 0.0415(19) Uani 1 1 d . . . . .
H2 H 0.817138 0.362109 -0.117604 0.050 Uiso 1 1 calc R . . . .
C112 C 0.5113(11) 0.3762(5) 0.6556(6) 0.055(3) Uani 1 1 d . . . . .
H112 H 0.497553 0.374553 0.699390 0.066 Uiso 1 1 calc R . . . .
C127 C 0.4706(8) 0.2142(4) 0.4600(5) 0.037(2) Uani 1 1 d . . . . .
C19 C 0.3952(8) 0.2996(4) 0.0050(5) 0.037(2) Uani 1 1 d . . . . .
C97 C 0.8242(7) 0.4690(4) 0.3962(7) 0.042(2) Uani 1 1 d . . . . .
C50 C 0.7782(8) 0.1721(5) -0.3131(5) 0.040(2) Uani 1 1 d . . . . .
H50 H 0.763103 0.201512 -0.291826 0.048 Uiso 1 1 calc R . . . .
C54 C 0.8029(7) 0.0825(4) -0.3116(6) 0.040(2) Uani 1 1 d . . . . .
H54 H 0.805556 0.051353 -0.289258 0.048 Uiso 1 1 calc R . . . .
C42 C 0.9860(9) 0.2222(5) -0.0706(5) 0.045(2) Uani 1 1 d . . . . .
H42 H 0.952290 0.196605 -0.098738 0.054 Uiso 1 1 calc R . . . .
C114 C 0.5510(7) 0.3364(4) 0.5572(6) 0.040(2) Uani 1 1 d . . . . .
H114 H 0.563553 0.306970 0.535086 0.048 Uiso 1 1 calc R . . . .
C67 C 0.5080(9) 0.0317(5) -0.1639(6) 0.044(2) Uani 1 1 d . . . . .
C36 C 0.6647(11) 0.4250(6) -0.1801(7) 0.057(3) Uani 1 1 d . . . . .
H36 H 0.714179 0.408917 -0.196449 0.068 Uiso 1 1 calc R . . . .
C46 C 0.9071(11) 0.3146(5) -0.3437(6) 0.051(3) Uani 1 1 d . . . . .
H46 H 0.921990 0.320763 -0.386387 0.061 Uiso 1 1 calc R . . . .
C62 C 0.5396(10) 0.0561(4) -0.3477(7) 0.047(3) Uani 1 1 d . . . . .
H62 H 0.606268 0.048315 -0.331724 0.056 Uiso 1 1 calc R . . . .
N6 N 0.5519(7) 0.1708(4) 0.3603(4) 0.0373(18) Uani 1 1 d . . . . .
H6 H 0.517994 0.144440 0.365290 0.045 Uiso 1 1 calc R . . . .
C44 C 0.7874(9) 0.3061(5) -0.2740(6) 0.044(2) Uani 1 1 d . . . . .
H44 H 0.722159 0.306923 -0.270039 0.053 Uiso 1 1 calc R . . . .
C92 C 1.0841(8) 0.3150(5) 0.5198(6) 0.046(2) Uani 1 1 d . . . . .
H92 H 1.021522 0.302999 0.520443 0.055 Uiso 1 1 calc R . . . .
C68 C 0.4469(8) -0.0066(4) -0.1973(6) 0.042(2) Uani 1 1 d . . . . .
H68 H 0.420868 -0.005105 -0.245065 0.050 Uiso 1 1 calc R . . . .
C48 C 0.9602(8) 0.2947(4) -0.2224(6) 0.042(2) Uani 1 1 d . . . . .
H48 H 1.011423 0.288101 -0.183926 0.051 Uiso 1 1 calc R . . . .
C20 C 0.3575(10) 0.3429(6) 0.0282(7) 0.058(3) Uani 1 1 d . . . . .
H20 H 0.322374 0.366014 -0.003647 0.070 Uiso 1 1 calc R . . . .
C22 C 0.4217(15) 0.3162(8) 0.1461(8) 0.081(5) Uani 1 1 d . . . . .
H22 H 0.432765 0.322178 0.193669 0.097 Uiso 1 1 calc R . . . .
C123 C 0.2618(9) 0.2963(4) 0.2669(6) 0.043(2) Uani 1 1 d . . . . .
H123 H 0.234814 0.328558 0.265131 0.052 Uiso 1 1 calc R . . . .
C56 C 0.9456(8) 0.0896(5) -0.1497(6) 0.043(2) Uani 1 1 d . . . . .
H56 H 0.954322 0.095180 -0.194381 0.051 Uiso 1 1 calc R . . . .
C66 C 0.3861(8) 0.0856(4) -0.3271(6) 0.042(2) Uani 1 1 d . . . . .
H66 H 0.349956 0.098149 -0.296750 0.051 Uiso 1 1 calc R . . . .
C31 C 0.6335(10) 0.4043(5) -0.1256(6) 0.049(3) Uani 1 1 d . . . . .
C86 C 1.0325(8) 0.3614(6) 0.2528(7) 0.053(3) Uani 1 1 d . . . . .
H86 H 1.026492 0.327792 0.238566 0.064 Uiso 1 1 calc R . . . .
C117 C 0.3954(8) 0.4275(4) 0.2634(6) 0.043(2) Uani 1 1 d . . . . .
H117 H 0.396677 0.428753 0.216644 0.052 Uiso 1 1 calc R . . . .
C43 C 0.8625(8) 0.2951(4) -0.2158(5) 0.036(2) Uani 1 1 d . . . . .
C104 C 0.9593(8) 0.4250(5) 0.5582(7) 0.047(3) Uani 1 1 d . . . . .
H104 H 0.994545 0.414943 0.525910 0.057 Uiso 1 1 calc R . . . .
C103 C 0.8552(8) 0.4333(4) 0.5369(7) 0.044(2) Uani 1 1 d . . . . .
C64 C 0.3971(11) 0.0622(4) -0.4424(6) 0.051(3) Uani 1 1 d . . . . .
H64 H 0.368537 0.059097 -0.489697 0.061 Uiso 1 1 calc R . . . .
C93 C 1.1553(9) 0.3169(5) 0.5799(7) 0.054(3) Uani 1 1 d . . . . .
H93 H 1.141147 0.306406 0.621392 0.065 Uiso 1 1 calc R . . . .
C131 C 0.5195(9) 0.1916(5) 0.5800(6) 0.046(2) Uani 1 1 d . . . . .
H131 H 0.568059 0.180647 0.617960 0.055 Uiso 1 1 calc R . . . .
C30 C 0.7819(10) 0.3987(6) 0.0290(7) 0.056(3) Uani 1 1 d . . . . .
H30 H 0.803154 0.419511 -0.002600 0.067 Uiso 1 1 calc R . . . .
C130 C 0.4245(10) 0.2016(5) 0.5883(6) 0.049(3) Uani 1 1 d . . . . .
H130 H 0.408971 0.196805 0.631126 0.059 Uiso 1 1 calc R . . . .
N3 N 0.6644(6) 0.0780(3) -0.1986(5) 0.0375(18) Uani 1 1 d . . . . .
H3 H 0.686669 0.047520 -0.194065 0.045 Uiso 1 1 calc R . . . .
C6 C 0.2956(8) 0.0804(5) -0.1107(7) 0.048(3) Uani 1 1 d . . . . .
H6A H 0.300638 0.074700 -0.156194 0.058 Uiso 1 1 calc R . . . .
C113 C 0.5271(9) 0.3333(5) 0.6219(6) 0.050(3) Uani 1 1 d . . . . .
H113 H 0.521959 0.301910 0.641842 0.060 Uiso 1 1 calc R . . . .
F4 F 0.3007(18) 0.0756(5) 0.2942(8) 0.157(8) Uani 1 1 d . . . . .
C100 C 0.8654(9) 0.5438(5) 0.3073(9) 0.060(4) Uani 1 1 d . . . . .
H100 H 0.879835 0.568358 0.277490 0.072 Uiso 1 1 calc R . . . .
C85 C 1.0296(7) 0.3735(4) 0.3199(7) 0.044(2) Uani 1 1 d . . . . .
C65 C 0.3392(9) 0.0792(5) -0.3969(7) 0.050(3) Uani 1 1 d . . . . .
H65 H 0.272108 0.085953 -0.413040 0.060 Uiso 1 1 calc R . . . .
C139 C 0.6929(9) 0.1002(5) 0.3650(8) 0.053(3) Uani 1 1 d . . . . .
C41 C 1.0775(9) 0.2127(5) -0.0263(6) 0.050(3) Uani 1 1 d . . . . .
H41 H 1.106421 0.180939 -0.025966 0.060 Uiso 1 1 calc R . . . .
C11 C 0.1669(9) 0.1932(5) -0.3392(6) 0.050(3) Uani 1 1 d . . . . .
H11 H 0.180455 0.200219 -0.382185 0.060 Uiso 1 1 calc R . . . .
C135 C 0.6354(13) 0.1707(9) 0.1214(8) 0.081(5) Uani 1 1 d . . . . .
H135 H 0.666772 0.187285 0.091047 0.097 Uiso 1 1 calc R . . . .
C51 C 0.7986(9) 0.1747(5) -0.3778(6) 0.047(3) Uani 1 1 d . . . . .
H51 H 0.797876 0.205672 -0.400272 0.056 Uiso 1 1 calc R . . . .
C37 C 0.9460(8) 0.2693(5) -0.0725(5) 0.038(2) Uani 1 1 d . . . . .
C143 C 0.7042(13) 0.0325(8) 0.4472(9) 0.080(5) Uani 1 1 d . . . . .
H143 H 0.683680 0.019192 0.485099 0.096 Uiso 1 1 calc R . . . .
F6 F 0.9173(9) 0.4125(4) -0.1370(9) 0.108(4) Uani 1 1 d . . . . .
C28 C 0.7799(13) 0.3769(7) 0.1472(6) 0.070(5) Uani 1 1 d . . . . .
H28 H 0.803395 0.381961 0.194785 0.084 Uiso 1 1 calc R . . . .
C144 C 0.6746(11) 0.0829(6) 0.4226(8) 0.062(3) Uani 1 1 d . . . . .
H144 H 0.641904 0.103420 0.448274 0.074 Uiso 1 1 calc R . . . .
C57 C 1.0215(9) 0.0717(5) -0.0991(7) 0.052(3) Uani 1 1 d . . . . .
H57 H 1.081796 0.064270 -0.109425 0.062 Uiso 1 1 calc R . . . .
C137 C 0.5027(13) 0.1161(6) 0.1373(7) 0.068(4) Uani 1 1 d . . . . .
H137 H 0.448561 0.095955 0.117794 0.082 Uiso 1 1 calc R . . . .
C138 C 0.5317(12) 0.1244(6) 0.2082(7) 0.060(3) Uani 1 1 d . . . . .
H138 H 0.495454 0.109969 0.237175 0.072 Uiso 1 1 calc R . . . .
C99 C 0.8084(9) 0.5041(5) 0.2809(8) 0.052(3) Uani 1 1 d . . . . .
H99 H 0.781958 0.501954 0.233222 0.063 Uiso 1 1 calc R . . . .
F5 F 0.8775(10) 0.4878(6) -0.0955(8) 0.121(5) Uani 1 1 d . . . . .
C132 C 0.5423(8) 0.1977(4) 0.5166(5) 0.040(2) Uani 1 1 d . . . . .
H132 H 0.605780 0.190773 0.511695 0.048 Uiso 1 1 calc R . . . .
C29 C 0.8137(10) 0.4077(7) 0.0998(8) 0.069(4) Uani 1 1 d . . . . .
H29 H 0.857404 0.433978 0.115834 0.082 Uiso 1 1 calc R . . . .
C134 C 0.6640(11) 0.1763(8) 0.1914(7) 0.071(4) Uani 1 1 d . . . . .
H134 H 0.719319 0.195812 0.210524 0.085 Uiso 1 1 calc R . . . .
C45 C 0.8087(10) 0.3158(5) -0.3376(6) 0.051(3) Uani 1 1 d . . . . .
H45 H 0.758035 0.323091 -0.376167 0.061 Uiso 1 1 calc R . . . .
C105 C 1.0074(10) 0.4320(5) 0.6273(8) 0.058(3) Uani 1 1 d . . . . .
H105 H 1.074794 0.425562 0.641235 0.069 Uiso 1 1 calc R . . . .
C35 C 0.6244(13) 0.4693(6) -0.2115(9) 0.071(4) Uani 1 1 d . . . . .
H35 H 0.645230 0.482681 -0.249181 0.085 Uiso 1 1 calc R . . . .
C119 C 0.3108(9) 0.4406(6) 0.3536(8) 0.060(4) Uani 1 1 d . . . . .
H119 H 0.254289 0.450523 0.367568 0.072 Uiso 1 1 calc R . . . .
C39 C 1.0810(10) 0.2977(6) 0.0143(6) 0.055(3) Uani 1 1 d . . . . .
H39 H 1.112767 0.323168 0.043476 0.066 Uiso 1 1 calc R . . . .
C118 C 0.3124(7) 0.4423(5) 0.2835(7) 0.048(3) Uani 1 1 d . . . . .
H118 H 0.257234 0.453412 0.250626 0.057 Uiso 1 1 calc R . . . .
C87 C 1.0443(9) 0.3988(6) 0.2061(8) 0.060(3) Uani 1 1 d . . . . .
H87 H 1.046054 0.390441 0.160730 0.071 Uiso 1 1 calc R . . . .
C70 C 0.4666(11) -0.0518(7) -0.0902(8) 0.072(4) Uani 1 1 d . . . . .
H70 H 0.455005 -0.080481 -0.065977 0.086 Uiso 1 1 calc R . . . .
C2 C 0.2937(10) 0.1365(6) -0.0165(6) 0.057(3) Uani 1 1 d . . . . .
H2A H 0.299011 0.168623 0.003297 0.069 Uiso 1 1 calc R . . . .
C3 C 0.2766(12) 0.0933(8) 0.0215(8) 0.071(4) Uani 1 1 d . . . . .
H3A H 0.267660 0.097941 0.066237 0.085 Uiso 1 1 calc R . . . .
C142 C 0.760(2) 0.0059(7) 0.4162(18) 0.124(11) Uani 1 1 d . . . . .
H142 H 0.790160 -0.023377 0.436617 0.149 Uiso 1 1 calc R . . . .
C26 C 0.6791(13) 0.3294(6) 0.0521(6) 0.059(3) Uani 1 1 d . . . . .
H26 H 0.632613 0.304287 0.036059 0.071 Uiso 1 1 calc R . . . .
C27 C 0.7118(18) 0.3392(7) 0.1234(7) 0.087(6) Uani 1 1 d . . . . .
H27 H 0.687429 0.320058 0.155164 0.104 Uiso 1 1 calc R . . . .
C94 C 1.2494(10) 0.3345(5) 0.5795(7) 0.055(3) Uani 1 1 d . . . . .
H94 H 1.298399 0.335936 0.620541 0.065 Uiso 1 1 calc R . . . .
C89 C 1.0475(8) 0.4618(6) 0.2955(9) 0.064(4) Uani 1 1 d . . . . .
H89 H 1.049773 0.495478 0.309497 0.077 Uiso 1 1 calc R . . . .
C53 C 0.8216(9) 0.0857(5) -0.3771(6) 0.049(3) Uani 1 1 d . . . . .
H53 H 0.835316 0.056367 -0.398935 0.059 Uiso 1 1 calc R . . . .
C88 C 1.0536(9) 0.4493(6) 0.2283(9) 0.064(4) Uani 1 1 d . . . . .
H88 H 1.063913 0.474475 0.197925 0.077 Uiso 1 1 calc R . . . .
C141 C 0.773(2) 0.0233(9) 0.3475(10) 0.104(8) Uani 1 1 d . . . . .
H141 H 0.804823 0.002695 0.321406 0.125 Uiso 1 1 calc R . . . .
C106 C 0.9571(11) 0.4485(6) 0.6765(8) 0.065(4) Uani 1 1 d . . . . .
H106 H 0.990618 0.453450 0.722547 0.078 Uiso 1 1 calc R . . . .
C52 C 0.8206(9) 0.1299(6) -0.4097(6) 0.054(3) Uani 1 1 d . . . . .
H52 H 0.834446 0.131112 -0.453451 0.064 Uiso 1 1 calc R . . . .
C96 C 1.1981(9) 0.3471(5) 0.4576(7) 0.053(3) Uani 1 1 d . . . . .
H96 H 1.213180 0.356305 0.415902 0.064 Uiso 1 1 calc R . . . .
C60 C 0.8433(12) 0.0957(6) -0.0639(8) 0.066(4) Uani 1 1 d . . . . .
H60 H 0.784531 0.104808 -0.052486 0.079 Uiso 1 1 calc R . . . .
C108 C 0.8065(9) 0.4500(6) 0.5859(7) 0.057(3) Uani 1 1 d . . . . .
H108 H 0.739015 0.456412 0.572468 0.069 Uiso 1 1 calc R . . . .
C124 C 0.2106(9) 0.2580(5) 0.2236(6) 0.050(3) Uani 1 1 d . . . . .
H124 H 0.151062 0.264903 0.192174 0.060 Uiso 1 1 calc R . . . .
C47 C 0.9804(9) 0.3043(5) -0.2866(6) 0.046(2) Uani 1 1 d . . . . .
H47 H 1.045614 0.303676 -0.290775 0.055 Uiso 1 1 calc R . . . .
C107 C 0.8559(11) 0.4574(7) 0.6554(9) 0.069(4) Uani 1 1 d . . . . .
H107 H 0.821097 0.468389 0.687495 0.083 Uiso 1 1 calc R . . . .
C140 C 0.7374(14) 0.0710(8) 0.3224(9) 0.078(5) Uani 1 1 d . . . . .
H140 H 0.743241 0.082597 0.279073 0.094 Uiso 1 1 calc R . . . .
C120 C 0.3936(8) 0.4242(5) 0.4030(7) 0.049(3) Uani 1 1 d . . . . .
H120 H 0.392641 0.423550 0.449909 0.059 Uiso 1 1 calc R . . . .
C21 C 0.3721(14) 0.3518(8) 0.0990(9) 0.084(6) Uani 1 1 d . . . . .
H21 H 0.348858 0.381429 0.114807 0.101 Uiso 1 1 calc R . . . .
C95 C 1.2689(10) 0.3496(6) 0.5177(8) 0.060(3) Uani 1 1 d . . . . .
H95 H 1.331364 0.361804 0.517046 0.072 Uiso 1 1 calc R . . . .
C5 C 0.2817(10) 0.0404(6) -0.0705(9) 0.061(3) Uani 1 1 d . . . . .
H5A H 0.278202 0.007970 -0.089184 0.073 Uiso 1 1 calc R . . . .
C34 C 0.5532(19) 0.4931(7) -0.1857(9) 0.097(7) Uani 1 1 d . . . . .
H34 H 0.524277 0.522517 -0.206896 0.116 Uiso 1 1 calc R . . . .
C101 C 0.9028(9) 0.5485(5) 0.3785(9) 0.057(3) Uani 1 1 d . . . . .
H101 H 0.939933 0.576733 0.396461 0.068 Uiso 1 1 calc R . . . .
C38 C 0.9938(9) 0.3073(5) -0.0294(6) 0.045(2) Uani 1 1 d . . . . .
H38 H 0.965668 0.339236 -0.030783 0.055 Uiso 1 1 calc R . . . .
C102 C 0.8843(8) 0.5100(4) 0.4235(7) 0.047(3) Uani 1 1 d . . . . .
H102 H 0.911889 0.512037 0.471032 0.057 Uiso 1 1 calc R . . . .
C90 C 1.0381(8) 0.4235(5) 0.3414(8) 0.051(3) Uani 1 1 d . . . . .
H90 H 1.037456 0.431502 0.387145 0.061 Uiso 1 1 calc R . . . .
F8 F 0.9892(17) 0.4390(6) -0.0317(15) 0.192(11) Uani 1 1 d . . . . .
C4 C 0.2728(12) 0.0465(6) -0.0037(9) 0.069(4) Uani 1 1 d . . . . .
H4A H 0.264407 0.018879 0.023453 0.082 Uiso 1 1 calc R . . . .
C71 C 0.5262(18) -0.0131(9) -0.0572(9) 0.103(8) Uani 1 1 d . . . . .
H71 H 0.553370 -0.015214 -0.009597 0.123 Uiso 1 1 calc R . . . .
F7 F 1.0270(14) 0.4780(8) -0.1197(15) 0.214(14) Uani 1 1 d . . . . .
C59 C 0.9225(13) 0.0782(8) -0.0130(8) 0.074(4) Uani 1 1 d . . . . .
H59 H 0.917792 0.075456 0.033060 0.088 Uiso 1 1 calc R . . . .
C72 C 0.5463(14) 0.0287(8) -0.0937(8) 0.086(6) Uani 1 1 d . . . . .
H72 H 0.585778 0.054678 -0.070554 0.103 Uiso 1 1 calc R . . . .
C58 C 1.0095(13) 0.0647(8) -0.0323(10) 0.085(6) Uani 1 1 d . . . . .
H58 H 1.060968 0.050472 0.000960 0.102 Uiso 1 1 calc R . . . .
C33 C 0.5250(19) 0.4750(8) -0.1316(10) 0.102(8) Uani 1 1 d . . . . .
H33 H 0.478094 0.492243 -0.113812 0.122 Uiso 1 1 calc R . . . .
C32 C 0.5655(14) 0.4296(6) -0.1005(8) 0.075(5) Uani 1 1 d . . . . .
H32 H 0.545118 0.416870 -0.062308 0.090 Uiso 1 1 calc R . . . .
B1 B 0.3791(16) 0.0651(6) 0.3527(8) 0.064(5) Uani 1 1 d . . . . .
B2 B 0.9477(15) 0.4496(13) -0.0972(14) 0.112(12) Uani 1 1 d . . . . .
C17 C 0.3002(19) 0.4104(15) -0.208(2) 0.078(8) Uani 0.71(6) 1 d D U P A 1
H17 H 0.327064 0.431193 -0.237160 0.093 Uiso 0.71(6) 1 calc R . P A 1
C18 C 0.3541(19) 0.3697(12) -0.1741(15) 0.059(6) Uani 0.71(6) 1 d D U P A 1
H18 H 0.418198 0.364195 -0.178777 0.070 Uiso 0.71(6) 1 calc R . P A 1
C13 C 0.3139(19) 0.3373(11) -0.1334(13) 0.040(4) Uani 0.71(6) 1 d D U P A 1
C14 C 0.216(2) 0.3445(15) -0.128(2) 0.053(5) Uani 0.71(6) 1 d D U P A 1
H14 H 0.186766 0.321987 -0.102752 0.063 Uiso 0.71(6) 1 calc R . P A 1
C15 C 0.164(2) 0.3859(13) -0.1608(19) 0.065(7) Uani 0.71(6) 1 d D U P A 1
H15 H 0.098853 0.391152 -0.157202 0.078 Uiso 0.71(6) 1 calc R . P A 1
C16 C 0.2064(19) 0.4196(13) -0.1991(19) 0.072(7) Uani 0.71(6) 1 d D U P A 1
H16 H 0.171939 0.448242 -0.218429 0.086 Uiso 0.71(6) 1 calc R . P A 1
C14A C 0.210(5) 0.343(3) -0.127(4) 0.038(8) Uani 0.29(6) 1 d D U P A 2
H14A H 0.186309 0.328835 -0.091481 0.046 Uiso 0.29(6) 1 calc R . P A 2
C13A C 0.300(4) 0.329(2) -0.138(3) 0.040(4) Uani 0.29(6) 1 d D U P A 2
C18A C 0.335(3) 0.350(2) -0.190(2) 0.038(7) Uani 0.29(6) 1 d D U P A 2
H18A H 0.395120 0.339566 -0.198531 0.046 Uiso 0.29(6) 1 calc R . P A 2
C17A C 0.283(3) 0.387(2) -0.229(2) 0.044(9) Uani 0.29(6) 1 d D U P A 2
H17A H 0.308674 0.403044 -0.263481 0.053 Uiso 0.29(6) 1 calc R . P A 2
C16A C 0.194(3) 0.402(2) -0.219(2) 0.047(9) Uani 0.29(6) 1 d D U P A 2
H16A H 0.158674 0.427747 -0.245891 0.056 Uiso 0.29(6) 1 calc R . P A 2
C15A C 0.156(4) 0.378(2) -0.170(3) 0.037(8) Uani 0.29(6) 1 d D U P A 2
H15A H 0.092504 0.386546 -0.165475 0.044 Uiso 0.29(6) 1 calc R . P A 2
C82 C 1.1348(11) 0.0861(6) 0.4277(12) 0.100(7) Uani 1 1 d D U . . .
H82 H 1.171015 0.057150 0.443969 0.120 Uiso 1 1 calc R . . . .
C81 C 1.0343(12) 0.0850(8) 0.4093(14) 0.175(13) Uani 1 1 d D U . . .
H81 H 1.002203 0.054962 0.414804 0.210 Uiso 1 1 calc R . . . .
C80 C 0.9776(13) 0.1269(7) 0.3826(15) 0.136(10) Uani 1 1 d D U . . .
H80 H 0.908921 0.125582 0.372929 0.163 Uiso 1 1 calc R . . . .
C79 C 1.0250(8) 0.1697(5) 0.3711(7) 0.052(3) Uani 1 1 d D U . . .
C84 C 1.1246(9) 0.1713(6) 0.3944(11) 0.080(5) Uani 1 1 d D U . . .
H84 H 1.156569 0.201865 0.391598 0.096 Uiso 1 1 calc R . . . .
C83 C 1.1806(11) 0.1304(5) 0.4217(10) 0.077(5) Uani 1 1 d D U . . .
H83 H 1.249041 0.133081 0.435988 0.092 Uiso 1 1 calc R . . . .
C76 C 0.9206(17) 0.1957(8) 0.0944(10) 0.065(6) Uani 0.65(2) 1 d D U P B 1
H76 H 0.913092 0.191006 0.046867 0.078 Uiso 0.65(2) 1 calc R . P B 1
C75 C 0.9760(15) 0.1620(9) 0.1420(8) 0.067(6) Uani 0.65(2) 1 d D U P B 1
H75 H 1.006311 0.134795 0.125487 0.081 Uiso 0.65(2) 1 calc R . P B 1
C74 C 0.9874(15) 0.1677(9) 0.2135(9) 0.062(6) Uani 0.65(2) 1 d D U P B 1
H74 H 1.024571 0.144731 0.244604 0.074 Uiso 0.65(2) 1 calc R . P B 1
C73 C 0.9420(12) 0.2082(7) 0.2368(8) 0.035(4) Uani 0.65(2) 1 d D U P B 1
C78 C 0.8885(11) 0.2430(7) 0.1902(7) 0.041(4) Uani 0.65(2) 1 d D U P B 1
H78 H 0.860410 0.270917 0.206887 0.049 Uiso 0.65(2) 1 calc R . P B 1
C77 C 0.8767(13) 0.2366(7) 0.1194(7) 0.051(4) Uani 0.65(2) 1 d D U P B 1
H77 H 0.839442 0.259635 0.088451 0.061 Uiso 0.65(2) 1 calc R . P B 1
C73A C 0.913(3) 0.2123(17) 0.224(2) 0.069(11) Uani 0.35(2) 1 d D U P B 2
C78A C 0.818(3) 0.2123(12) 0.1861(17) 0.069(9) Uani 0.35(2) 1 d D U P B 2
H78A H 0.765934 0.216678 0.208032 0.082 Uiso 0.35(2) 1 calc R . P B 2
C77A C 0.798(3) 0.2060(15) 0.1158(19) 0.073(10) Uani 0.35(2) 1 d D U P B 2
H77A H 0.733390 0.206019 0.089663 0.087 Uiso 0.35(2) 1 calc R . P B 2
C76A C 0.874(3) 0.200(2) 0.084(2) 0.081(12) Uani 0.35(2) 1 d D U P B 2
H76A H 0.860834 0.194949 0.035749 0.097 Uiso 0.35(2) 1 calc R . P B 2
C75A C 0.969(3) 0.200(2) 0.122(2) 0.085(12) Uani 0.35(2) 1 d D U P B 2
H75A H 1.020742 0.194827 0.100006 0.103 Uiso 0.35(2) 1 calc R . P B 2
C74A C 0.989(3) 0.207(2) 0.192(2) 0.091(12) Uani 0.35(2) 1 d D U P B 2
H74A H 1.054244 0.208816 0.217440 0.109 Uiso 0.35(2) 1 calc R . P 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
Ag6 Ag4 3.2478(10) . ?
Ag6 Ag5 3.2087(9) . ?
Ag6 P10 2.433(3) . ?
Ag6 Cl3 2.640(2) . ?
Ag6 Cl4 2.746(2) . ?
Ag6 P11 2.429(3) . ?
Ag1 Ag3 3.2646(10) . ?
Ag1 Ag2 3.2277(11) . ?
Ag1 Cl2 2.665(3) . ?
Ag1 Cl1 2.677(3) . ?
Ag1 P1 2.428(3) . ?
Ag1 P6 2.430(3) . ?
Ag4 Ag5 3.1805(10) . ?
Ag4 P7 2.436(2) . ?
Ag4 Cl3 2.793(3) . ?
Ag4 Cl4 2.639(2) . ?
Ag4 P12 2.435(3) . ?
Ag3 Ag2 3.1737(10) . ?
Ag3 Cl2 2.735(3) . ?
Ag3 Cl1 2.643(2) . ?
Ag3 P5 2.443(3) . ?
Ag3 P4 2.422(3) . ?
Ag2 Cl2 2.662(2) . ?
Ag2 Cl1 2.725(3) . ?
Ag2 P2 2.441(3) . ?
Ag2 P3 2.436(3) . ?
Ag5 P9 2.425(3) . ?
Ag5 P8 2.428(3) . ?
Ag5 Cl3 2.660(3) . ?
Ag5 Cl4 2.663(2) . ?
P10 C109 1.816(11) . ?
P10 N5 1.690(9) . ?
P10 C115 1.828(10) . ?
P7 N4 1.697(10) . ?
P7 C79 1.837(12) . ?
P7 C73 1.787(16) . ?
P7 C73A 1.97(4) . ?
P9 N5 1.704(9) . ?
P9 C97 1.808(12) . ?
P9 C103 1.802(13) . ?
P5 C49 1.828(10) . ?
P5 C55 1.811(13) . ?
P5 N3 1.688(9) . ?
P8 N4 1.691(10) . ?
P8 C91 1.839(12) . ?
P8 C85 1.838(12) . ?
P4 N2 1.676(10) . ?
P4 C43 1.816(10) . ?
P4 C37 1.864(11) . ?
P2 N1 1.702(10) . ?
P2 C19 1.822(10) . ?
P2 C13 1.84(3) . ?
P2 C13A 1.82(6) . ?
P1 N1 1.690(10) . ?
P1 C7 1.830(12) . ?
P1 C1 1.821(15) . ?
P6 C61 1.813(12) . ?
P6 C67 1.830(11) . ?
P6 N3 1.702(9) . ?
P11 C121 1.824(10) . ?
P11 C127 1.825(10) . ?
P11 N6 1.689(10) . ?
P12 C133 1.869(13) . ?
P12 N6 1.683(9) . ?
P12 C139 1.787(15) . ?
P3 C25 1.810(11) . ?
P3 N2 1.695(9) . ?
P3 C31 1.817(13) . ?
F1 B1 1.398(16) . ?
C109 C110 1.370(17) . ?
C109 C114 1.392(15) . ?
F3 B1 1.308(17) . ?
C126 C121 1.375(16) . ?
C126 C125 1.407(17) . ?
C61 C62 1.408(15) . ?
C61 C66 1.378(17) . ?
C121 C122 1.399(14) . ?
C10 C9 1.388(16) . ?
C10 C11 1.371(17) . ?
C115 C116 1.379(16) . ?
C115 C120 1.395(14) . ?
C24 C23 1.40(2) . ?
C24 C19 1.369(19) . ?
C98 C97 1.390(18) . ?
C98 C99 1.376(16) . ?
C110 C111 1.353(19) . ?
C136 C135 1.38(2) . ?
C136 C137 1.33(2) . ?
C69 C68 1.367(17) . ?
C69 C70 1.37(2) . ?
C129 C128 1.373(15) . ?
C129 C130 1.377(19) . ?
C111 C112 1.435(19) . ?
C8 C7 1.387(15) . ?
C8 C9 1.395(16) . ?
C7 C12 1.370(16) . ?
C12 C11 1.406(18) . ?
C128 C127 1.397(15) . ?
F2 B1 1.31(2) . ?
C133 C138 1.34(2) . ?
C133 C134 1.42(2) . ?
C25 C30 1.40(2) . ?
C25 C26 1.407(19) . ?
C125 C124 1.372(19) . ?
C49 C50 1.384(16) . ?
C49 C54 1.393(15) . ?
C122 C123 1.364(15) . ?
C1 C6 1.375(19) . ?
C1 C2 1.406(16) . ?
C23 C22 1.31(3) . ?
C40 C41 1.367(19) . ?
C40 C39 1.40(2) . ?
C55 C56 1.415(16) . ?
C55 C60 1.432(18) . ?
C116 C117 1.391(16) . ?
C63 C62 1.398(18) . ?
C63 C64 1.35(2) . ?
C91 C92 1.385(16) . ?
C91 C96 1.379(15) . ?
C112 C113 1.36(2) . ?
C127 C132 1.384(15) . ?
C19 C20 1.381(17) . ?
C97 C102 1.398(15) . ?
C50 C51 1.375(15) . ?
C54 C53 1.381(16) . ?
C42 C41 1.390(17) . ?
C42 C37 1.361(17) . ?
C114 C113 1.396(16) . ?
C67 C68 1.387(16) . ?
C67 C72 1.37(2) . ?
C36 C31 1.367(18) . ?
C36 C35 1.38(2) . ?
C46 C45 1.40(2) . ?
C46 C47 1.359(18) . ?
C44 C43 1.391(16) . ?
C44 C45 1.380(16) . ?
C92 C93 1.357(19) . ?
C48 C43 1.396(15) . ?
C48 C47 1.386(15) . ?
C20 C21 1.39(2) . ?
C22 C21 1.39(3) . ?
C123 C124 1.407(17) . ?
C56 C57 1.358(17) . ?
C66 C65 1.392(18) . ?
C31 C32 1.344(18) . ?
C86 C85 1.373(19) . ?
C86 C87 1.389(19) . ?
C117 C118 1.363(17) . ?
C104 C103 1.428(16) . ?
C104 C105 1.39(2) . ?
C103 C108 1.379(17) . ?
C64 C65 1.415(18) . ?
C93 C94 1.392(19) . ?
C131 C130 1.396(18) . ?
C131 C132 1.372(15) . ?
C30 C29 1.385(19) . ?
C6 C5 1.363(19) . ?
F4 B1 1.42(3) . ?
C100 C99 1.34(2) . ?
C100 C101 1.39(2) . ?
C85 C90 1.386(19) . ?
C139 C144 1.31(2) . ?
C139 C140 1.39(2) . ?
C135 C134 1.36(2) . ?
C51 C52 1.41(2) . ?
C37 C38 1.382(16) . ?
C143 C144 1.45(2) . ?
C143 C142 1.30(3) . ?
F6 B2 1.27(3) . ?
C28 C29 1.40(3) . ?
C28 C27 1.38(3) . ?
C57 C58 1.38(2) . ?
C137 C138 1.38(2) . ?
F5 B2 1.41(2) . ?
C105 C106 1.39(2) . ?
C35 C34 1.37(3) . ?
C119 C118 1.39(2) . ?
C119 C120 1.394(18) . ?
C39 C38 1.338(18) . ?
C87 C88 1.40(2) . ?
C70 C71 1.38(3) . ?
C2 C3 1.42(2) . ?
C3 C4 1.33(3) . ?
C142 C141 1.49(3) . ?
C26 C27 1.401(19) . ?
C94 C95 1.371(18) . ?
C89 C88 1.39(3) . ?
C89 C90 1.386(17) . ?
C53 C52 1.33(2) . ?
C141 C140 1.40(3) . ?
C106 C107 1.39(2) . ?
C96 C95 1.36(2) . ?
C60 C59 1.39(2) . ?
C108 C107 1.40(2) . ?
C5 C4 1.37(2) . ?
C34 C33 1.31(3) . ?
C101 C102 1.414(16) . ?
F8 B2 1.32(4) . ?
C71 C72 1.38(2) . ?
F7 B2 1.49(4) . ?
C59 C58 1.40(3) . ?
C33 C32 1.41(2) . ?
C17 C18 1.40(2) . ?
C17 C16 1.38(2) . ?
C18 C13 1.379(19) . ?
C13 C14 1.40(2) . ?
C14 C15 1.39(2) . ?
C15 C16 1.39(2) . ?
C14A C13A 1.37(3) . ?
C14A C15A 1.36(3) . ?
C13A C18A 1.37(3) . ?
C18A C17A 1.35(3) . ?
C17A C16A 1.36(3) . ?
C16A C15A 1.36(3) . ?
C82 C81 1.361(17) . ?
C82 C83 1.354(16) . ?
C81 C80 1.391(17) . ?
C80 C79 1.355(15) . ?
C79 C84 1.355(14) . ?
C84 C83 1.368(14) . ?
C76 C75 1.391(19) . ?
C76 C77 1.387(18) . ?
C75 C74 1.393(17) . ?
C74 C73 1.378(17) . ?
C73 C78 1.388(16) . ?
C78 C77 1.382(16) . ?
C73A C78A 1.36(3) . ?
C73A C74A 1.37(3) . ?
C78A C77A 1.36(3) . ?
C77A C76A 1.36(3) . ?
C76A C75A 1.36(3) . ?
C75A C74A 1.36(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag5 Ag6 Ag4 59.02(2) . . ?
P10 Ag6 Ag4 146.53(6) . . ?
P10 Ag6 Ag5 87.51(6) . . ?
P10 Ag6 Cl3 105.85(9) . . ?
P10 Ag6 Cl4 109.56(8) . . ?
Cl3 Ag6 Ag4 55.48(6) . . ?
Cl3 Ag6 Ag5 53.03(6) . . ?
Cl3 Ag6 Cl4 92.71(7) . . ?
Cl4 Ag6 Ag4 51.42(5) . . ?
Cl4 Ag6 Ag5 52.43(5) . . ?
P11 Ag6 Ag4 87.75(6) . . ?
P11 Ag6 Ag5 146.63(7) . . ?
P11 Ag6 P10 125.67(8) . . ?
P11 Ag6 Cl3 112.26(9) . . ?
P11 Ag6 Cl4 105.83(8) . . ?
Ag2 Ag1 Ag3 58.52(2) . . ?
Cl2 Ag1 Ag3 53.79(6) . . ?
Cl2 Ag1 Ag2 52.67(6) . . ?
Cl2 Ag1 Cl1 92.86(8) . . ?
Cl1 Ag1 Ag3 51.68(5) . . ?
Cl1 Ag1 Ag2 54.00(6) . . ?
P1 Ag1 Ag3 145.75(7) . . ?
P1 Ag1 Ag2 87.67(7) . . ?
P1 Ag1 Cl2 111.56(9) . . ?
P1 Ag1 Cl1 105.61(9) . . ?
P1 Ag1 P6 124.70(9) . . ?
P6 Ag1 Ag3 88.80(6) . . ?
P6 Ag1 Ag2 147.32(7) . . ?
P6 Ag1 Cl2 110.40(9) . . ?
P6 Ag1 Cl1 106.56(9) . . ?
Ag5 Ag4 Ag6 59.88(2) . . ?
P7 Ag4 Ag6 146.43(7) . . ?
P7 Ag4 Ag5 87.37(7) . . ?
P7 Ag4 Cl3 104.21(8) . . ?
P7 Ag4 Cl4 113.26(8) . . ?
Cl3 Ag4 Ag6 51.16(5) . . ?
Cl3 Ag4 Ag5 52.40(6) . . ?
Cl4 Ag4 Ag6 54.43(5) . . ?
Cl4 Ag4 Ag5 53.48(5) . . ?
Cl4 Ag4 Cl3 91.68(7) . . ?
P12 Ag4 Ag6 86.15(7) . . ?
P12 Ag4 Ag5 146.02(7) . . ?
P12 Ag4 P7 126.20(9) . . ?
P12 Ag4 Cl3 107.15(10) . . ?
P12 Ag4 Cl4 108.34(8) . . ?
Ag2 Ag3 Ag1 60.16(2) . . ?
Cl2 Ag3 Ag1 51.82(6) . . ?
Cl2 Ag3 Ag2 52.92(5) . . ?
Cl1 Ag3 Ag1 52.63(6) . . ?
Cl1 Ag3 Ag2 54.96(6) . . ?
Cl1 Ag3 Cl2 92.03(8) . . ?
P5 Ag3 Ag1 84.88(6) . . ?
P5 Ag3 Ag2 144.96(6) . . ?
P5 Ag3 Cl2 108.28(8) . . ?
P5 Ag3 Cl1 103.12(8) . . ?
P4 Ag3 Ag1 149.02(7) . . ?
P4 Ag3 Ag2 89.40(6) . . ?
P4 Ag3 Cl2 106.50(9) . . ?
P4 Ag3 Cl1 116.04(8) . . ?
P4 Ag3 P5 125.62(8) . . ?
Ag3 Ag2 Ag1 61.32(2) . . ?
Cl2 Ag2 Ag1 52.74(6) . . ?
Cl2 Ag2 Ag3 55.06(6) . . ?
Cl2 Ag2 Cl1 91.85(8) . . ?
Cl1 Ag2 Ag1 52.64(6) . . ?
Cl1 Ag2 Ag3 52.58(5) . . ?
P2 Ag2 Ag1 87.11(7) . . ?
P2 Ag2 Ag3 147.99(7) . . ?
P2 Ag2 Cl2 111.04(8) . . ?
P2 Ag2 Cl1 105.08(9) . . ?
P3 Ag2 Ag1 147.58(6) . . ?
P3 Ag2 Ag3 86.34(6) . . ?
P3 Ag2 Cl2 107.91(8) . . ?
P3 Ag2 Cl1 110.50(9) . . ?
P3 Ag2 P2 125.31(9) . . ?
Ag4 Ag5 Ag6 61.10(2) . . ?
P9 Ag5 Ag6 87.53(6) . . ?
P9 Ag5 Ag4 148.62(6) . . ?
P9 Ag5 P8 122.84(9) . . ?
P9 Ag5 Cl3 106.29(9) . . ?
P9 Ag5 Cl4 109.76(8) . . ?
P8 Ag5 Ag6 149.24(7) . . ?
P8 Ag5 Ag4 88.48(7) . . ?
P8 Ag5 Cl3 108.20(9) . . ?
P8 Ag5 Cl4 111.56(8) . . ?
Cl3 Ag5 Ag6 52.47(5) . . ?
Cl3 Ag5 Ag4 56.29(6) . . ?
Cl3 Ag5 Cl4 94.18(7) . . ?
Cl4 Ag5 Ag6 54.82(5) . . ?
Cl4 Ag5 Ag4 52.80(5) . . ?
Ag1 Cl2 Ag3 74.38(7) . . ?
Ag2 Cl2 Ag1 74.59(6) . . ?
Ag2 Cl2 Ag3 72.02(6) . . ?
Ag1 Cl1 Ag2 73.36(7) . . ?
Ag3 Cl1 Ag1 75.69(6) . . ?
Ag3 Cl1 Ag2 72.46(6) . . ?
C109 P10 Ag6 115.6(4) . . ?
C109 P10 C115 104.1(5) . . ?
N5 P10 Ag6 117.9(3) . . ?
N5 P10 C109 106.7(5) . . ?
N5 P10 C115 101.0(5) . . ?
C115 P10 Ag6 109.7(4) . . ?
N4 P7 Ag4 119.8(3) . . ?
N4 P7 C79 101.6(5) . . ?
N4 P7 C73 100.4(7) . . ?
N4 P7 C73A 104.3(13) . . ?
C79 P7 Ag4 114.1(4) . . ?
C79 P7 C73A 112.3(13) . . ?
C73 P7 Ag4 115.9(5) . . ?
C73 P7 C79 102.5(7) . . ?
C73A P7 Ag4 104.5(11) . . ?
N5 P9 Ag5 117.8(3) . . ?
N5 P9 C97 102.0(4) . . ?
N5 P9 C103 106.5(5) . . ?
C97 P9 Ag5 109.0(4) . . ?
C103 P9 Ag5 114.7(4) . . ?
C103 P9 C97 105.4(5) . . ?
C49 P5 Ag3 113.5(4) . . ?
C55 P5 Ag3 108.4(5) . . ?
C55 P5 C49 105.6(5) . . ?
N3 P5 Ag3 120.3(3) . . ?
N3 P5 C49 106.6(5) . . ?
N3 P5 C55 100.9(5) . . ?
N4 P8 Ag5 118.9(3) . . ?
N4 P8 C91 105.4(5) . . ?
N4 P8 C85 102.4(5) . . ?
C91 P8 Ag5 112.0(4) . . ?
C85 P8 Ag5 112.4(3) . . ?
C85 P8 C91 104.4(5) . . ?
Ag6 Cl3 Ag4 73.36(6) . . ?
Ag6 Cl3 Ag5 74.51(7) . . ?
Ag5 Cl3 Ag4 71.31(6) . . ?
N2 P4 Ag3 117.3(3) . . ?
N2 P4 C43 102.6(5) . . ?
N2 P4 C37 106.3(5) . . ?
C43 P4 Ag3 110.1(3) . . ?
C43 P4 C37 103.0(5) . . ?
C37 P4 Ag3 115.7(4) . . ?
Ag4 Cl4 Ag6 74.15(6) . . ?
Ag4 Cl4 Ag5 73.72(6) . . ?
Ag5 Cl4 Ag6 72.75(6) . . ?
N1 P2 Ag2 119.3(3) . . ?
N1 P2 C19 100.5(5) . . ?
N1 P2 C13 107.5(9) . . ?
N1 P2 C13A 98(2) . . ?
C19 P2 Ag2 111.3(4) . . ?
C19 P2 C13 103.8(9) . . ?
C13 P2 Ag2 112.7(7) . . ?
C13A P2 Ag2 117.8(17) . . ?
C13A P2 C19 107.5(19) . . ?
N1 P1 Ag1 119.5(3) . . ?
N1 P1 C7 103.9(5) . . ?
N1 P1 C1 103.7(6) . . ?
C7 P1 Ag1 113.3(3) . . ?
C1 P1 Ag1 110.9(4) . . ?
C1 P1 C7 104.0(5) . . ?
C61 P6 Ag1 114.2(4) . . ?
C61 P6 C67 104.6(5) . . ?
C67 P6 Ag1 112.4(4) . . ?
N3 P6 Ag1 116.0(3) . . ?
N3 P6 C61 107.4(5) . . ?
N3 P6 C67 100.8(5) . . ?
C121 P11 Ag6 115.3(3) . . ?
C121 P11 C127 103.7(5) . . ?
C127 P11 Ag6 108.5(3) . . ?
N6 P11 Ag6 118.5(3) . . ?
N6 P11 C121 106.6(5) . . ?
N6 P11 C127 102.6(5) . . ?
C133 P12 Ag4 110.1(4) . . ?
N6 P12 Ag4 119.5(3) . . ?
N6 P12 C133 104.1(5) . . ?
N6 P12 C139 101.9(5) . . ?
C139 P12 Ag4 115.1(4) . . ?
C139 P12 C133 104.6(7) . . ?
C25 P3 Ag2 112.7(5) . . ?
C25 P3 C31 103.3(5) . . ?
N2 P3 Ag2 119.2(4) . . ?
N2 P3 C25 105.1(5) . . ?
N2 P3 C31 101.9(6) . . ?
C31 P3 Ag2 112.9(4) . . ?
C110 C109 P10 125.0(9) . . ?
C110 C109 C114 118.2(10) . . ?
C114 C109 P10 116.7(8) . . ?
P10 N5 P9 124.2(6) . . ?
C121 C126 C125 121.0(11) . . ?
C62 C61 P6 122.2(9) . . ?
C66 C61 P6 118.9(8) . . ?
C66 C61 C62 118.7(11) . . ?
P1 N1 P2 124.8(6) . . ?
C126 C121 P11 123.3(8) . . ?
C126 C121 C122 118.2(9) . . ?
C122 C121 P11 118.5(8) . . ?
C11 C10 C9 119.0(11) . . ?
C116 C115 P10 117.1(7) . . ?
C116 C115 C120 119.2(10) . . ?
C120 C115 P10 123.6(9) . . ?
C19 C24 C23 118.8(14) . . ?
C99 C98 C97 122.2(11) . . ?
C111 C110 C109 122.3(12) . . ?
C137 C136 C135 126.6(18) . . ?
C70 C69 C68 122.0(13) . . ?
C128 C129 C130 121.1(11) . . ?
C110 C111 C112 119.5(13) . . ?
C7 C8 C9 120.0(10) . . ?
P8 N4 P7 125.2(6) . . ?
C8 C7 P1 122.4(8) . . ?
C12 C7 P1 118.3(8) . . ?
C12 C7 C8 119.2(11) . . ?
C7 C12 C11 120.8(10) . . ?
C129 C128 C127 119.8(10) . . ?
C138 C133 P12 122.6(11) . . ?
C138 C133 C134 119.2(13) . . ?
C134 C133 P12 118.2(10) . . ?
C30 C25 P3 121.8(10) . . ?
C30 C25 C26 120.4(12) . . ?
C26 C25 P3 117.7(11) . . ?
C124 C125 C126 120.1(12) . . ?
C50 C49 P5 118.0(8) . . ?
C50 C49 C54 119.3(9) . . ?
C54 C49 P5 122.7(8) . . ?
C123 C122 C121 121.3(10) . . ?
C6 C1 P1 118.8(9) . . ?
C6 C1 C2 118.2(13) . . ?
C2 C1 P1 122.8(12) . . ?
C22 C23 C24 122.3(17) . . ?
C10 C9 C8 120.7(10) . . ?
C41 C40 C39 118.8(11) . . ?
C56 C55 P5 124.7(9) . . ?
C56 C55 C60 119.7(12) . . ?
C60 C55 P5 115.0(10) . . ?
C115 C116 C117 120.5(10) . . ?
C64 C63 C62 121.1(11) . . ?
C92 C91 P8 116.4(8) . . ?
C96 C91 P8 124.7(9) . . ?
C96 C91 C92 118.8(11) . . ?
P4 N2 P3 125.5(6) . . ?
C113 C112 C111 118.9(11) . . ?
C128 C127 P11 122.6(8) . . ?
C132 C127 P11 117.5(8) . . ?
C132 C127 C128 119.5(9) . . ?
C24 C19 P2 116.0(9) . . ?
C24 C19 C20 119.5(11) . . ?
C20 C19 P2 124.5(10) . . ?
C98 C97 P9 118.5(8) . . ?
C98 C97 C102 117.6(11) . . ?
C102 C97 P9 123.9(10) . . ?
C51 C50 C49 120.5(11) . . ?
C53 C54 C49 119.4(11) . . ?
C37 C42 C41 119.4(11) . . ?
C109 C114 C113 121.0(11) . . ?
C68 C67 P6 122.3(9) . . ?
C72 C67 P6 118.2(10) . . ?
C72 C67 C68 119.4(12) . . ?
C31 C36 C35 121.6(14) . . ?
C47 C46 C45 119.5(10) . . ?
C63 C62 C61 119.3(12) . . ?
P12 N6 P11 125.1(6) . . ?
C45 C44 C43 120.8(11) . . ?
C93 C92 C91 120.6(11) . . ?
C69 C68 C67 119.7(11) . . ?
C47 C48 C43 119.7(11) . . ?
C19 C20 C21 119.9(15) . . ?
C23 C22 C21 119.7(14) . . ?
C122 C123 C124 120.5(11) . . ?
C57 C56 C55 119.6(11) . . ?
C61 C66 C65 122.3(10) . . ?
C36 C31 P3 123.4(10) . . ?
C32 C31 P3 118.5(10) . . ?
C32 C31 C36 118.1(13) . . ?
C85 C86 C87 120.6(14) . . ?
C118 C117 C116 120.7(11) . . ?
C44 C43 P4 117.0(8) . . ?
C44 C43 C48 118.9(10) . . ?
C48 C43 P4 124.0(8) . . ?
C105 C104 C103 119.5(12) . . ?
C104 C103 P9 118.3(9) . . ?
C108 C103 P9 123.4(9) . . ?
C108 C103 C104 118.3(12) . . ?
C63 C64 C65 120.9(12) . . ?
C92 C93 C94 120.2(12) . . ?
C132 C131 C130 120.8(11) . . ?
C29 C30 C25 119.9(15) . . ?
C129 C130 C131 118.8(10) . . ?
P5 N3 P6 124.3(6) . . ?
C5 C6 C1 121.2(13) . . ?
C112 C113 C114 120.0(11) . . ?
C99 C100 C101 120.7(11) . . ?
C86 C85 P8 121.1(10) . . ?
C86 C85 C90 120.0(12) . . ?
C90 C85 P8 118.6(10) . . ?
C66 C65 C64 117.6(12) . . ?
C144 C139 P12 122.5(11) . . ?
C144 C139 C140 122.7(15) . . ?
C140 C139 P12 114.7(13) . . ?
C40 C41 C42 120.1(12) . . ?
C10 C11 C12 120.2(11) . . ?
C134 C135 C136 115.1(16) . . ?
C50 C51 C52 119.2(11) . . ?
C42 C37 P4 117.1(8) . . ?
C42 C37 C38 120.9(10) . . ?
C38 C37 P4 122.0(9) . . ?
C142 C143 C144 119.6(17) . . ?
C27 C28 C29 120.1(12) . . ?
C139 C144 C143 121.1(14) . . ?
C56 C57 C58 120.3(12) . . ?
C136 C137 C138 116.5(17) . . ?
C133 C138 C137 121.6(14) . . ?
C100 C99 C98 120.1(14) . . ?
C131 C132 C127 120.0(10) . . ?
C30 C29 C28 119.9(16) . . ?
C135 C134 C133 120.9(14) . . ?
C44 C45 C46 119.7(11) . . ?
C104 C105 C106 121.6(12) . . ?
C34 C35 C36 118.4(15) . . ?
C118 C119 C120 120.3(11) . . ?
C38 C39 C40 121.2(12) . . ?
C117 C118 C119 119.5(10) . . ?
C86 C87 C88 119.2(15) . . ?
C69 C70 C71 117.7(14) . . ?
C1 C2 C3 117.4(15) . . ?
C4 C3 C2 123.3(14) . . ?
C143 C142 C141 119(2) . . ?
C27 C26 C25 118.6(17) . . ?
C28 C27 C26 120.8(17) . . ?
C95 C94 C93 119.0(13) . . ?
C90 C89 C88 119.1(15) . . ?
C52 C53 C54 121.7(12) . . ?
C89 C88 C87 120.2(12) . . ?
C140 C141 C142 119.4(16) . . ?
C105 C106 C107 118.8(13) . . ?
C53 C52 C51 120.0(11) . . ?
C95 C96 C91 120.7(12) . . ?
C59 C60 C55 119.2(13) . . ?
C103 C108 C107 121.7(12) . . ?
C125 C124 C123 118.9(11) . . ?
C46 C47 C48 121.4(11) . . ?
C106 C107 C108 120.0(13) . . ?
C139 C140 C141 117.1(17) . . ?
C119 C120 C115 119.7(12) . . ?
C20 C21 C22 119.7(15) . . ?
C96 C95 C94 120.7(12) . . ?
C6 C5 C4 121.9(15) . . ?
C33 C34 C35 121.1(15) . . ?
C100 C101 C102 119.6(12) . . ?
C39 C38 C37 119.5(12) . . ?
C97 C102 C101 119.7(13) . . ?
C89 C90 C85 120.7(15) . . ?
C3 C4 C5 117.9(14) . . ?
C70 C71 C72 121.2(16) . . ?
C60 C59 C58 118.6(14) . . ?
C67 C72 C71 119.8(15) . . ?
C57 C58 C59 122.1(13) . . ?
C34 C33 C32 120.1(16) . . ?
C31 C32 C33 120.6(14) . . ?
F1 B1 F4 106.3(15) . . ?
F3 B1 F1 112.2(11) . . ?
F3 B1 F4 108.2(16) . . ?
F2 B1 F1 108.0(13) . . ?
F2 B1 F3 117.7(18) . . ?
F2 B1 F4 103.6(16) . . ?
F6 B2 F5 115.9(16) . . ?
F6 B2 F8 117(3) . . ?
F6 B2 F7 112(2) . . ?
F5 B2 F7 102(3) . . ?
F8 B2 F5 106.0(18) . . ?
F8 B2 F7 102(2) . . ?
C16 C17 C18 119.2(17) . . ?
C13 C18 C17 121.2(17) . . ?
C18 C13 P2 120.8(16) . . ?
C18 C13 C14 119.5(17) . . ?
C14 C13 P2 119.7(15) . . ?
C15 C14 C13 119.0(17) . . ?
C16 C15 C14 120.9(17) . . ?
C17 C16 C15 120.0(17) . . ?
C15A C14A C13A 119(3) . . ?
C14A C13A P2 127(3) . . ?
C18A C13A P2 112(3) . . ?
C18A C13A C14A 120(3) . . ?
C17A C18A C13A 120(3) . . ?
C18A C17A C16A 120(2) . . ?
C15A C16A C17A 120(2) . . ?
C16A C15A C14A 120(2) . . ?
C83 C82 C81 118.0(14) . . ?
C82 C81 C80 122.8(16) . . ?
C79 C80 C81 118.2(15) . . ?
C80 C79 P7 115.4(10) . . ?
C84 C79 P7 126.5(9) . . ?
C84 C79 C80 118.0(12) . . ?
C79 C84 C83 123.5(12) . . ?
C82 C83 C84 118.9(13) . . ?
C77 C76 C75 118.8(16) . . ?
C76 C75 C74 121.9(17) . . ?
C73 C74 C75 118.1(16) . . ?
C74 C73 P7 124.4(12) . . ?
C74 C73 C78 120.8(14) . . ?
C78 C73 P7 114.8(11) . . ?
C77 C78 C73 120.5(14) . . ?
C78 C77 C76 119.9(14) . . ?
C78A C73A P7 122(2) . . ?
C78A C73A C74A 120(3) . . ?
C74A C73A P7 118(3) . . ?
C77A C78A C73A 120(3) . . ?
C76A C77A C78A 120(3) . . ?
C77A C76A C75A 120(2) . . ?
C74A C75A C76A 120(2) . . ?
C75A C74A C73A 120(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.150 0.018 0.081 197.0 44.3 ?
2 -0.083 0.063 0.509 7.3 0.0 ?
3 0.004 0.207 0.507 10.7 0.0 ?
4 0.150 0.518 0.919 197.0 45.6 ?
5 0.083 0.563 0.491 7.3 0.0 ?
6 -0.004 0.707 0.493 10.7 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.678
_oxdiff_exptl_absorpt_empirical_full_min 0.628
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.949(9)
2 0.051(9)

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Hygroscopic,Oxygen-sensitive,Light-sensitive,Photo-sensitive
