# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_mo_CesFe11_0m
_database_code_depnum_ccdc_archive 'CCDC 2406496'
loop_
_audit_author_name
_audit_author_address
'Thomas Pickl'
;Technical University of Munich
Germany
;

_audit_update_record             
;
2026-02-23 deposited with the CCDC.	2026-02-24 downloaded from the CCDC.
;

_audit_creation_method           
;FinalCif V154 by Daniel Kratzert, Freiburg 2026, 
https://dkratzert.de/finalcif.html
;

loop_
_publ_author_phone
''
''
''
''
''
''
''
''
''
''
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C60 H48 Cu F6 P5'
_chemical_formula_moiety         ?
_chemical_formula_weight         1101.37
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.6792(3)
_cell_length_b                   12.9093(3)
_cell_length_c                   15.3195(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.5490(10)
_cell_angle_gamma                90
_cell_volume                     2675.20(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    9776
_cell_measurement_theta_min      2.1805
_cell_measurement_theta_max      26.3465
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.398
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.213
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7185
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.791
_shelx_estimated_absorpt_T_max   0.880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           
;Diffractometer operator             T. Pickl
scanspeed                           5 s per frame
dx                                  38 mm
2671 frames measured in 10 data sets
phi-scans with delta_phi         = 0.5
omega-scans with delta_omega     = 0.5
shutterless mode
;
_diffrn_ambient_temperature      291(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'IMS microsource'
_diffrn_source_type              ?
_diffrn_source_voltage           50.0
_diffrn_source_current           1.0
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_measurement_device       'three-angle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Duo'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            110611
_diffrn_reflns_av_unetI/netI     0.0116
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_theta_min         2.073
_diffrn_reflns_theta_max         26.394
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5480
_reflns_number_gt                4977
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker BIS V6.2.12/2019-08-12'
_computing_cell_refinement       'SAINT V8.40A'
_computing_data_reduction        'SAINT V8.40A'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  
'SHELXL (Sheldrick, 2015), SHELXLE (Huebschle, 2011)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2004)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0350P)²+1.0724P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5480
_refine_ls_number_parameters     476
_refine_ls_number_restraints     766
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0270
_refine_ls_wR_factor_ref         0.0743
_refine_ls_wR_factor_gt          0.0712
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_diff_density_max         0.262
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_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_
_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
Cu1 Cu 0.750000 0.64182(2) 0.250000 0.03144(8) Uani 1 2 d S T P A .
P1 P 0.63789(3) 0.56079(3) 0.32419(2) 0.03253(10) Uani 1 1 d . . . . .
P2 P 0.70283(3) 0.72720(3) 0.11833(2) 0.03320(10) Uani 1 1 d . . . . .
C1 C 0.70341(11) 0.55290(12) 0.43725(10) 0.0341(3) Uani 1 1 d . . . . .
C2 C 0.68416(13) 0.47810(14) 0.49806(12) 0.0457(4) Uani 1 1 d . . . . .
H2 H 0.641332 0.423750 0.479839 0.055 Uiso 1 1 calc R U . . .
C3 C 0.72807(15) 0.48394(16) 0.58507(12) 0.0572(5) Uani 1 1 d . . . . .
H3 H 0.715359 0.433178 0.624971 0.069 Uiso 1 1 calc R U . . .
C4 C 0.79088(16) 0.56506(17) 0.61298(12) 0.0593(5) Uani 1 1 d . . . . .
H4 H 0.819138 0.569582 0.671939 0.071 Uiso 1 1 calc R U . . .
C5 C 0.81189(14) 0.63950(15) 0.55371(11) 0.0487(4) Uani 1 1 d . . . . .
H5 H 0.854344 0.693805 0.572974 0.058 Uiso 1 1 calc R U . . .
C6 C 0.76981(11) 0.63369(12) 0.46510(10) 0.0354(3) Uani 1 1 d . . . . .
C13 C 0.77967(12) 0.83969(12) 0.10465(10) 0.0378(3) Uani 1 1 d . . . . .
C14 C 0.77848(15) 0.89065(15) 0.02468(12) 0.0523(4) Uani 1 1 d . . . . .
H14 H 0.734281 0.870254 -0.024393 0.063 Uiso 1 1 calc R U . . .
C15 C 0.84314(18) 0.97190(17) 0.01799(14) 0.0652(6) Uani 1 1 d . . . . .
H15 H 0.841599 1.006050 -0.035654 0.078 Uiso 1 1 calc R U . . .
C16 C 0.90921(18) 1.00256(17) 0.08924(15) 0.0651(6) Uani 1 1 d . . . . .
H16 H 0.952173 1.057277 0.083977 0.078 Uiso 1 1 calc R U . . .
C17 C 0.91190(17) 0.95223(16) 0.16865(14) 0.0623(5) Uani 1 1 d . . . . .
H17 H 0.957086 0.972324 0.217150 0.075 Uiso 1 1 calc R U . . .
C18 C 0.84721(14) 0.87170(14) 0.17608(12) 0.0483(4) Uani 1 1 d . . . . .
H18 H 0.848990 0.838286 0.230073 0.058 Uiso 1 1 calc R U . . .
C19 C 0.53206(11) 0.64134(12) 0.34023(10) 0.0359(3) Uani 1 1 d . . . . .
C20 C 0.46487(13) 0.66601(16) 0.26586(12) 0.0507(4) Uani 1 1 d . . . . .
H20 H 0.471634 0.636637 0.211648 0.061 Uiso 1 1 calc R U . . .
C21 C 0.38816(14) 0.73385(18) 0.27199(15) 0.0640(6) Uani 1 1 d . . . . .
H21 H 0.343811 0.750317 0.221841 0.077 Uiso 1 1 calc R U . . .
C22 C 0.37704(14) 0.77724(16) 0.35205(16) 0.0605(5) Uani 1 1 d . . . . .
H22 H 0.325875 0.823690 0.355831 0.073 Uiso 1 1 calc R U . . .
C23 C 0.44146(14) 0.75181(15) 0.42597(15) 0.0554(5) Uani 1 1 d . . . . .
H23 H 0.433060 0.779991 0.480228 0.066 Uiso 1 1 calc R U . . .
C24 C 0.51935(12) 0.68423(14) 0.42062(12) 0.0443(4) Uani 1 1 d . . . . .
H24 H 0.563078 0.667741 0.471163 0.053 Uiso 1 1 calc R U . . .
C25 C 0.58239(12) 0.43463(13) 0.29715(11) 0.0402(3) Uani 1 1 d . . . . .
C26 C 0.61771(16) 0.37530(16) 0.23338(14) 0.0598(5) Uani 1 1 d . . . . .
H26 H 0.668008 0.400889 0.204734 0.072 Uiso 1 1 calc R U . . .
C27 C 0.5786(2) 0.27801(19) 0.21194(18) 0.0786(7) Uani 1 1 d . . . . .
H27 H 0.603482 0.237846 0.169891 0.094 Uiso 1 1 calc R U . . .
C28 C 0.50275(19) 0.24096(17) 0.25305(17) 0.0722(6) Uani 1 1 d . . . . .
H28 H 0.477806 0.174834 0.239958 0.087 Uiso 1 1 calc R U . . .
C29 C 0.46404(16) 0.30068(17) 0.31284(15) 0.0618(5) Uani 1 1 d . . . . .
H29 H 0.411364 0.276083 0.338899 0.074 Uiso 1 1 calc R U . . .
C30 C 0.50282(13) 0.39767(15) 0.33484(13) 0.0507(4) Uani 1 1 d . . . . .
H30 H 0.475534 0.438446 0.375091 0.061 Uiso 1 1 calc R U . . .
C1_1 C 0.5748(9) 0.7751(11) 0.0827(10) 0.0343(18) Uani 0.54(4) 1 d D U P A 1
C2_1 C 0.5503(9) 0.8787(10) 0.0925(10) 0.0471(19) Uani 0.54(4) 1 d D U P A 1
H2_1 H 0.598557 0.926698 0.114028 0.057 Uiso 0.54(4) 1 calc R U P A 1
C3_1 C 0.4527(10) 0.9090(12) 0.0695(11) 0.068(2) Uani 0.54(4) 1 d D U P A 1
H3_1 H 0.435795 0.978182 0.075242 0.082 Uiso 0.54(4) 1 calc R U P A 1
C4_1 C 0.3808(8) 0.8388(15) 0.0385(10) 0.068(3) Uani 0.54(4) 1 d D U P A 1
H4_1 H 0.315376 0.860393 0.025465 0.082 Uiso 0.54(4) 1 calc R U P A 1
C5_1 C 0.4043(9) 0.7373(14) 0.0264(11) 0.063(3) Uani 0.54(4) 1 d D U P A 1
H5_1 H 0.355846 0.690316 0.003027 0.075 Uiso 0.54(4) 1 calc R U P A 1
C6_1 C 0.5021(9) 0.7055(12) 0.0497(11) 0.0502(19) Uani 0.54(4) 1 d D U P A 1
H6_1 H 0.518538 0.636410 0.042916 0.060 Uiso 0.54(4) 1 calc R U P A 1
C1_2 C 0.5775(11) 0.7564(14) 0.0717(13) 0.041(3) Uani 0.46(4) 1 d D U P A 2
C2_2 C 0.5422(11) 0.8563(15) 0.0775(12) 0.054(3) Uani 0.46(4) 1 d D U P A 2
H2_2 H 0.586288 0.909401 0.096539 0.065 Uiso 0.46(4) 1 calc R U P A 2
C3_2 C 0.4414(12) 0.8790(17) 0.0552(13) 0.075(3) Uani 0.46(4) 1 d D U P A 2
H3_2 H 0.417995 0.946018 0.060418 0.090 Uiso 0.46(4) 1 calc R U P A 2
C4_2 C 0.3786(9) 0.800(2) 0.0258(10) 0.074(3) Uani 0.46(4) 1 d D U P A 2
H4_2 H 0.312007 0.814795 0.008127 0.089 Uiso 0.46(4) 1 calc R U P A 2
C5_2 C 0.4113(11) 0.7010(18) 0.0216(13) 0.065(3) Uani 0.46(4) 1 d D U P A 2
H5_2 H 0.366726 0.648492 0.002377 0.078 Uiso 0.46(4) 1 calc R U P A 2
C6_2 C 0.5100(11) 0.6779(14) 0.0455(13) 0.047(2) Uani 0.46(4) 1 d D U P A 2
H6_2 H 0.531524 0.609650 0.044173 0.056 Uiso 0.46(4) 1 calc R U P A 2
P1_3 P 0.7508(14) 0.9344(3) 0.7462(11) 0.0401(15) Uani 0.311(17) 1 d D U P B -1
F1_3 F 0.7736(16) 1.0311(13) 0.6863(17) 0.061(4) Uani 0.311(17) 1 d D U P B -1
F2_3 F 0.6414(17) 0.927(2) 0.693(2) 0.059(4) Uani 0.311(17) 1 d D U P B -1
F3_3 F 0.7278(11) 0.8386(9) 0.8065(9) 0.050(4) Uani 0.311(17) 1 d D U P B -1
F4_3 F 0.8559(18) 0.950(3) 0.805(2) 0.072(5) Uani 0.311(17) 1 d D U P B -1
F5_3 F 0.7988(10) 0.8584(9) 0.6821(9) 0.048(4) Uani 0.311(17) 1 d D U P B -1
F6_3 F 0.7088(15) 1.0117(11) 0.8135(17) 0.061(4) Uani 0.311(17) 1 d D U P B -1
P1_4 P 0.7399(15) 0.9331(8) 0.7548(12) 0.063(3) Uani 0.189(17) 1 d D U P B -2
F1_4 F 0.802(2) 0.977(3) 0.6822(14) 0.094(6) Uani 0.189(17) 1 d D U P B -2
F2_4 F 0.8401(17) 0.912(3) 0.821(2) 0.074(6) Uani 0.189(17) 1 d D U P B -2
F3_4 F 0.6777(16) 0.891(2) 0.8277(12) 0.067(4) Uani 0.189(17) 1 d D U P B -2
F4_4 F 0.641(2) 0.940(4) 0.6854(19) 0.073(7) Uani 0.189(17) 1 d D U P B -2
F5_4 F 0.725(2) 1.0481(12) 0.7878(19) 0.085(6) Uani 0.189(17) 1 d D U P B -2
F6_4 F 0.7507(14) 0.8179(14) 0.718(2) 0.074(6) Uani 0.189(17) 1 d D U P B -2


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
Cu1 P1 2.2925(4) 2_655 ?
Cu1 P1 2.2925(4) . ?
Cu1 P2 2.3050(4) 2_655 ?
Cu1 P2 2.3051(4) . ?
P1 C25 1.8185(16) . ?
P1 C19 1.8284(15) . ?
P1 C1 1.8309(15) . ?
P2 C1_2 1.797(15) . ?
P2 C13 1.8229(16) . ?
P2 C6 1.8366(15) 2_655 ?
P2 C1_1 1.861(12) . ?
C1 C2 1.394(2) . ?
C1 C6 1.407(2) . ?
C2 C3 1.380(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.395(2) . ?
C5 H5 0.9300 . ?
C13 C18 1.386(2) . ?
C13 C14 1.389(2) . ?
C14 C15 1.386(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.368(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.381(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.385(2) . ?
C19 C20 1.390(2) . ?
C20 C21 1.381(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.377(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.367(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(2) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.384(3) . ?
C25 C30 1.390(2) . ?
C26 C27 1.385(3) . ?
C26 H26 0.9300 . ?
C27 C28 1.377(3) . ?
C27 H27 0.9300 . ?
C28 C29 1.363(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.382(3) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C1_1 C6_1 1.379(9) . ?
C1_1 C2_1 1.392(8) . ?
C2_1 C3_1 1.385(9) . ?
C2_1 H2_1 0.9300 . ?
C3_1 C4_1 1.370(9) . ?
C3_1 H3_1 0.9300 . ?
C4_1 C5_1 1.369(8) . ?
C4_1 H4_1 0.9300 . ?
C5_1 C6_1 1.394(8) . ?
C5_1 H5_1 0.9300 . ?
C6_1 H6_1 0.9300 . ?
C1_2 C2_2 1.385(9) . ?
C1_2 C6_2 1.388(10) . ?
C2_2 C3_2 1.401(10) . ?
C2_2 H2_2 0.9300 . ?
C3_2 C4_2 1.363(10) . ?
C3_2 H3_2 0.9300 . ?
C4_2 C5_2 1.363(9) . ?
C4_2 H4_2 0.9300 . ?
C5_2 C6_2 1.379(10) . ?
C5_2 H5_2 0.9300 . ?
C6_2 H6_2 0.9300 . ?
P1_3 F4_3 1.593(11) . ?
P1_3 F2_3 1.596(11) . ?
P1_3 F5_3 1.597(10) . ?
P1_3 F6_3 1.602(10) . ?
P1_3 F3_3 1.604(10) . ?
P1_3 F1_3 1.607(10) . ?
P1_4 F5_4 1.591(11) . ?
P1_4 F4_4 1.594(12) . ?
P1_4 F3_4 1.597(12) . ?
P1_4 F2_4 1.600(12) . ?
P1_4 F6_4 1.604(11) . ?
P1_4 F1_4 1.604(12) . ?

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 Cu1 P1 125.71(2) 2_655 . ?
P1 Cu1 P2 122.083(14) 2_655 2_655 ?
P1 Cu1 P2 84.562(14) . 2_655 ?
P1 Cu1 P2 84.560(14) 2_655 . ?
P1 Cu1 P2 122.084(14) . . ?
P2 Cu1 P2 122.86(2) 2_655 . ?
C25 P1 C19 103.17(7) . . ?
C25 P1 C1 107.14(7) . . ?
C19 P1 C1 100.98(7) . . ?
C25 P1 Cu1 125.67(6) . . ?
C19 P1 Cu1 114.11(5) . . ?
C1 P1 Cu1 103.00(5) . . ?
C1_2 P2 C13 108.7(6) . . ?
C1_2 P2 C6 98.2(6) . 2_655 ?
C13 P2 C6 105.24(7) . 2_655 ?
C13 P2 C1_1 103.6(4) . . ?
C6 P2 C1_1 107.2(5) 2_655 . ?
C1_2 P2 Cu1 125.0(7) . . ?
C13 P2 Cu1 112.98(5) . . ?
C6 P2 Cu1 103.60(5) 2_655 . ?
C1_1 P2 Cu1 123.0(5) . . ?
C2 C1 C6 119.25(15) . . ?
C2 C1 P1 123.80(13) . . ?
C6 C1 P1 116.66(11) . . ?
C3 C2 C1 120.62(17) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.10(17) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 120.30(17) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.40(17) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 119.28(14) . . ?
C5 C6 P2 122.98(13) . 2_655 ?
C1 C6 P2 117.74(11) . 2_655 ?
C18 C13 C14 118.31(16) . . ?
C18 C13 P2 118.35(12) . . ?
C14 C13 P2 123.20(14) . . ?
C15 C14 C13 120.00(18) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.88(18) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 119.79(19) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 119.7(2) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 121.30(17) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C24 C19 C20 118.82(15) . . ?
C24 C19 P1 123.61(12) . . ?
C20 C19 P1 117.41(13) . . ?
C21 C20 C19 120.41(18) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.28(19) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 119.80(18) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.50(19) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 120.17(17) . . ?
C19 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C30 118.71(17) . . ?
C26 C25 P1 118.61(13) . . ?
C30 C25 P1 122.61(14) . . ?
C25 C26 C27 120.4(2) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 119.8(2) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C29 C28 C27 120.3(2) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 120.20(19) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C25 120.36(19) . . ?
C29 C30 H30 119.8 . . ?
C25 C30 H30 119.8 . . ?
C6_1 C1_1 C2_1 119.5(8) . . ?
C6_1 C1_1 P2 119.1(8) . . ?
C2_1 C1_1 P2 121.3(8) . . ?
C3_1 C2_1 C1_1 118.9(8) . . ?
C3_1 C2_1 H2_1 120.6 . . ?
C1_1 C2_1 H2_1 120.6 . . ?
C4_1 C3_1 C2_1 121.1(8) . . ?
C4_1 C3_1 H3_1 119.4 . . ?
C2_1 C3_1 H3_1 119.4 . . ?
C5_1 C4_1 C3_1 120.6(8) . . ?
C5_1 C4_1 H4_1 119.7 . . ?
C3_1 C4_1 H4_1 119.7 . . ?
C4_1 C5_1 C6_1 118.9(8) . . ?
C4_1 C5_1 H5_1 120.6 . . ?
C6_1 C5_1 H5_1 120.6 . . ?
C1_1 C6_1 C5_1 121.0(7) . . ?
C1_1 C6_1 H6_1 119.5 . . ?
C5_1 C6_1 H6_1 119.5 . . ?
C2_2 C1_2 C6_2 118.4(10) . . ?
C2_2 C1_2 P2 119.4(10) . . ?
C6_2 C1_2 P2 121.0(10) . . ?
C1_2 C2_2 C3_2 121.2(10) . . ?
C1_2 C2_2 H2_2 119.4 . . ?
C3_2 C2_2 H2_2 119.4 . . ?
C4_2 C3_2 C2_2 118.3(9) . . ?
C4_2 C3_2 H3_2 120.8 . . ?
C2_2 C3_2 H3_2 120.8 . . ?
C5_2 C4_2 C3_2 121.4(9) . . ?
C5_2 C4_2 H4_2 119.3 . . ?
C3_2 C4_2 H4_2 119.3 . . ?
C4_2 C5_2 C6_2 120.4(10) . . ?
C4_2 C5_2 H5_2 119.8 . . ?
C6_2 C5_2 H5_2 119.8 . . ?
C5_2 C6_2 C1_2 120.1(9) . . ?
C5_2 C6_2 H6_2 120.0 . . ?
C1_2 C6_2 H6_2 120.0 . . ?
F4_3 P1_3 F2_3 174(3) . . ?
F4_3 P1_3 F5_3 90.5(18) . . ?
F2_3 P1_3 F5_3 95.2(16) . . ?
F4_3 P1_3 F6_3 86.3(18) . . ?
F2_3 P1_3 F6_3 88.0(16) . . ?
F5_3 P1_3 F6_3 176.7(15) . . ?
F4_3 P1_3 F3_3 90.4(11) . . ?
F2_3 P1_3 F3_3 89.8(10) . . ?
F5_3 P1_3 F3_3 90.8(5) . . ?
F6_3 P1_3 F3_3 89.3(9) . . ?
F4_3 P1_3 F1_3 89.5(10) . . ?
F2_3 P1_3 F1_3 90.2(10) . . ?
F5_3 P1_3 F1_3 89.7(9) . . ?
F6_3 P1_3 F1_3 90.2(5) . . ?
F3_3 P1_3 F1_3 179.5(10) . . ?
F5_4 P1_4 F4_4 91(2) . . ?
F5_4 P1_4 F3_4 89.4(9) . . ?
F4_4 P1_4 F3_4 89.9(12) . . ?
F5_4 P1_4 F2_4 95.5(19) . . ?
F4_4 P1_4 F2_4 173(3) . . ?
F3_4 P1_4 F2_4 89.8(10) . . ?
F5_4 P1_4 F6_4 177.4(18) . . ?
F4_4 P1_4 F6_4 86(2) . . ?
F3_4 P1_4 F6_4 90.8(7) . . ?
F2_4 P1_4 F6_4 87.2(17) . . ?
F5_4 P1_4 F1_4 89.7(10) . . ?
F4_4 P1_4 F1_4 90.1(13) . . ?
F3_4 P1_4 F1_4 179.1(11) . . ?
F2_4 P1_4 F1_4 90.3(11) . . ?
F6_4 P1_4 F1_4 90.1(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C25 P1 C1 C2 -20.00(16) . . . . ?
C19 P1 C1 C2 87.62(15) . . . . ?
Cu1 P1 C1 C2 -154.22(13) . . . . ?
C25 P1 C1 C6 166.26(12) . . . . ?
C19 P1 C1 C6 -86.11(12) . . . . ?
Cu1 P1 C1 C6 32.04(12) . . . . ?
C6 C1 C2 C3 1.2(3) . . . . ?
P1 C1 C2 C3 -172.35(14) . . . . ?
C1 C2 C3 C4 0.8(3) . . . . ?
C2 C3 C4 C5 -1.5(3) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 C1 1.9(3) . . . . ?
C4 C5 C6 P2 -177.98(15) . . . 2_655 ?
C2 C1 C6 C5 -2.5(2) . . . . ?
P1 C1 C6 C5 171.50(13) . . . . ?
C2 C1 C6 P2 177.33(12) . . . 2_655 ?
P1 C1 C6 P2 -8.63(16) . . . 2_655 ?
C1_2 P2 C13 C18 134.5(7) . . . . ?
C6 P2 C13 C18 -121.18(14) 2_655 . . . ?
C1_1 P2 C13 C18 126.5(5) . . . . ?
Cu1 P2 C13 C18 -8.83(15) . . . . ?
C1_2 P2 C13 C14 -49.9(7) . . . . ?
C6 P2 C13 C14 54.43(16) 2_655 . . . ?
C1_1 P2 C13 C14 -57.9(5) . . . . ?
Cu1 P2 C13 C14 166.78(13) . . . . ?
C18 C13 C14 C15 -0.6(3) . . . . ?
P2 C13 C14 C15 -176.19(16) . . . . ?
C13 C14 C15 C16 0.5(3) . . . . ?
C14 C15 C16 C17 0.1(4) . . . . ?
C15 C16 C17 C18 -0.6(4) . . . . ?
C16 C17 C18 C13 0.5(3) . . . . ?
C14 C13 C18 C17 0.1(3) . . . . ?
P2 C13 C18 C17 175.91(16) . . . . ?
C25 P1 C19 C24 114.11(14) . . . . ?
C1 P1 C19 C24 3.39(15) . . . . ?
Cu1 P1 C19 C24 -106.36(13) . . . . ?
C25 P1 C19 C20 -70.46(15) . . . . ?
C1 P1 C19 C20 178.82(13) . . . . ?
Cu1 P1 C19 C20 69.08(14) . . . . ?
C24 C19 C20 C21 1.4(3) . . . . ?
P1 C19 C20 C21 -174.28(15) . . . . ?
C19 C20 C21 C22 -0.5(3) . . . . ?
C20 C21 C22 C23 -0.9(3) . . . . ?
C21 C22 C23 C24 1.4(3) . . . . ?
C20 C19 C24 C23 -0.9(3) . . . . ?
P1 C19 C24 C23 174.44(14) . . . . ?
C22 C23 C24 C19 -0.4(3) . . . . ?
C19 P1 C25 C26 141.29(16) . . . . ?
C1 P1 C25 C26 -112.63(16) . . . . ?
Cu1 P1 C25 C26 8.11(18) . . . . ?
C19 P1 C25 C30 -35.48(17) . . . . ?
C1 P1 C25 C30 70.59(16) . . . . ?
Cu1 P1 C25 C30 -168.67(13) . . . . ?
C30 C25 C26 C27 -4.2(3) . . . . ?
P1 C25 C26 C27 178.89(19) . . . . ?
C25 C26 C27 C28 1.3(4) . . . . ?
C26 C27 C28 C29 1.9(4) . . . . ?
C27 C28 C29 C30 -2.1(4) . . . . ?
C28 C29 C30 C25 -0.9(3) . . . . ?
C26 C25 C30 C29 4.0(3) . . . . ?
P1 C25 C30 C29 -179.24(15) . . . . ?
C13 P2 C1_1 C6_1 153.4(11) . . . . ?
C6 P2 C1_1 C6_1 42.4(13) 2_655 . . . ?
Cu1 P2 C1_1 C6_1 -77.2(13) . . . . ?
C13 P2 C1_1 C2_1 -29.5(10) . . . . ?
C6 P2 C1_1 C2_1 -140.5(8) 2_655 . . . ?
Cu1 P2 C1_1 C2_1 99.9(9) . . . . ?
C6_1 C1_1 C2_1 C3_1 0.7(12) . . . . ?
P2 C1_1 C2_1 C3_1 -176.4(12) . . . . ?
C1_1 C2_1 C3_1 C4_1 0.6(12) . . . . ?
C2_1 C3_1 C4_1 C5_1 -2.4(18) . . . . ?
C3_1 C4_1 C5_1 C6_1 3(2) . . . . ?
C2_1 C1_1 C6_1 C5_1 0(2) . . . . ?
P2 C1_1 C6_1 C5_1 176.8(13) . . . . ?
C4_1 C5_1 C6_1 C1_1 -1(2) . . . . ?
C13 P2 C1_2 C2_2 -34.6(13) . . . . ?
C6 P2 C1_2 C2_2 -143.8(11) 2_655 . . . ?
Cu1 P2 C1_2 C2_2 103.2(12) . . . . ?
C13 P2 C1_2 C6_2 158.0(14) . . . . ?
C6 P2 C1_2 C6_2 48.8(16) 2_655 . . . ?
Cu1 P2 C1_2 C6_2 -64.3(17) . . . . ?
C6_2 C1_2 C2_2 C3_2 -1.8(15) . . . . ?
P2 C1_2 C2_2 C3_2 -169.5(15) . . . . ?
C1_2 C2_2 C3_2 C4_2 -1.4(15) . . . . ?
C2_2 C3_2 C4_2 C5_2 3(2) . . . . ?
C3_2 C4_2 C5_2 C6_2 -1(3) . . . . ?
C4_2 C5_2 C6_2 C1_2 -2(3) . . . . ?
C2_2 C1_2 C6_2 C5_2 3(2) . . . . ?
P2 C1_2 C6_2 C5_2 171.0(16) . . . . ?

####################################################################### 
# 
# 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_ag20_sq
_database_code_depnum_ccdc_archive 'CCDC 2425241'
loop_
_audit_author_name
_audit_author_address
'Thomas Pickl'
;Technical University of Munich
Germany
;

_audit_update_record             
;
2026-02-23 deposited with the CCDC.	2026-02-24 downloaded from the CCDC.
;

_audit_creation_method           
;FinalCif V154 by Daniel Kratzert, Freiburg 2026, 
https://dkratzert.de/finalcif.html
;

loop_
_publ_author_phone
''
''
''
''
''
''
''
''
''
''
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C57 H45 Ag Cl3 F6 N4 P5'
_chemical_formula_moiety         ?
_chemical_formula_weight         1269.04
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.6263(4)
_cell_length_b                   18.9307(6)
_cell_length_c                   24.8789(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.952(2)
_cell_angle_gamma                90
_cell_volume                     5943.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    685
_cell_measurement_theta_min      0.985
_cell_measurement_theta_max      25.878
_cell_measurement_wavelength     0.71073
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_correction_T_min  0.7513
_exptl_absorpt_correction_T_max  0.8657
_exptl_absorpt_process_details   
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Quadratic fit to sin(theta)/lambda - 18 parameters
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.878
_shelx_estimated_absorpt_T_max   0.936
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   ?
_diffrn_source_type              'sealed x-ray tube'
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_detector                 ?
_diffrn_detector_type            'APEX-II CCD'
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_measurement_specimen_support ?
_diffrn_reflns_number            11478
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_av_R_equivalents  0.113
_diffrn_reflns_theta_min         2.302
_diffrn_reflns_theta_max         25.863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_standards_number         0
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11478
_reflns_number_gt                9489
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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.
;
_computing_data_collection       'Bruker APEX2 software'
_computing_cell_refinement       'SAINT V8.40A integration software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_refine_special_details          SQUEEZE,SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0980P)²+19.9478P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   dual
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         11478
_refine_ls_number_parameters     1125
_refine_ls_number_restraints     6392
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0650
_refine_ls_wR_factor_ref         0.1841
_refine_ls_wR_factor_gt          0.1729
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.722
_refine_diff_density_min         -2.236
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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

_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.
;
_exptl_absorpt_Rmerge_after      0.1076
_exptl_absorpt_Rmerge_before     0.1055
_exptl_absorpt_correction_T_ave  0.8309
_exptl_absorpt_factor_muR        0.667
_diffrn_orient_matrix_ub_23      -0.030605
_diffrn_orient_matrix_ub_22      -0.058334
_diffrn_orient_matrix_ub_21      -0.016674
_diffrn_orient_matrix_ub_13      -0.079761
_diffrn_orient_matrix_ub_12      0.024846
_diffrn_orient_matrix_ub_11      -0.017866
_platon_squeeze_void_probe_radius 1.20

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7119(4) 0.9067(2) 0.4148(2) 0.0303(10) Uani 1 1 d . . . . .
C2 C 0.7699(4) 0.9002(3) 0.3683(2) 0.0314(11) Uani 1 1 d . . . . .
C3 C 0.8203(6) 1.0156(3) 0.3777(3) 0.0542(17) Uani 1 1 d . . . . .
H3 H 0.859967 1.055216 0.366269 0.065 Uiso 1 1 calc R U . . .
C4 C 0.7598(6) 1.0229(3) 0.4219(3) 0.0506(16) Uani 1 1 d . . . . .
H4 H 0.756024 1.067666 0.439016 0.061 Uiso 1 1 calc R U . . .
C17 C 0.6650(4) 0.8364(3) 0.27748(19) 0.0287(10) Uani 1 1 d . . . . .
C18 C 0.6502(5) 0.9035(3) 0.2551(2) 0.0398(12) Uani 1 1 d . . . . .
H18 H 0.694219 0.941567 0.266781 0.048 Uiso 1 1 calc R U . . .
C19 C 0.5716(5) 0.9144(3) 0.2161(2) 0.0479(15) Uani 1 1 d . . . . .
H19 H 0.561735 0.960200 0.201128 0.057 Uiso 1 1 calc R U . . .
C20 C 0.5077(5) 0.8602(4) 0.1989(2) 0.0494(15) Uani 1 1 d . . . . .
H20 H 0.453677 0.868567 0.172151 0.059 Uiso 1 1 calc R U . . .
C21 C 0.5211(5) 0.7933(4) 0.2200(2) 0.0479(15) Uani 1 1 d . . . . .
H21 H 0.477085 0.755610 0.207612 0.057 Uiso 1 1 calc R U . . .
C22 C 0.6001(5) 0.7815(3) 0.2598(2) 0.0388(13) Uani 1 1 d . . . . .
H22 H 0.609252 0.735652 0.274835 0.047 Uiso 1 1 calc R U . . .
C29 C 0.8032(4) 0.5604(2) 0.40809(19) 0.0249(9) Uani 1 1 d . . . . .
C30 C 0.7059(4) 0.5491(2) 0.38104(19) 0.0253(9) Uani 1 1 d . . . . .
C31 C 0.7522(4) 0.4346(3) 0.3661(2) 0.0393(13) Uani 1 1 d . . . . .
H31 H 0.737176 0.389216 0.351417 0.047 Uiso 1 1 calc R U . . .
C32 C 0.8494(4) 0.4462(3) 0.3929(3) 0.0416(13) Uani 1 1 d . . . . .
H32 H 0.898583 0.408295 0.396083 0.050 Uiso 1 1 calc R U . . .
C33 C 0.5107(4) 0.5979(3) 0.42454(19) 0.0265(10) Uani 1 1 d . . . . .
C34 C 0.4919(4) 0.6464(3) 0.4654(2) 0.0328(11) Uani 1 1 d . . . . .
H34 H 0.529227 0.690034 0.466777 0.039 Uiso 1 1 calc R U . . .
C35 C 0.4187(5) 0.6309(4) 0.5040(2) 0.0470(14) Uani 1 1 d . . . . .
H35 H 0.406547 0.663358 0.532247 0.056 Uiso 1 1 calc R U . . .
C36 C 0.3643(5) 0.5686(4) 0.5012(2) 0.0492(16) Uani 1 1 d . . . . .
H36 H 0.312413 0.558886 0.526956 0.059 Uiso 1 1 calc R U . . .
C37 C 0.3828(4) 0.5197(3) 0.4620(3) 0.0456(15) Uani 1 1 d . . . . .
H37 H 0.345228 0.476200 0.461202 0.055 Uiso 1 1 calc R U . . .
C38 C 0.4569(4) 0.5341(3) 0.4232(2) 0.0333(11) Uani 1 1 d . . . . .
H38 H 0.470408 0.500433 0.395959 0.040 Uiso 1 1 calc R U . . .
C45 C 0.8242(4) 0.6238(3) 0.51129(18) 0.0263(10) Uani 1 1 d . . . . .
C46 C 0.7538(4) 0.6614(3) 0.5422(2) 0.0365(12) Uani 1 1 d . . . . .
H46 H 0.714607 0.699357 0.526399 0.044 Uiso 1 1 calc R U . . .
C47 C 0.7400(5) 0.6442(3) 0.5957(2) 0.0462(14) Uani 1 1 d . . . . .
H47 H 0.691374 0.669965 0.616405 0.055 Uiso 1 1 calc R U . . .
C48 C 0.7975(5) 0.5892(3) 0.6185(2) 0.0459(14) Uani 1 1 d . . . . .
H48 H 0.788314 0.577133 0.655106 0.055 Uiso 1 1 calc R U . . .
C49 C 0.8683(5) 0.5518(3) 0.5886(2) 0.0436(14) Uani 1 1 d . . . . .
H49 H 0.907992 0.514339 0.604731 0.052 Uiso 1 1 calc R U . . .
C50 C 0.8817(4) 0.5686(3) 0.5351(2) 0.0356(12) Uani 1 1 d . . . . .
H50 H 0.930274 0.542379 0.514646 0.043 Uiso 1 1 calc R U . . .
N1 N 0.7056(4) 0.9686(2) 0.44170(19) 0.0410(11) Uani 1 1 d . . . . .
N2 N 0.8264(4) 0.9559(2) 0.3500(2) 0.0445(12) Uani 1 1 d . . . . .
N3 N 0.8754(3) 0.5081(2) 0.4141(2) 0.0359(10) Uani 1 1 d . . . . .
N4 N 0.6802(3) 0.4852(2) 0.36055(18) 0.0331(9) Uani 1 1 d . . . . .
P1 P 0.63349(10) 0.83294(6) 0.44003(5) 0.0284(3) Uani 1 1 d D . . . .
P2 P 0.76649(10) 0.81750(6) 0.32915(5) 0.0266(3) Uani 1 1 d D . . . .
P3 P 0.83651(9) 0.64600(6) 0.44056(5) 0.0236(3) Uani 1 1 d D . . . .
P4 P 0.60688(9) 0.62044(6) 0.37423(5) 0.0222(2) Uani 1 1 d D . . . .
Ag1 Ag 0.71043(3) 0.72860(2) 0.39541(2) 0.02377(13) Uani 1 1 d . . . . .
C1_1 C 0.0197(18) 0.0237(11) 0.2765(11) 0.057(8) Uani 0.251(3) 1 d D U P A 3
H1_1 H -0.026088 -0.001599 0.302277 0.068 Uiso 0.251(3) 1 calc R U P A 3
Cl1_1 Cl 0.1495(12) 0.0110(9) 0.2994(10) 0.115(5) Uani 0.251(3) 1 d D U P A 3
Cl2_1 Cl -0.0086(19) -0.0126(9) 0.2138(7) 0.091(5) Uani 0.251(3) 1 d D U P A 3
Cl3_1 Cl -0.0158(14) 0.1119(6) 0.2790(6) 0.063(3) Uani 0.251(3) 1 d D U P A 3
C1_2 C 0.0142(15) 0.0042(16) 0.2725(8) 0.071(9) Uani 0.219(3) 1 d D U P B 4
H1_2 H -0.012140 -0.041831 0.286428 0.085 Uiso 0.219(3) 1 calc R U P B 4
Cl1_2 Cl 0.1121(15) -0.0133(9) 0.2278(9) 0.098(5) Uani 0.219(3) 1 d D U P B 4
Cl2_2 Cl -0.0908(10) 0.0475(11) 0.2418(6) 0.095(4) Uani 0.219(3) 1 d D U P B 4
Cl3_2 Cl 0.0713(15) 0.0502(13) 0.3255(7) 0.129(7) Uani 0.219(3) 1 d D U P B 4
C1_3 C 0.064(3) 0.0547(17) 0.2615(9) 0.088(10) Uani 0.138(3) 1 d D U P C 5
H1_3 H 0.118707 0.089753 0.250706 0.105 Uiso 0.138(3) 1 calc R U P C 5
Cl1_3 Cl 0.105(3) 0.0240(14) 0.3240(8) 0.095(7) Uani 0.138(3) 1 d D U P C 5
Cl2_3 Cl -0.054(2) 0.1000(16) 0.2623(9) 0.087(7) Uani 0.138(3) 1 d D U P C 5
Cl3_3 Cl 0.063(2) -0.0111(11) 0.2131(6) 0.061(4) Uani 0.138(3) 1 d D U P C 5
C1_4 C 0.0230(11) 0.0197(9) 0.2733(7) 0.056(6) Uani 0.392(3) 1 d D U P D 6
H1_4 H -0.002036 -0.006677 0.305323 0.068 Uiso 0.392(3) 1 calc R U P D 6
Cl1_4 Cl 0.0222(11) 0.1086(7) 0.2886(6) 0.111(5) Uani 0.392(3) 1 d D U P D 6
Cl2_4 Cl 0.1535(7) -0.0046(6) 0.2636(5) 0.107(3) Uani 0.392(3) 1 d D U P D 6
Cl3_4 Cl -0.0611(10) -0.0004(7) 0.2195(5) 0.103(4) Uani 0.392(3) 1 d D U P D 6
P1_5 P 0.7393(9) 0.2313(6) 0.3833(4) 0.176(3) Uiso 0.396(3) 1 d D U P E 1
F1_5 F 0.7506(16) 0.1885(9) 0.4397(6) 0.172(4) Uiso 0.396(3) 1 d D U P E 1
F2_5 F 0.8473(11) 0.2765(9) 0.3971(8) 0.168(4) Uiso 0.396(3) 1 d D U P E 1
F3_5 F 0.7237(14) 0.2728(9) 0.3258(5) 0.175(4) Uiso 0.396(3) 1 d D U P E 1
F4_5 F 0.6314(12) 0.1855(9) 0.3694(8) 0.183(4) Uiso 0.396(3) 1 d D U P E 1
F5_5 F 0.8100(14) 0.1708(8) 0.3535(7) 0.172(4) Uiso 0.396(3) 1 d D U P E 1
F6_5 F 0.6683(14) 0.2918(8) 0.4121(7) 0.179(4) Uiso 0.396(3) 1 d D U P E 1
P1_6 P 0.7938(5) 0.2216(4) 0.3859(3) 0.0642(18) Uiso 0.268(3) 1 d D U P F 2
F1_6 F 0.7521(10) 0.1571(6) 0.3488(4) 0.071(2) Uiso 0.268(3) 1 d D U P F 2
F2_6 F 0.8824(8) 0.1740(6) 0.4166(4) 0.064(2) Uiso 0.268(3) 1 d D U P F 2
F3_6 F 0.8283(9) 0.2926(5) 0.4168(5) 0.071(2) Uiso 0.268(3) 1 d D U P F 2
F4_6 F 0.7018(8) 0.2639(6) 0.3502(4) 0.062(2) Uiso 0.268(3) 1 d D U P F 2
F5_6 F 0.8801(8) 0.2412(6) 0.3387(4) 0.081(2) Uiso 0.268(3) 1 d D U P F 2
F6_6 F 0.7071(8) 0.2028(6) 0.4317(4) 0.051(2) Uiso 0.268(3) 1 d D U P F 2
P1_7 P 0.7666(6) 0.2239(4) 0.3974(3) 0.0482(18) Uiso 0.220(3) 1 d D U P G 3
F1_7 F 0.8496(8) 0.1726(6) 0.4299(5) 0.052(2) Uiso 0.220(3) 1 d D U P G 3
F2_7 F 0.7387(10) 0.2651(6) 0.4534(4) 0.064(2) Uiso 0.220(3) 1 d D U P G 3
F3_7 F 0.6812(8) 0.2742(6) 0.3642(5) 0.049(2) Uiso 0.220(3) 1 d D U P G 3
F4_7 F 0.7922(10) 0.1818(6) 0.3422(4) 0.044(2) Uiso 0.220(3) 1 d D U P G 3
F5_7 F 0.8607(8) 0.2812(5) 0.3879(5) 0.036(2) Uiso 0.220(3) 1 d D U P G 3
F6_7 F 0.6704(8) 0.1677(6) 0.4090(5) 0.061(2) Uiso 0.220(3) 1 d D U P G 3
C1_8 C 0.6365(15) 0.8405(16) 0.5129(4) 0.038(4) Uani 0.52(4) 1 d D U P H 1
C2_8 C 0.7314(16) 0.8526(13) 0.5404(5) 0.047(4) Uani 0.52(4) 1 d D U P H 1
H2_8 H 0.792202 0.865234 0.521137 0.056 Uiso 0.52(4) 1 calc R U P H 1
C3_8 C 0.739(2) 0.8464(10) 0.5964(6) 0.054(4) Uani 0.52(4) 1 d D U P H 1
H3_8 H 0.804255 0.854703 0.615567 0.065 Uiso 0.52(4) 1 calc R U P H 1
C4_8 C 0.649(2) 0.8281(10) 0.6231(6) 0.056(4) Uani 0.52(4) 1 d D U P H 1
H4_8 H 0.652862 0.824513 0.661208 0.067 Uiso 0.52(4) 1 calc R U P H 1
C5_8 C 0.554(2) 0.8147(12) 0.5961(6) 0.062(4) Uani 0.52(4) 1 d D U P H 1
H5_8 H 0.494442 0.800343 0.615507 0.075 Uiso 0.52(4) 1 calc R U P H 1
C6_8 C 0.5460(17) 0.8221(15) 0.5406(6) 0.052(4) Uani 0.52(4) 1 d D U P H 1
H6_8 H 0.480119 0.814851 0.521858 0.062 Uiso 0.52(4) 1 calc R U P H 1
C1_9 C 0.6560(15) 0.8416(18) 0.5123(4) 0.036(4) Uani 0.48(4) 1 d D U P H 2
C2_9 C 0.7584(16) 0.8533(15) 0.5323(6) 0.043(4) Uani 0.48(4) 1 d D U P H 2
H2_9 H 0.814164 0.862735 0.508648 0.052 Uiso 0.48(4) 1 calc R U P H 2
C3_9 C 0.778(2) 0.8509(12) 0.5878(6) 0.053(4) Uani 0.48(4) 1 d D U P H 2
H3_9 H 0.847921 0.858723 0.601856 0.064 Uiso 0.48(4) 1 calc R U P H 2
C4_9 C 0.698(2) 0.8373(11) 0.6225(6) 0.052(4) Uani 0.48(4) 1 d D U P H 2
H4_9 H 0.712231 0.836781 0.660188 0.063 Uiso 0.48(4) 1 calc R U P H 2
C5_9 C 0.596(2) 0.8246(11) 0.6028(6) 0.052(4) Uani 0.48(4) 1 d D U P H 2
H5_9 H 0.540468 0.814027 0.626479 0.062 Uiso 0.48(4) 1 calc R U P H 2
C6_9 C 0.5760(18) 0.8275(15) 0.5474(5) 0.043(4) Uani 0.48(4) 1 d D U P H 2
H6_9 H 0.506023 0.819618 0.533384 0.051 Uiso 0.48(4) 1 calc R U P H 2
C1_10 C 0.9786(9) 0.6554(14) 0.4324(7) 0.031(4) Uani 0.49(7) 1 d D U P I 1
C2_10 C 1.0399(12) 0.6923(19) 0.4707(7) 0.042(4) Uani 0.49(7) 1 d D U P I 1
H2_10 H 1.009567 0.708214 0.502960 0.051 Uiso 0.49(7) 1 calc R U P I 1
C3_10 C 1.1457(14) 0.705(2) 0.4612(9) 0.053(5) Uani 0.49(7) 1 d D U P I 1
H3_10 H 1.187757 0.729948 0.487532 0.064 Uiso 0.49(7) 1 calc R U P I 1
C4_10 C 1.1908(15) 0.6841(18) 0.4147(10) 0.053(5) Uani 0.49(7) 1 d D U P I 1
H4_10 H 1.262724 0.694989 0.408430 0.064 Uiso 0.49(7) 1 calc R U P I 1
C5_10 C 1.1309(14) 0.6464(18) 0.3769(10) 0.050(5) Uani 0.49(7) 1 d D U P I 1
H5_10 H 1.162589 0.628841 0.345508 0.059 Uiso 0.49(7) 1 calc R U P I 1
C6_10 C 1.0244(12) 0.6345(18) 0.3851(9) 0.037(5) Uani 0.49(7) 1 d D U P I 1
H6_10 H 0.982165 0.611612 0.358015 0.045 Uiso 0.49(7) 1 calc R U P I 1
C1_11 C 0.9785(8) 0.6530(13) 0.4303(6) 0.029(4) Uani 0.51(7) 1 d D U P I 2
C2_11 C 1.0480(9) 0.6701(16) 0.4728(6) 0.037(4) Uani 0.51(7) 1 d D U P I 2
H2_11 H 1.022130 0.675448 0.507997 0.044 Uiso 0.51(7) 1 calc R U P I 2
C3_11 C 1.1555(11) 0.6795(18) 0.4640(7) 0.045(4) Uani 0.51(7) 1 d D U P I 2
H3_11 H 1.202965 0.692157 0.492879 0.054 Uiso 0.51(7) 1 calc R U P I 2
C4_11 C 1.1921(13) 0.6702(17) 0.4130(8) 0.049(4) Uani 0.51(7) 1 d D U P I 2
H4_11 H 1.265936 0.672956 0.407278 0.059 Uiso 0.51(7) 1 calc R U P I 2
C5_11 C 1.1227(12) 0.6569(17) 0.3700(8) 0.046(4) Uani 0.51(7) 1 d D U P I 2
H5_11 H 1.147921 0.654769 0.334528 0.055 Uiso 0.51(7) 1 calc R U P I 2
C6_11 C 1.0167(12) 0.6467(17) 0.3790(7) 0.037(4) Uani 0.51(7) 1 d D U P I 2
H6_11 H 0.969443 0.635207 0.349742 0.044 Uiso 0.51(7) 1 calc R U P I 2
C1_12 C 0.8960(11) 0.815(2) 0.2987(8) 0.040(5) Uani 0.46(5) 1 d D U P J 1
C2_12 C 0.9855(9) 0.8152(19) 0.3320(11) 0.053(5) Uani 0.46(5) 1 d D U P J 1
H2_12 H 0.979075 0.819089 0.369831 0.063 Uiso 0.46(5) 1 calc R U P J 1
C3_12 C 1.0839(12) 0.8095(14) 0.3106(13) 0.059(5) Uani 0.46(5) 1 d D U P J 1
H3_12 H 1.145652 0.810539 0.333485 0.070 Uiso 0.46(5) 1 calc R U P J 1
C4_12 C 1.0927(16) 0.8021(13) 0.2559(14) 0.054(5) Uani 0.46(5) 1 d D U P J 1
H4_12 H 1.161065 0.797549 0.241491 0.065 Uiso 0.46(5) 1 calc R U P J 1
C5_12 C 1.005(2) 0.8013(14) 0.2215(10) 0.051(4) Uani 0.46(5) 1 d D U P J 1
H5_12 H 1.011786 0.795659 0.183826 0.062 Uiso 0.46(5) 1 calc R U P J 1
C6_12 C 0.9057(17) 0.809(2) 0.2439(8) 0.048(5) Uani 0.46(5) 1 d D U P J 1
H6_12 H 0.843915 0.810154 0.220990 0.058 Uiso 0.46(5) 1 calc R U P J 1
C1_13 C 0.8874(9) 0.8154(18) 0.2907(6) 0.028(3) Uani 0.54(5) 1 d D U P J 2
C2_13 C 0.9846(8) 0.8161(15) 0.3179(9) 0.051(4) Uani 0.54(5) 1 d D U P J 2
H2_13 H 0.987982 0.822251 0.355817 0.061 Uiso 0.54(5) 1 calc R U P J 2
C3_13 C 1.0772(9) 0.8080(11) 0.2901(11) 0.053(4) Uani 0.54(5) 1 d D U P J 2
H3_13 H 1.143870 0.808724 0.309047 0.064 Uiso 0.54(5) 1 calc R U P J 2
C4_13 C 1.0726(14) 0.7989(9) 0.2352(10) 0.046(4) Uani 0.54(5) 1 d D U P J 2
H4_13 H 1.136278 0.794152 0.216255 0.055 Uiso 0.54(5) 1 calc R U P J 2
C5_13 C 0.9762(17) 0.7966(11) 0.2076(8) 0.043(4) Uani 0.54(5) 1 d D U P J 2
H5_13 H 0.973183 0.789387 0.169752 0.052 Uiso 0.54(5) 1 calc R U P J 2
C6_13 C 0.8833(14) 0.8051(16) 0.2355(6) 0.039(3) Uani 0.54(5) 1 d D U P J 2
H6_13 H 0.816653 0.803770 0.216591 0.047 Uiso 0.54(5) 1 calc R U P J 2
C1_14 C 0.5022(8) 0.8645(8) 0.4196(7) 0.043(3) Uani 0.77(3) 1 d D U P H 1
C2_14 C 0.4581(9) 0.9241(8) 0.4425(7) 0.061(4) Uani 0.77(3) 1 d D U P H 1
H2_14 H 0.492891 0.946126 0.472546 0.073 Uiso 0.77(3) 1 calc R U P H 1
C3_14 C 0.3637(10) 0.9517(8) 0.4219(6) 0.080(4) Uani 0.77(3) 1 d D U P H 1
H3_14 H 0.332782 0.991797 0.438168 0.096 Uiso 0.77(3) 1 calc R U P H 1
C4_14 C 0.3153(11) 0.9209(10) 0.3778(7) 0.090(4) Uani 0.77(3) 1 d D U P H 1
H4_14 H 0.250157 0.939559 0.363841 0.109 Uiso 0.77(3) 1 calc R U P H 1
C5_14 C 0.3596(9) 0.8629(9) 0.3531(6) 0.078(4) Uani 0.77(3) 1 d D U P H 1
H5_14 H 0.326033 0.842826 0.321908 0.094 Uiso 0.77(3) 1 calc R U P H 1
C6_14 C 0.4528(7) 0.8345(8) 0.3741(5) 0.057(3) Uani 0.77(3) 1 d D U P H 1
H6_14 H 0.483263 0.794500 0.357535 0.068 Uiso 0.77(3) 1 calc R U P H 1
C1_15 C 0.497(2) 0.858(3) 0.423(3) 0.048(8) Uani 0.23(3) 1 d D U P H 2
C2_15 C 0.452(2) 0.916(3) 0.448(2) 0.058(8) Uani 0.23(3) 1 d D U P H 2
H2_15 H 0.491580 0.942421 0.474070 0.070 Uiso 0.23(3) 1 calc R U P H 2
C3_15 C 0.347(2) 0.934(2) 0.4356(19) 0.064(8) Uani 0.23(3) 1 d D U P H 2
H3_15 H 0.314726 0.972322 0.452749 0.077 Uiso 0.23(3) 1 calc R U P H 2
C4_15 C 0.291(2) 0.894(2) 0.398(2) 0.067(8) Uani 0.23(3) 1 d D U P H 2
H4_15 H 0.219816 0.906195 0.388667 0.080 Uiso 0.23(3) 1 calc R U P H 2
C5_15 C 0.337(2) 0.837(2) 0.372(2) 0.062(8) Uani 0.23(3) 1 d D U P H 2
H5_15 H 0.298592 0.812008 0.344794 0.074 Uiso 0.23(3) 1 calc R U P H 2
C6_15 C 0.4394(19) 0.818(2) 0.3862(18) 0.053(8) Uani 0.23(3) 1 d D U P H 2
H6_15 H 0.470210 0.777499 0.370595 0.064 Uiso 0.23(3) 1 calc R U P H 2
C1_16 C 0.5446(18) 0.600(2) 0.3088(8) 0.027(4) Uani 0.44(6) 1 d D U P K 1
C2_16 C 0.4387(16) 0.6157(18) 0.2989(9) 0.036(4) Uani 0.44(6) 1 d D U P K 1
H2_16 H 0.397851 0.633213 0.327411 0.043 Uiso 0.44(6) 1 calc R U P K 1
C3_16 C 0.390(2) 0.6063(15) 0.2480(10) 0.036(4) Uani 0.44(6) 1 d D U P K 1
H3_16 H 0.318056 0.618054 0.241348 0.044 Uiso 0.44(6) 1 calc R U P K 1
C4_16 C 0.451(3) 0.5795(15) 0.2078(7) 0.036(4) Uani 0.44(6) 1 d D U P K 1
H4_16 H 0.418859 0.571076 0.173288 0.043 Uiso 0.44(6) 1 calc R U P K 1
C5_16 C 0.557(3) 0.5646(15) 0.2167(6) 0.036(4) Uani 0.44(6) 1 d D U P K 1
H5_16 H 0.597642 0.547365 0.188105 0.043 Uiso 0.44(6) 1 calc R U P K 1
C6_16 C 0.604(2) 0.575(2) 0.2670(7) 0.033(4) Uani 0.44(6) 1 d D U P K 1
H6_16 H 0.676925 0.564338 0.272996 0.040 Uiso 0.44(6) 1 calc R U P K 1
C1_17 C 0.5318(13) 0.6035(19) 0.3114(6) 0.026(3) Uani 0.56(6) 1 d D U P K 2
C2_17 C 0.4266(11) 0.6247(16) 0.3074(7) 0.035(3) Uani 0.56(6) 1 d D U P K 2
H2_17 H 0.393086 0.642816 0.338105 0.042 Uiso 0.56(6) 1 calc R U P K 2
C3_17 C 0.3703(15) 0.6197(13) 0.2586(8) 0.039(4) Uani 0.56(6) 1 d D U P K 2
H3_17 H 0.298613 0.635017 0.255938 0.047 Uiso 0.56(6) 1 calc R U P K 2
C4_17 C 0.418(2) 0.5925(11) 0.2138(7) 0.034(4) Uani 0.56(6) 1 d D U P K 2
H4_17 H 0.378826 0.588503 0.180690 0.041 Uiso 0.56(6) 1 calc R U P K 2
C5_17 C 0.522(2) 0.5711(11) 0.2172(5) 0.033(3) Uani 0.56(6) 1 d D U P K 2
H5_17 H 0.554603 0.551924 0.186598 0.040 Uiso 0.56(6) 1 calc R U P K 2
C6_17 C 0.5796(18) 0.5778(16) 0.2660(5) 0.033(3) Uani 0.56(6) 1 d D U P K 2
H6_17 H 0.652266 0.564653 0.267987 0.040 Uiso 0.56(6) 1 calc R U P K 2
P1_18 P 0.7694(7) 0.2203(4) 0.3869(3) 0.017(2) Uiso 0.117(3) 1 d D U P L 4
F1_18 F 0.8680(10) 0.1649(7) 0.3951(6) 0.024(3) Uiso 0.117(3) 1 d D U P L 4
F2_18 F 0.7961(12) 0.2298(8) 0.3232(4) 0.027(3) Uiso 0.117(3) 1 d D U P L 4
F3_18 F 0.6681(9) 0.2735(7) 0.3793(6) 0.017(3) Uiso 0.117(3) 1 d D U P L 4
F4_18 F 0.7395(12) 0.2066(8) 0.4493(4) 0.020(3) Uiso 0.117(3) 1 d D U P L 4
F5_18 F 0.6912(10) 0.1529(6) 0.3694(6) 0.025(3) Uiso 0.117(3) 1 d D U P L 4
F6_18 F 0.8472(10) 0.2855(6) 0.4024(6) 0.006(3) Uiso 0.117(3) 1 d D U P L 4


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.353(6) . ?
C1 C2 1.397(7) . ?
C1 P1 1.835(5) . ?
C2 N2 1.361(7) . ?
C2 P2 1.843(5) . ?
C3 N2 1.328(8) . ?
C3 C4 1.368(9) . ?
C3 H3 0.9500 . ?
C4 N1 1.338(7) . ?
C4 H4 0.9500 . ?
C17 C22 1.386(8) . ?
C17 C18 1.396(7) . ?
C17 P2 1.820(5) . ?
C18 C19 1.380(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.366(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.378(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.400(8) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C29 N3 1.351(6) . ?
C29 C30 1.397(7) . ?
C29 P3 1.853(5) . ?
C30 N4 1.347(6) . ?
C30 P4 1.845(5) . ?
C31 N4 1.324(7) . ?
C31 C32 1.394(8) . ?
C31 H31 0.9500 . ?
C32 N3 1.322(7) . ?
C32 H32 0.9500 . ?
C33 C38 1.385(7) . ?
C33 C34 1.397(7) . ?
C33 P4 1.824(5) . ?
C34 C35 1.387(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.366(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.370(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.394(8) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C45 C46 1.390(7) . ?
C45 C50 1.394(7) . ?
C45 P3 1.821(5) . ?
C46 C47 1.387(8) . ?
C46 H46 0.9500 . ?
C47 C48 1.380(9) . ?
C47 H47 0.9500 . ?
C48 C49 1.378(8) . ?
C48 H48 0.9500 . ?
C49 C50 1.383(8) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
P1 C1_9 1.817(10) . ?
P1 C1_14 1.818(7) . ?
P1 C1_8 1.818(10) . ?
P1 C1_15 1.819(13) . ?
P1 Ag1 2.4801(12) . ?
P2 C1_12 1.825(11) . ?
P2 C1_13 1.829(9) . ?
P2 Ag1 2.4760(12) . ?
P3 C1_10 1.822(10) . ?
P3 C1_11 1.824(9) . ?
P3 Ag1 2.4738(12) . ?
P4 C1_16 1.825(10) . ?
P4 C1_17 1.829(9) . ?
P4 Ag1 2.4765(12) . ?
C1_1 Cl2_1 1.729(14) . ?
C1_1 Cl3_1 1.732(14) . ?
C1_1 Cl1_1 1.734(14) . ?
C1_1 H1_1 1.0000 . ?
C1_2 Cl2_2 1.715(15) . ?
C1_2 Cl3_2 1.718(15) . ?
C1_2 Cl1_2 1.722(15) . ?
C1_2 H1_2 1.0000 . ?
C1_3 Cl1_3 1.722(16) . ?
C1_3 Cl2_3 1.723(16) . ?
C1_3 Cl3_3 1.731(16) . ?
C1_3 H1_3 1.0000 . ?
C1_4 Cl3_4 1.722(12) . ?
C1_4 Cl1_4 1.727(13) . ?
C1_4 Cl2_4 1.736(12) . ?
C1_4 H1_4 1.0000 . ?
P1_5 F1_5 1.623(7) . ?
P1_5 F6_5 1.634(6) . ?
P1_5 F2_5 1.635(6) . ?
P1_5 F3_5 1.638(6) . ?
P1_5 F4_5 1.642(6) . ?
P1_5 F5_5 1.645(6) . ?
P1_6 F3_6 1.602(6) . ?
P1_6 F1_6 1.609(6) . ?
P1_6 F2_6 1.610(6) . ?
P1_6 F4_6 1.646(6) . ?
P1_6 F6_6 1.646(6) . ?
P1_6 F5_6 1.671(6) . ?
P1_7 F1_7 1.625(6) . ?
P1_7 F4_7 1.630(6) . ?
P1_7 F5_7 1.632(6) . ?
P1_7 F3_7 1.640(6) . ?
P1_7 F2_7 1.646(6) . ?
P1_7 F6_7 1.648(6) . ?
C1_8 C2_8 1.378(11) . ?
C1_8 C6_8 1.399(11) . ?
C2_8 C3_8 1.399(11) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.378(12) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.377(12) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.388(11) . ?
C5_8 H5_8 0.9500 . ?
C6_8 H6_8 0.9500 . ?
C1_9 C6_9 1.384(11) . ?
C1_9 C2_9 1.387(11) . ?
C2_9 C3_9 1.394(11) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.381(12) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C5_9 1.381(12) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.394(11) . ?
C5_9 H5_9 0.9500 . ?
C6_9 H6_9 0.9500 . ?
C1_10 C6_10 1.385(11) . ?
C1_10 C2_10 1.395(11) . ?
C2_10 C3_10 1.387(11) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.367(12) . ?
C3_10 H3_10 0.9500 . ?
C4_10 C5_10 1.385(13) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.385(12) . ?
C5_10 H5_10 0.9500 . ?
C6_10 H6_10 0.9500 . ?
C1_11 C6_11 1.386(11) . ?
C1_11 C2_11 1.389(11) . ?
C2_11 C3_11 1.394(11) . ?
C2_11 H2_11 0.9500 . ?
C3_11 C4_11 1.376(12) . ?
C3_11 H3_11 0.9500 . ?
C4_11 C5_11 1.382(12) . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.378(11) . ?
C5_11 H5_11 0.9500 . ?
C6_11 H6_11 0.9500 . ?
C1_12 C2_12 1.378(12) . ?
C1_12 C6_12 1.379(12) . ?
C2_12 C3_12 1.372(12) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.377(12) . ?
C3_12 H3_12 0.9500 . ?
C4_12 C5_12 1.376(12) . ?
C4_12 H4_12 0.9500 . ?
C5_12 C6_12 1.397(12) . ?
C5_12 H5_12 0.9500 . ?
C6_12 H6_12 0.9500 . ?
C1_13 C2_13 1.381(10) . ?
C1_13 C6_13 1.387(10) . ?
C2_13 C3_13 1.387(11) . ?
C2_13 H2_13 0.9500 . ?
C3_13 C4_13 1.377(11) . ?
C3_13 H3_13 0.9500 . ?
C4_13 C5_13 1.378(11) . ?
C4_13 H4_13 0.9500 . ?
C5_13 C6_13 1.393(10) . ?
C5_13 H5_13 0.9500 . ?
C6_13 H6_13 0.9500 . ?
C1_14 C2_14 1.390(9) . ?
C1_14 C6_14 1.396(9) . ?
C2_14 C3_14 1.383(10) . ?
C2_14 H2_14 0.9500 . ?
C3_14 C4_14 1.369(11) . ?
C3_14 H3_14 0.9500 . ?
C4_14 C5_14 1.385(11) . ?
C4_14 H4_14 0.9500 . ?
C5_14 C6_14 1.380(10) . ?
C5_14 H5_14 0.9500 . ?
C6_14 H6_14 0.9500 . ?
C1_15 C2_15 1.386(13) . ?
C1_15 C6_15 1.386(13) . ?
C2_15 C3_15 1.387(13) . ?
C2_15 H2_15 0.9500 . ?
C3_15 C4_15 1.380(14) . ?
C3_15 H3_15 0.9500 . ?
C4_15 C5_15 1.387(13) . ?
C4_15 H4_15 0.9500 . ?
C5_15 C6_15 1.375(13) . ?
C5_15 H5_15 0.9500 . ?
C6_15 H6_15 0.9500 . ?
C1_16 C2_16 1.383(11) . ?
C1_16 C6_16 1.387(12) . ?
C2_16 C3_16 1.399(12) . ?
C2_16 H2_16 0.9500 . ?
C3_16 C4_16 1.374(12) . ?
C3_16 H3_16 0.9500 . ?
C4_16 C5_16 1.379(12) . ?
C4_16 H4_16 0.9500 . ?
C5_16 C6_16 1.380(12) . ?
C5_16 H5_16 0.9500 . ?
C6_16 H6_16 0.9500 . ?
C1_17 C6_17 1.387(10) . ?
C1_17 C2_17 1.388(10) . ?
C2_17 C3_17 1.390(10) . ?
C2_17 H2_17 0.9500 . ?
C3_17 C4_17 1.384(10) . ?
C3_17 H3_17 0.9500 . ?
C4_17 C5_17 1.373(11) . ?
C4_17 H4_17 0.9500 . ?
C5_17 C6_17 1.399(10) . ?
C5_17 H5_17 0.9500 . ?
C6_17 H6_17 0.9500 . ?
P1_18 F6_18 1.616(6) . ?
P1_18 F4_18 1.630(6) . ?
P1_18 F3_18 1.633(6) . ?
P1_18 F1_18 1.635(6) . ?
P1_18 F2_18 1.642(6) . ?
P1_18 F5_18 1.663(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 121.9(5) . . ?
N1 C1 P1 116.7(4) . . ?
C2 C1 P1 121.4(4) . . ?
N2 C2 C1 120.3(5) . . ?
N2 C2 P2 119.0(4) . . ?
C1 C2 P2 120.7(4) . . ?
N2 C3 C4 123.2(5) . . ?
N2 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
N1 C4 C3 121.7(5) . . ?
N1 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C22 C17 C18 119.1(5) . . ?
C22 C17 P2 118.1(4) . . ?
C18 C17 P2 122.8(4) . . ?
C19 C18 C17 120.0(5) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.7(5) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C19 C20 C21 120.5(5) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C22 119.5(6) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C17 C22 C21 120.2(5) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
N3 C29 C30 121.4(4) . . ?
N3 C29 P3 116.8(3) . . ?
C30 C29 P3 121.8(3) . . ?
N4 C30 C29 121.1(4) . . ?
N4 C30 P4 117.9(4) . . ?
C29 C30 P4 120.9(3) . . ?
N4 C31 C32 121.7(5) . . ?
N4 C31 H31 119.1 . . ?
C32 C31 H31 119.1 . . ?
N3 C32 C31 122.2(5) . . ?
N3 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
C38 C33 C34 119.7(5) . . ?
C38 C33 P4 121.6(4) . . ?
C34 C33 P4 118.6(4) . . ?
C35 C34 C33 119.9(5) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 119.6(6) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C35 C36 C37 121.5(5) . . ?
C35 C36 H36 119.3 . . ?
C37 C36 H36 119.3 . . ?
C36 C37 C38 119.7(6) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
C33 C38 C37 119.6(5) . . ?
C33 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
C46 C45 C50 118.8(4) . . ?
C46 C45 P3 119.5(4) . . ?
C50 C45 P3 121.6(4) . . ?
C47 C46 C45 120.9(5) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C48 C47 C46 119.4(5) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 H47 120.3 . . ?
C49 C48 C47 120.5(5) . . ?
C49 C48 H48 119.8 . . ?
C47 C48 H48 119.8 . . ?
C48 C49 C50 120.3(5) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C49 C50 C45 120.1(5) . . ?
C49 C50 H50 119.9 . . ?
C45 C50 H50 119.9 . . ?
C4 N1 C1 116.4(5) . . ?
C3 N2 C2 116.5(5) . . ?
C32 N3 C29 116.6(4) . . ?
C31 N4 C30 117.0(4) . . ?
C1_14 P1 C1_8 103.9(9) . . ?
C1_9 P1 C1_15 108(2) . . ?
C1_9 P1 C1 101.6(8) . . ?
C1_14 P1 C1 98.7(7) . . ?
C1_8 P1 C1 106.7(8) . . ?
C1_15 P1 C1 104(3) . . ?
C1_9 P1 Ag1 117.6(11) . . ?
C1_14 P1 Ag1 120.3(3) . . ?
C1_8 P1 Ag1 120.9(10) . . ?
C1_15 P1 Ag1 119.3(8) . . ?
C1 P1 Ag1 103.24(17) . . ?
C17 P2 C1_12 109.3(8) . . ?
C17 P2 C1_13 102.4(6) . . ?
C17 P2 C2 102.1(2) . . ?
C1_12 P2 C2 103.5(13) . . ?
C1_13 P2 C2 106.8(10) . . ?
C17 P2 Ag1 113.18(17) . . ?
C1_12 P2 Ag1 122.7(13) . . ?
C1_13 P2 Ag1 126.6(10) . . ?
C2 P2 Ag1 103.15(17) . . ?
C45 P3 C1_10 104.3(6) . . ?
C45 P3 C1_11 105.6(6) . . ?
C45 P3 C29 101.2(2) . . ?
C1_10 P3 C29 104.3(7) . . ?
C1_11 P3 C29 102.3(7) . . ?
C45 P3 Ag1 120.66(16) . . ?
C1_10 P3 Ag1 120.6(8) . . ?
C1_11 P3 Ag1 120.7(8) . . ?
C29 P3 Ag1 102.82(15) . . ?
C33 P4 C1_16 106.7(11) . . ?
C33 P4 C1_17 102.0(8) . . ?
C33 P4 C30 103.3(2) . . ?
C1_16 P4 C30 101.4(10) . . ?
C1_17 P4 C30 106.3(8) . . ?
C33 P4 Ag1 113.97(16) . . ?
C1_16 P4 Ag1 124.9(15) . . ?
C1_17 P4 Ag1 125.6(12) . . ?
C30 P4 Ag1 103.57(15) . . ?
P3 Ag1 P2 122.53(4) . . ?
P3 Ag1 P4 84.31(4) . . ?
P2 Ag1 P4 125.53(4) . . ?
P3 Ag1 P1 123.78(4) . . ?
P2 Ag1 P1 83.22(4) . . ?
P4 Ag1 P1 122.80(4) . . ?
Cl2_1 C1_1 Cl3_1 111.7(14) . . ?
Cl2_1 C1_1 Cl1_1 114.0(14) . . ?
Cl3_1 C1_1 Cl1_1 111.3(13) . . ?
Cl2_1 C1_1 H1_1 106.4 . . ?
Cl3_1 C1_1 H1_1 106.4 . . ?
Cl1_1 C1_1 H1_1 106.4 . . ?
Cl2_2 C1_2 Cl3_2 113.4(15) . . ?
Cl2_2 C1_2 Cl1_2 111.5(14) . . ?
Cl3_2 C1_2 Cl1_2 107.5(15) . . ?
Cl2_2 C1_2 H1_2 108.1 . . ?
Cl3_2 C1_2 H1_2 108.1 . . ?
Cl1_2 C1_2 H1_2 108.1 . . ?
Cl1_3 C1_3 Cl2_3 112.9(17) . . ?
Cl1_3 C1_3 Cl3_3 112.3(16) . . ?
Cl2_3 C1_3 Cl3_3 112.5(17) . . ?
Cl1_3 C1_3 H1_3 106.2 . . ?
Cl2_3 C1_3 H1_3 106.2 . . ?
Cl3_3 C1_3 H1_3 106.2 . . ?
Cl3_4 C1_4 Cl1_4 112.2(11) . . ?
Cl3_4 C1_4 Cl2_4 113.4(10) . . ?
Cl1_4 C1_4 Cl2_4 107.6(10) . . ?
Cl3_4 C1_4 H1_4 107.8 . . ?
Cl1_4 C1_4 H1_4 107.8 . . ?
Cl2_4 C1_4 H1_4 107.8 . . ?
F1_5 P1_5 F6_5 90.3(4) . . ?
F1_5 P1_5 F2_5 91.8(4) . . ?
F6_5 P1_5 F2_5 90.4(4) . . ?
F1_5 P1_5 F3_5 177.8(6) . . ?
F6_5 P1_5 F3_5 89.7(4) . . ?
F2_5 P1_5 F3_5 90.4(4) . . ?
F1_5 P1_5 F4_5 88.0(7) . . ?
F6_5 P1_5 F4_5 89.9(4) . . ?
F2_5 P1_5 F4_5 179.6(5) . . ?
F3_5 P1_5 F4_5 89.7(4) . . ?
F1_5 P1_5 F5_5 90.5(4) . . ?
F6_5 P1_5 F5_5 179.2(5) . . ?
F2_5 P1_5 F5_5 89.9(4) . . ?
F3_5 P1_5 F5_5 89.5(4) . . ?
F4_5 P1_5 F5_5 89.8(4) . . ?
F3_6 P1_6 F1_6 172.4(6) . . ?
F3_6 P1_6 F2_6 93.9(4) . . ?
F1_6 P1_6 F2_6 93.2(4) . . ?
F3_6 P1_6 F4_6 91.5(4) . . ?
F1_6 P1_6 F4_6 81.3(6) . . ?
F2_6 P1_6 F4_6 174.3(5) . . ?
F3_6 P1_6 F6_6 91.4(4) . . ?
F1_6 P1_6 F6_6 91.2(4) . . ?
F2_6 P1_6 F6_6 91.0(4) . . ?
F4_6 P1_6 F6_6 90.4(4) . . ?
F3_6 P1_6 F5_6 88.7(4) . . ?
F1_6 P1_6 F5_6 88.5(4) . . ?
F2_6 P1_6 F5_6 89.9(4) . . ?
F4_6 P1_6 F5_6 88.8(4) . . ?
F6_6 P1_6 F5_6 179.1(5) . . ?
F1_7 P1_7 F4_7 89.1(6) . . ?
F1_7 P1_7 F5_7 90.5(4) . . ?
F4_7 P1_7 F5_7 92.1(4) . . ?
F1_7 P1_7 F3_7 178.8(5) . . ?
F4_7 P1_7 F3_7 90.4(4) . . ?
F5_7 P1_7 F3_7 90.6(4) . . ?
F1_7 P1_7 F2_7 90.8(4) . . ?
F4_7 P1_7 F2_7 178.7(5) . . ?
F5_7 P1_7 F2_7 89.2(4) . . ?
F3_7 P1_7 F2_7 89.8(4) . . ?
F1_7 P1_7 F6_7 89.6(4) . . ?
F4_7 P1_7 F6_7 90.0(4) . . ?
F5_7 P1_7 F6_7 177.9(5) . . ?
F3_7 P1_7 F6_7 89.3(4) . . ?
F2_7 P1_7 F6_7 88.7(4) . . ?
C2_8 C1_8 C6_8 120.5(10) . . ?
C2_8 C1_8 P1 119.8(9) . . ?
C6_8 C1_8 P1 118.8(9) . . ?
C1_8 C2_8 C3_8 120.7(11) . . ?
C1_8 C2_8 H2_8 119.7 . . ?
C3_8 C2_8 H2_8 119.7 . . ?
C4_8 C3_8 C2_8 118.1(11) . . ?
C4_8 C3_8 H3_8 121.0 . . ?
C2_8 C3_8 H3_8 121.0 . . ?
C5_8 C4_8 C3_8 121.9(11) . . ?
C5_8 C4_8 H4_8 119.0 . . ?
C3_8 C4_8 H4_8 119.0 . . ?
C4_8 C5_8 C6_8 120.1(12) . . ?
C4_8 C5_8 H5_8 120.0 . . ?
C6_8 C5_8 H5_8 120.0 . . ?
C5_8 C6_8 C1_8 118.7(12) . . ?
C5_8 C6_8 H6_8 120.7 . . ?
C1_8 C6_8 H6_8 120.7 . . ?
C6_9 C1_9 C2_9 119.7(10) . . ?
C6_9 C1_9 P1 120.9(9) . . ?
C2_9 C1_9 P1 118.9(9) . . ?
C1_9 C2_9 C3_9 118.9(11) . . ?
C1_9 C2_9 H2_9 120.6 . . ?
C3_9 C2_9 H2_9 120.6 . . ?
C4_9 C3_9 C2_9 121.0(12) . . ?
C4_9 C3_9 H3_9 119.5 . . ?
C2_9 C3_9 H3_9 119.5 . . ?
C3_9 C4_9 C5_9 120.4(11) . . ?
C3_9 C4_9 H4_9 119.8 . . ?
C5_9 C4_9 H4_9 119.8 . . ?
C4_9 C5_9 C6_9 118.5(11) . . ?
C4_9 C5_9 H5_9 120.7 . . ?
C6_9 C5_9 H5_9 120.7 . . ?
C1_9 C6_9 C5_9 121.4(11) . . ?
C1_9 C6_9 H6_9 119.3 . . ?
C5_9 C6_9 H6_9 119.3 . . ?
C6_10 C1_10 C2_10 119.0(11) . . ?
C6_10 C1_10 P3 120.5(9) . . ?
C2_10 C1_10 P3 119.9(10) . . ?
C3_10 C2_10 C1_10 119.2(12) . . ?
C3_10 C2_10 H2_10 120.4 . . ?
C1_10 C2_10 H2_10 120.4 . . ?
C4_10 C3_10 C2_10 121.5(13) . . ?
C4_10 C3_10 H3_10 119.3 . . ?
C2_10 C3_10 H3_10 119.3 . . ?
C3_10 C4_10 C5_10 119.6(14) . . ?
C3_10 C4_10 H4_10 120.2 . . ?
C5_10 C4_10 H4_10 120.2 . . ?
C4_10 C5_10 C6_10 119.6(14) . . ?
C4_10 C5_10 H5_10 120.2 . . ?
C6_10 C5_10 H5_10 120.2 . . ?
C1_10 C6_10 C5_10 120.9(13) . . ?
C1_10 C6_10 H6_10 119.5 . . ?
C5_10 C6_10 H6_10 119.5 . . ?
C6_11 C1_11 C2_11 119.4(10) . . ?
C6_11 C1_11 P3 119.8(9) . . ?
C2_11 C1_11 P3 120.6(9) . . ?
C1_11 C2_11 C3_11 120.3(11) . . ?
C1_11 C2_11 H2_11 119.9 . . ?
C3_11 C2_11 H2_11 119.9 . . ?
C4_11 C3_11 C2_11 119.2(12) . . ?
C4_11 C3_11 H3_11 120.4 . . ?
C2_11 C3_11 H3_11 120.4 . . ?
C3_11 C4_11 C5_11 120.9(13) . . ?
C3_11 C4_11 H4_11 119.6 . . ?
C5_11 C4_11 H4_11 119.6 . . ?
C6_11 C5_11 C4_11 119.6(13) . . ?
C6_11 C5_11 H5_11 120.2 . . ?
C4_11 C5_11 H5_11 120.2 . . ?
C5_11 C6_11 C1_11 120.5(12) . . ?
C5_11 C6_11 H6_11 119.8 . . ?
C1_11 C6_11 H6_11 119.8 . . ?
C2_12 C1_12 C6_12 119.7(11) . . ?
C2_12 C1_12 P2 118.6(10) . . ?
C6_12 C1_12 P2 121.5(10) . . ?
C3_12 C2_12 C1_12 120.1(12) . . ?
C3_12 C2_12 H2_12 119.9 . . ?
C1_12 C2_12 H2_12 119.9 . . ?
C2_12 C3_12 C4_12 119.7(13) . . ?
C2_12 C3_12 H3_12 120.1 . . ?
C4_12 C3_12 H3_12 120.1 . . ?
C5_12 C4_12 C3_12 121.7(12) . . ?
C5_12 C4_12 H4_12 119.1 . . ?
C3_12 C4_12 H4_12 119.1 . . ?
C4_12 C5_12 C6_12 117.7(12) . . ?
C4_12 C5_12 H5_12 121.1 . . ?
C6_12 C5_12 H5_12 121.1 . . ?
C1_12 C6_12 C5_12 120.9(12) . . ?
C1_12 C6_12 H6_12 119.5 . . ?
C5_12 C6_12 H6_12 119.5 . . ?
C2_13 C1_13 C6_13 119.3(9) . . ?
C2_13 C1_13 P2 119.2(8) . . ?
C6_13 C1_13 P2 121.1(8) . . ?
C1_13 C2_13 C3_13 120.4(10) . . ?
C1_13 C2_13 H2_13 119.8 . . ?
C3_13 C2_13 H2_13 119.8 . . ?
C4_13 C3_13 C2_13 120.0(10) . . ?
C4_13 C3_13 H3_13 120.0 . . ?
C2_13 C3_13 H3_13 120.0 . . ?
C3_13 C4_13 C5_13 120.4(10) . . ?
C3_13 C4_13 H4_13 119.8 . . ?
C5_13 C4_13 H4_13 119.8 . . ?
C4_13 C5_13 C6_13 119.5(10) . . ?
C4_13 C5_13 H5_13 120.3 . . ?
C6_13 C5_13 H5_13 120.3 . . ?
C1_13 C6_13 C5_13 120.4(10) . . ?
C1_13 C6_13 H6_13 119.8 . . ?
C5_13 C6_13 H6_13 119.8 . . ?
C2_14 C1_14 C6_14 119.2(8) . . ?
C2_14 C1_14 P1 121.8(6) . . ?
C6_14 C1_14 P1 118.1(6) . . ?
C3_14 C2_14 C1_14 120.5(9) . . ?
C3_14 C2_14 H2_14 119.8 . . ?
C1_14 C2_14 H2_14 119.8 . . ?
C4_14 C3_14 C2_14 119.4(9) . . ?
C4_14 C3_14 H3_14 120.3 . . ?
C2_14 C3_14 H3_14 120.3 . . ?
C3_14 C4_14 C5_14 121.2(9) . . ?
C3_14 C4_14 H4_14 119.4 . . ?
C5_14 C4_14 H4_14 119.4 . . ?
C6_14 C5_14 C4_14 119.5(9) . . ?
C6_14 C5_14 H5_14 120.3 . . ?
C4_14 C5_14 H5_14 120.3 . . ?
C5_14 C6_14 C1_14 120.1(8) . . ?
C5_14 C6_14 H6_14 120.0 . . ?
C1_14 C6_14 H6_14 120.0 . . ?
C2_15 C1_15 C6_15 120.7(14) . . ?
C2_15 C1_15 P1 120.6(12) . . ?
C6_15 C1_15 P1 118.7(11) . . ?
C1_15 C2_15 C3_15 119.8(16) . . ?
C1_15 C2_15 H2_15 120.1 . . ?
C3_15 C2_15 H2_15 120.1 . . ?
C4_15 C3_15 C2_15 118.9(17) . . ?
C4_15 C3_15 H3_15 120.5 . . ?
C2_15 C3_15 H3_15 120.5 . . ?
C3_15 C4_15 C5_15 121.4(16) . . ?
C3_15 C4_15 H4_15 119.3 . . ?
C5_15 C4_15 H4_15 119.3 . . ?
C6_15 C5_15 C4_15 119.4(17) . . ?
C6_15 C5_15 H5_15 120.3 . . ?
C4_15 C5_15 H5_15 120.3 . . ?
C5_15 C6_15 C1_15 119.7(16) . . ?
C5_15 C6_15 H6_15 120.2 . . ?
C1_15 C6_15 H6_15 120.2 . . ?
C2_16 C1_16 C6_16 119.0(11) . . ?
C2_16 C1_16 P4 119.8(10) . . ?
C6_16 C1_16 P4 121.0(10) . . ?
C1_16 C2_16 C3_16 121.4(12) . . ?
C1_16 C2_16 H2_16 119.3 . . ?
C3_16 C2_16 H2_16 119.3 . . ?
C4_16 C3_16 C2_16 118.1(12) . . ?
C4_16 C3_16 H3_16 121.0 . . ?
C2_16 C3_16 H3_16 121.0 . . ?
C3_16 C4_16 C5_16 121.2(12) . . ?
C3_16 C4_16 H4_16 119.4 . . ?
C5_16 C4_16 H4_16 119.4 . . ?
C4_16 C5_16 C6_16 120.1(12) . . ?
C4_16 C5_16 H5_16 119.9 . . ?
C6_16 C5_16 H5_16 119.9 . . ?
C5_16 C6_16 C1_16 120.1(12) . . ?
C5_16 C6_16 H6_16 120.0 . . ?
C1_16 C6_16 H6_16 120.0 . . ?
C6_17 C1_17 C2_17 119.0(9) . . ?
C6_17 C1_17 P4 122.0(8) . . ?
C2_17 C1_17 P4 118.5(8) . . ?
C1_17 C2_17 C3_17 120.2(10) . . ?
C1_17 C2_17 H2_17 119.9 . . ?
C3_17 C2_17 H2_17 119.9 . . ?
C4_17 C3_17 C2_17 120.3(10) . . ?
C4_17 C3_17 H3_17 119.9 . . ?
C2_17 C3_17 H3_17 119.9 . . ?
C5_17 C4_17 C3_17 120.2(9) . . ?
C5_17 C4_17 H4_17 119.9 . . ?
C3_17 C4_17 H4_17 119.9 . . ?
C4_17 C5_17 C6_17 119.6(9) . . ?
C4_17 C5_17 H5_17 120.2 . . ?
C6_17 C5_17 H5_17 120.2 . . ?
C1_17 C6_17 C5_17 120.7(10) . . ?
C1_17 C6_17 H6_17 119.7 . . ?
C5_17 C6_17 H6_17 119.7 . . ?
F6_18 P1_18 F4_18 93.0(4) . . ?
F6_18 P1_18 F3_18 91.4(4) . . ?
F4_18 P1_18 F3_18 90.2(4) . . ?
F6_18 P1_18 F1_18 90.3(4) . . ?
F4_18 P1_18 F1_18 88.8(7) . . ?
F3_18 P1_18 F1_18 178.0(5) . . ?
F6_18 P1_18 F2_18 90.2(4) . . ?
F4_18 P1_18 F2_18 176.7(5) . . ?
F3_18 P1_18 F2_18 90.4(4) . . ?
F1_18 P1_18 F2_18 90.5(4) . . ?
F6_18 P1_18 F5_18 178.4(5) . . ?
F4_18 P1_18 F5_18 88.4(4) . . ?
F3_18 P1_18 F5_18 89.3(4) . . ?
F1_18 P1_18 F5_18 89.0(4) . . ?
F2_18 P1_18 F5_18 88.3(4) . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 127 46 ' '
2 0.000 0.500 0.000 127 46 ' '

####################################################################### 
# 
# 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_LipSo5_fine
_database_code_depnum_ccdc_archive 'CCDC 2406497'
loop_
_audit_author_name
_audit_author_address
'Thomas Pickl'
;Technical University of Munich
Germany
;

_audit_update_record             
;
2026-02-23 deposited with the CCDC.	2026-02-24 downloaded from the CCDC.
;

_audit_creation_method           
;FinalCif V154 by Daniel Kratzert, Freiburg 2026, 
https://dkratzert.de/finalcif.html
;

loop_
_publ_author_phone
''
''
''
''
''
''
''
''
''
''
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H50 Ag Cl6 F6 N4 P5'
_chemical_formula_weight         1488.52

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P c'
_space_group_name_Hall           'P -2yc'

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

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

_cell_length_a                   16.5556(11)
_cell_length_b                   19.9293(12)
_cell_length_c                   19.8501(10)
_cell_angle_alpha                90
_cell_angle_beta                 100.162(2)
_cell_angle_gamma                90
_cell_volume                     6446.6(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9804
_cell_measurement_theta_min      2.3955
_cell_measurement_theta_max      24.985
_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method ' '
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.401
_exptl_crystal_size_mid          0.088
_exptl_crystal_size_min          0.027
_exptl_absorpt_coefficient_mu    0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7036
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker, 2016)'
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_special_details   ?
_exptl_special_details           
;Diffractometer operator             T. Pickl
scanspeed                           1-5 s per frame
dx                                  46 mm
2471 frames measured in 11 data sets
phi-scans with delta_phi         = 0.5
omega-scans with delta_omega     = 0.5
shutterless mode
;
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'TXS rotating anode'
_diffrn_source_type              ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 16
_diffrn_measurement_device       'three-angle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            278395
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_av_R_equivalents  0.0826
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.044
_diffrn_reflns_theta_max         25.397
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             23592
_reflns_number_gt                21953
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.994
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    0.998

_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.
;

_computing_data_collection       
'Bruker BIS V6.2.16/2021-10-23 and APEX4 2021.10-0'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  
'SHELXL (Sheldrick, 2015), SHELXLE (Huebschle, 2011)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2004)'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0218P)²+3.6021P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.500(12)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         23592
_refine_ls_number_parameters     1586
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0558
_refine_ls_wR_factor_gt          0.0536
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5691(3) 0.08460(19) 0.3362(2) 0.0171(9) Uani 1 1 d . . . . .
C2 C 0.6414(2) 0.10255(19) 0.3106(2) 0.0154(8) Uani 1 1 d . . . . .
C3 C 0.6377(3) 0.1125(2) 0.2399(2) 0.0199(9) Uani 1 1 d . . . . .
H3 H 0.686011 0.123337 0.222579 0.024 Uiso 1 1 calc R U . . .
C4 C 0.5645(3) 0.1065(2) 0.1966(2) 0.0235(10) Uani 1 1 d . . . . .
H4 H 0.561994 0.114109 0.148997 0.028 Uiso 1 1 calc R U . . .
C5 C 0.4921(3) 0.0891(2) 0.2215(2) 0.0260(10) Uani 1 1 d . . . . .
H5 H 0.441582 0.085422 0.190443 0.031 Uiso 1 1 calc R U . . .
C6 C 0.4943(3) 0.0777(2) 0.2895(2) 0.0228(10) Uani 1 1 d . . . . .
H6 H 0.445654 0.065066 0.305517 0.027 Uiso 1 1 calc R U . . .
C7 C 0.6412(2) 0.08549(18) 0.44586(19) 0.0136(8) Uani 1 1 d . . . . .
C8 C 0.7131(2) 0.10565(19) 0.4208(2) 0.0151(8) Uani 1 1 d . . . . .
C9 C 0.8397(2) 0.20451(19) 0.44351(19) 0.0175(9) Uani 1 1 d . . . . .
C10 C 0.9226(3) 0.2221(2) 0.4585(2) 0.0244(9) Uani 1 1 d . . . . .
H10 H 0.961066 0.192131 0.483940 0.029 Uiso 1 1 calc R U . . .
C11 C 0.9487(3) 0.2824(2) 0.4367(2) 0.0302(11) Uani 1 1 d . . . . .
H11 H 1.004876 0.294642 0.448538 0.036 Uiso 1 1 calc R U . . .
C12 C 0.8946(3) 0.3250(2) 0.3982(2) 0.0332(11) Uani 1 1 d . . . . .
H12 H 0.913359 0.365820 0.381567 0.040 Uiso 1 1 calc R U . . .
C13 C 0.8121(3) 0.3084(2) 0.3835(2) 0.0370(12) Uani 1 1 d . . . . .
H13 H 0.773997 0.338055 0.357301 0.044 Uiso 1 1 calc R U . . .
C14 C 0.7852(3) 0.2487(2) 0.4069(2) 0.0270(10) Uani 1 1 d . . . . .
H14 H 0.728413 0.237996 0.397691 0.032 Uiso 1 1 calc R U . . .
C15 C 0.5429(2) 0.0976(2) 0.55095(19) 0.0167(8) Uani 1 1 d . . . . .
C16 C 0.5142(3) 0.1602(2) 0.5259(2) 0.0217(9) Uani 1 1 d . . . . .
H16 H 0.543022 0.184427 0.496332 0.026 Uiso 1 1 calc R U . . .
C17 C 0.4441(3) 0.1872(2) 0.5439(2) 0.0306(11) Uani 1 1 d . . . . .
H17 H 0.424967 0.229956 0.526848 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4016(3) 0.1520(3) 0.5868(2) 0.0337(12) Uani 1 1 d . . . . .
H18 H 0.353274 0.170577 0.599010 0.040 Uiso 1 1 calc R U . . .
C19 C 0.4293(3) 0.0905(3) 0.6115(2) 0.0306(11) Uani 1 1 d . . . . .
H19 H 0.400063 0.066582 0.640951 0.037 Uiso 1 1 calc R U . . .
C20 C 0.4997(3) 0.0628(2) 0.5941(2) 0.0232(9) Uani 1 1 d . . . . .
H20 H 0.518428 0.020085 0.611519 0.028 Uiso 1 1 calc R U . . .
C21 C 0.6478(3) -0.01985(19) 0.5424(2) 0.0172(9) Uani 1 1 d . . . . .
C22 C 0.7188(3) -0.0505(2) 0.5764(2) 0.0204(9) Uani 1 1 d . . . . .
H22 H 0.762331 -0.023499 0.599466 0.024 Uiso 1 1 calc R U . . .
C23 C 0.7273(3) -0.1194(2) 0.5771(2) 0.0255(10) Uani 1 1 d . . . . .
H23 H 0.776540 -0.139387 0.600368 0.031 Uiso 1 1 calc R U . . .
C24 C 0.6644(3) -0.1592(2) 0.5442(2) 0.0270(10) Uani 1 1 d . . . . .
H24 H 0.670008 -0.206600 0.544527 0.032 Uiso 1 1 calc R U . . .
C25 C 0.5929(3) -0.1295(2) 0.5105(2) 0.0253(10) Uani 1 1 d . . . . .
H25 H 0.549270 -0.156915 0.488241 0.030 Uiso 1 1 calc R U . . .
C26 C 0.5842(3) -0.0600(2) 0.5089(2) 0.0199(9) Uani 1 1 d . . . . .
H26 H 0.535242 -0.040090 0.485197 0.024 Uiso 1 1 calc R U . . .
C27 C 0.7897(3) 0.31528(19) 0.6391(2) 0.0184(9) Uani 1 1 d . . . . .
C28 C 0.7495(3) 0.3700(2) 0.6612(2) 0.0244(9) Uani 1 1 d . . . . .
H28 H 0.717362 0.364921 0.696128 0.029 Uiso 1 1 calc R U . . .
C29 C 0.7569(3) 0.4325(2) 0.6315(2) 0.0300(11) Uani 1 1 d . . . . .
H29 H 0.729098 0.470050 0.646137 0.036 Uiso 1 1 calc R U . . .
C30 C 0.8035(3) 0.4407(2) 0.5817(2) 0.0297(11) Uani 1 1 d . . . . .
H30 H 0.807839 0.483547 0.561617 0.036 Uiso 1 1 calc R U . . .
C31 C 0.8442(3) 0.3863(2) 0.5607(2) 0.0292(10) Uani 1 1 d . . . . .
H31 H 0.877863 0.391986 0.527011 0.035 Uiso 1 1 calc R U . . .
C32 C 0.8364(3) 0.3237(2) 0.5884(2) 0.0237(9) Uani 1 1 d . . . . .
H32 H 0.863230 0.286229 0.572546 0.028 Uiso 1 1 calc R U . . .
C33 C 0.9010(2) 0.0056(2) 0.7173(2) 0.0170(9) Uani 1 1 d . . . . .
C34 C 0.9796(3) 0.0080(2) 0.6997(2) 0.0234(10) Uani 1 1 d . . . . .
H34 H 1.001953 0.049637 0.688576 0.028 Uiso 1 1 calc R U . . .
C35 C 1.0241(3) -0.0503(2) 0.6985(2) 0.0292(10) Uani 1 1 d . . . . .
H35 H 1.077644 -0.048471 0.687470 0.035 Uiso 1 1 calc R U . . .
C36 C 0.9917(3) -0.1116(2) 0.7134(2) 0.0304(11) Uani 1 1 d . . . . .
H36 H 1.022231 -0.151661 0.711224 0.036 Uiso 1 1 calc R U . . .
C37 C 0.9149(3) -0.1143(2) 0.7312(2) 0.0272(10) Uani 1 1 d . . . . .
H37 H 0.893139 -0.156093 0.742448 0.033 Uiso 1 1 calc R U . . .
C38 C 0.8693(3) -0.0558(2) 0.7327(2) 0.0198(9) Uani 1 1 d . . . . .
H38 H 0.816057 -0.058006 0.744317 0.024 Uiso 1 1 calc R U . . .
C39 C 0.8833(2) 0.06607(19) 0.4678(2) 0.0158(8) Uani 1 1 d . . . . .
C40 C 0.9141(3) 0.0232(2) 0.5212(2) 0.0216(9) Uani 1 1 d . . . . .
H40 H 0.894156 0.025844 0.563211 0.026 Uiso 1 1 calc R U . . .
C41 C 0.9738(3) -0.0236(2) 0.5136(2) 0.0267(10) Uani 1 1 d . . . . .
H41 H 0.994654 -0.053052 0.550181 0.032 Uiso 1 1 calc R U . . .
C42 C 1.0029(3) -0.0273(2) 0.4525(2) 0.0234(9) Uani 1 1 d . . . . .
H42 H 1.043476 -0.059650 0.447176 0.028 Uiso 1 1 calc R U . . .
C43 C 0.9733(3) 0.0156(2) 0.3994(2) 0.0222(9) Uani 1 1 d . . . . .
H43 H 0.993802 0.013124 0.357652 0.027 Uiso 1 1 calc R U . . .
C44 C 0.9138(2) 0.0623(2) 0.4068(2) 0.0192(9) Uani 1 1 d . . . . .
H44 H 0.893663 0.091924 0.370260 0.023 Uiso 1 1 calc R U . . .
C45 C 0.6985(3) 0.23759(19) 0.7239(2) 0.0180(9) Uani 1 1 d . . . . .
C46 C 0.7156(3) 0.2454(2) 0.7944(2) 0.0224(9) Uani 1 1 d . . . . .
H46 H 0.770742 0.248659 0.817615 0.027 Uiso 1 1 calc R U . . .
C47 C 0.6510(3) 0.2483(2) 0.8310(2) 0.0260(10) Uani 1 1 d . . . . .
H47 H 0.662260 0.253624 0.879316 0.031 Uiso 1 1 calc R U . . .
C48 C 0.5712(3) 0.2434(2) 0.7975(2) 0.0276(10) Uani 1 1 d . . . . .
H48 H 0.527608 0.245055 0.822800 0.033 Uiso 1 1 calc R U . . .
C49 C 0.5538(3) 0.2363(2) 0.7271(2) 0.0279(10) Uani 1 1 d . . . . .
H49 H 0.498486 0.233695 0.704168 0.034 Uiso 1 1 calc R U . . .
C50 C 0.6173(3) 0.2329(2) 0.6903(2) 0.0242(10) Uani 1 1 d . . . . .
H50 H 0.605581 0.227299 0.641982 0.029 Uiso 1 1 calc R U . . .
C51 C 0.8714(2) 0.2160(2) 0.7345(2) 0.0157(8) Uani 1 1 d . . . . .
C52 C 0.9838(2) 0.2536(2) 0.8087(2) 0.0174(9) Uani 1 1 d . . . . .
C53 C 1.0134(2) 0.1876(2) 0.8192(2) 0.0166(9) Uani 1 1 d . . . . .
C54 C 0.8995(2) 0.14836(19) 0.7483(2) 0.0142(8) Uani 1 1 d . . . . .
C55 C 0.7617(3) 0.06986(18) 0.7634(2) 0.0159(8) Uani 1 1 d . . . . .
C56 C 0.6791(3) 0.0693(2) 0.7351(2) 0.0204(9) Uani 1 1 d . . . . .
H56 H 0.662660 0.069157 0.686804 0.024 Uiso 1 1 calc R U . . .
C57 C 0.6198(3) 0.0691(2) 0.7770(2) 0.0220(9) Uani 1 1 d . . . . .
H57 H 0.563157 0.068894 0.757478 0.026 Uiso 1 1 calc R U . . .
C58 C 0.6444(3) 0.0691(2) 0.8475(2) 0.0236(10) Uani 1 1 d . . . . .
H58 H 0.604258 0.069542 0.876317 0.028 Uiso 1 1 calc R U . . .
C59 C 0.7263(3) 0.0686(2) 0.8760(2) 0.0237(10) Uani 1 1 d . . . . .
H59 H 0.742460 0.067580 0.924305 0.028 Uiso 1 1 calc R U . . .
C60 C 0.7859(3) 0.0695(2) 0.8344(2) 0.0200(9) Uani 1 1 d . . . . .
H60 H 0.842525 0.069950 0.854168 0.024 Uiso 1 1 calc R U . . .
C61 C 1.0314(3) 0.3068(2) 0.8424(2) 0.0252(10) Uani 1 1 d . . . . .
H61 H 1.011667 0.351580 0.837042 0.030 Uiso 1 1 calc R U . . .
C62 C 1.1051(3) 0.2939(2) 0.8826(2) 0.0298(11) Uani 1 1 d . . . . .
H62 H 1.136314 0.329822 0.905366 0.036 Uiso 1 1 calc R U . . .
C63 C 1.1357(3) 0.2281(2) 0.8908(2) 0.0263(10) Uani 1 1 d . . . . .
H63 H 1.188122 0.220210 0.917902 0.032 Uiso 1 1 calc R U . . .
C64 C 1.0908(3) 0.1755(2) 0.8601(2) 0.0226(9) Uani 1 1 d . . . . .
H64 H 1.111439 0.131016 0.866175 0.027 Uiso 1 1 calc R U . . .
N1 N 0.5702(2) 0.07504(16) 0.40387(17) 0.0165(7) Uani 1 1 d . . . . .
N2 N 0.7138(2) 0.11233(16) 0.35481(16) 0.0162(7) Uani 1 1 d . . . . .
N3 N 0.9126(2) 0.26774(17) 0.76511(18) 0.0195(8) Uani 1 1 d . . . . .
N4 N 0.9686(2) 0.13414(16) 0.78984(18) 0.0179(8) Uani 1 1 d . . . . .
P1 P 0.64361(6) 0.07156(5) 0.53801(5) 0.0139(2) Uani 1 1 d . . . . .
P2 P 0.80768(6) 0.12836(5) 0.48144(5) 0.0144(2) Uani 1 1 d . . . . .
P3 P 0.77753(7) 0.23136(5) 0.67129(5) 0.0162(2) Uani 1 1 d . . . . .
P4 P 0.83621(6) 0.07937(5) 0.70631(5) 0.0141(2) Uani 1 1 d . . . . .
Ag1 Ag 0.76912(2) 0.13130(2) 0.59561(2) 0.01446(7) Uani 1 1 d . . . . .
C65 C 0.4483(3) 0.3953(2) 0.5193(2) 0.0182(9) Uani 1 1 d . . . . .
C66 C 0.5199(3) 0.4106(2) 0.5668(2) 0.0278(11) Uani 1 1 d . . . . .
H66 H 0.568208 0.425391 0.551686 0.033 Uiso 1 1 calc R U . . .
C67 C 0.5182(3) 0.4036(2) 0.6351(2) 0.0313(11) Uani 1 1 d . . . . .
H67 H 0.565748 0.414317 0.667534 0.038 Uiso 1 1 calc R U . . .
C68 C 0.4477(3) 0.3808(3) 0.6582(2) 0.0308(11) Uani 1 1 d . . . . .
H68 H 0.448608 0.376318 0.705932 0.037 Uiso 1 1 calc R U . . .
C69 C 0.3774(3) 0.3650(2) 0.6131(2) 0.0246(10) Uani 1 1 d . . . . .
H69 H 0.330207 0.349071 0.629296 0.030 Uiso 1 1 calc R U . . .
C70 C 0.3765(3) 0.37274(19) 0.5422(2) 0.0181(9) Uani 1 1 d . . . . .
C71 C 0.3093(2) 0.36634(19) 0.4312(2) 0.0153(8) Uani 1 1 d . . . . .
C72 C 0.3810(2) 0.38931(18) 0.4081(2) 0.0143(8) Uani 1 1 d . . . . .
C73 C 0.3947(3) 0.49581(19) 0.31838(19) 0.0170(8) Uani 1 1 d . . . . .
C74 C 0.3260(3) 0.5348(2) 0.2958(2) 0.0223(9) Uani 1 1 d . . . . .
H74 H 0.276090 0.513868 0.275310 0.027 Uiso 1 1 calc R U . . .
C75 C 0.3294(3) 0.6042(2) 0.3027(2) 0.0248(10) Uani 1 1 d . . . . .
H75 H 0.282062 0.630820 0.287377 0.030 Uiso 1 1 calc R U . . .
C76 C 0.4027(3) 0.6342(2) 0.3323(2) 0.0274(11) Uani 1 1 d . . . . .
H76 H 0.405287 0.681559 0.337705 0.033 Uiso 1 1 calc R U . . .
C77 C 0.4710(3) 0.5964(2) 0.3538(2) 0.0255(10) Uani 1 1 d . . . . .
H77 H 0.521003 0.617778 0.373243 0.031 Uiso 1 1 calc R U . . .
C78 C 0.4684(3) 0.5267(2) 0.3476(2) 0.0209(9) Uani 1 1 d . . . . .
H78 H 0.516002 0.500570 0.363095 0.025 Uiso 1 1 calc R U . . .
C79 C 0.1902(3) 0.2624(2) 0.3929(2) 0.0175(9) Uani 1 1 d . . . . .
C80 C 0.2484(3) 0.2178(2) 0.4260(2) 0.0203(9) Uani 1 1 d . . . . .
H80 H 0.302862 0.232910 0.442049 0.024 Uiso 1 1 calc R U . . .
C81 C 0.2279(3) 0.1513(2) 0.4359(2) 0.0243(9) Uani 1 1 d . . . . .
H81 H 0.268075 0.121085 0.458658 0.029 Uiso 1 1 calc R U . . .
C82 C 0.1486(3) 0.1294(2) 0.4123(2) 0.0251(10) Uani 1 1 d . . . . .
H82 H 0.134229 0.084069 0.419058 0.030 Uiso 1 1 calc R U . . .
C83 C 0.0907(3) 0.1730(2) 0.3790(2) 0.0254(10) Uani 1 1 d . . . . .
H83 H 0.036325 0.157706 0.363022 0.030 Uiso 1 1 calc R U . . .
C84 C 0.1111(3) 0.2388(2) 0.3688(2) 0.0218(9) Uani 1 1 d . . . . .
H84 H 0.070825 0.268411 0.345030 0.026 Uiso 1 1 calc R U . . .
C85 C 0.1372(2) 0.40064(19) 0.3962(2) 0.0173(8) Uani 1 1 d . . . . .
C86 C 0.0978(3) 0.4464(2) 0.3488(2) 0.0232(9) Uani 1 1 d . . . . .
H86 H 0.111797 0.448702 0.304450 0.028 Uiso 1 1 calc R U . . .
C87 C 0.0381(3) 0.4888(2) 0.3660(2) 0.0296(10) Uani 1 1 d . . . . .
H87 H 0.011055 0.519976 0.333448 0.035 Uiso 1 1 calc R U . . .
C88 C 0.0180(3) 0.4853(2) 0.4308(2) 0.0295(11) Uani 1 1 d . . . . .
H88 H -0.022460 0.514588 0.442795 0.035 Uiso 1 1 calc R U . . .
C89 C 0.0564(3) 0.4398(2) 0.4778(2) 0.0239(9) Uani 1 1 d . . . . .
H89 H 0.041867 0.437365 0.521914 0.029 Uiso 1 1 calc R U . . .
C90 C 0.1165(2) 0.3971(2) 0.4612(2) 0.0193(9) Uani 1 1 d . . . . .
H90 H 0.143146 0.365904 0.493890 0.023 Uiso 1 1 calc R U . . .
C91 C 0.1214(3) 0.49443(19) 0.1561(2) 0.0177(9) Uani 1 1 d . . . . .
C92 C 0.1585(3) 0.5565(2) 0.1532(2) 0.0243(10) Uani 1 1 d . . . . .
H92 H 0.212081 0.559114 0.142366 0.029 Uiso 1 1 calc R U . . .
C93 C 0.1179(3) 0.6151(2) 0.1661(2) 0.0323(11) Uani 1 1 d . . . . .
H93 H 0.143868 0.657403 0.164537 0.039 Uiso 1 1 calc R U . . .
C94 C 0.0395(3) 0.6112(2) 0.1812(2) 0.0315(11) Uani 1 1 d . . . . .
H94 H 0.011382 0.651027 0.189649 0.038 Uiso 1 1 calc R U . . .
C95 C 0.0021(3) 0.5497(2) 0.1840(2) 0.0278(10) Uani 1 1 d . . . . .
H95 H -0.051966 0.547300 0.193862 0.033 Uiso 1 1 calc R U . . .
C96 C 0.0429(3) 0.4914(2) 0.1724(2) 0.0218(9) Uani 1 1 d . . . . .
H96 H 0.017435 0.449129 0.175626 0.026 Uiso 1 1 calc R U . . .
C97 C 0.3124(3) 0.26904(19) 0.1116(2) 0.0169(9) Uani 1 1 d . . . . .
C98 C 0.3955(3) 0.2637(2) 0.1398(2) 0.0220(9) Uani 1 1 d . . . . .
H98 H 0.411773 0.257707 0.187738 0.026 Uiso 1 1 calc R U . . .
C99 C 0.4544(3) 0.2672(2) 0.0981(3) 0.0272(10) Uani 1 1 d . . . . .
H99 H 0.510922 0.263278 0.117626 0.033 Uiso 1 1 calc R U . . .
C100 C 0.4313(3) 0.2762(2) 0.0287(2) 0.0262(10) Uani 1 1 d . . . . .
H100 H 0.471936 0.278879 0.000480 0.031 Uiso 1 1 calc R U . . .
C101 C 0.3493(3) 0.2815(2) -0.0002(2) 0.0246(10) Uani 1 1 d . . . . .
H101 H 0.333523 0.287709 -0.048171 0.030 Uiso 1 1 calc R U . . .
C102 C 0.2894(3) 0.27760(19) 0.0414(2) 0.0211(9) Uani 1 1 d . . . . .
H102 H 0.232990 0.280841 0.021655 0.025 Uiso 1 1 calc R U . . .
C103 C 0.4778(2) 0.3669(2) 0.3040(2) 0.0186(9) Uani 1 1 d . . . . .
C104 C 0.5235(3) 0.3939(2) 0.2582(2) 0.0252(10) Uani 1 1 d . . . . .
H104 H 0.510015 0.436689 0.238124 0.030 Uiso 1 1 calc R U . . .
C105 C 0.5898(3) 0.3573(2) 0.2419(2) 0.0317(11) Uani 1 1 d . . . . .
H105 H 0.621540 0.375345 0.210768 0.038 Uiso 1 1 calc R U . . .
C106 C 0.6088(3) 0.2958(3) 0.2704(3) 0.0370(12) Uani 1 1 d . . . . .
H106 H 0.653562 0.271271 0.258811 0.044 Uiso 1 1 calc R U . . .
C107 C 0.5638(3) 0.2689(2) 0.3159(3) 0.0357(12) Uani 1 1 d . . . . .
H107 H 0.577602 0.226085 0.335735 0.043 Uiso 1 1 calc R U . . .
C108 C 0.4980(3) 0.3045(2) 0.3328(2) 0.0258(10) Uani 1 1 d . . . . .
H108 H 0.466851 0.286087 0.364185 0.031 Uiso 1 1 calc R U . . .
C109 C 0.2500(3) 0.43747(18) 0.0918(2) 0.0171(9) Uani 1 1 d . . . . .
C110 C 0.2179(3) 0.4474(2) 0.0227(2) 0.0226(9) Uani 1 1 d . . . . .
H110 H 0.160204 0.448255 0.007381 0.027 Uiso 1 1 calc R U . . .
C111 C 0.2709(3) 0.4559(2) -0.0235(2) 0.0275(10) Uani 1 1 d . . . . .
H111 H 0.249301 0.462850 -0.070591 0.033 Uiso 1 1 calc R U . . .
C112 C 0.3550(3) 0.4544(2) -0.0017(2) 0.0264(10) Uani 1 1 d . . . . .
H112 H 0.390706 0.459409 -0.033936 0.032 Uiso 1 1 calc R U . . .
C113 C 0.3868(3) 0.4455(2) 0.0664(2) 0.0251(10) Uani 1 1 d . . . . .
H113 H 0.444590 0.445215 0.081294 0.030 Uiso 1 1 calc R U . . .
C114 C 0.3351(3) 0.4371(2) 0.1134(2) 0.0205(9) Uani 1 1 d . . . . .
H114 H 0.357423 0.431100 0.160509 0.025 Uiso 1 1 calc R U . . .
C115 C 0.1150(3) 0.35549(19) 0.1074(2) 0.0161(9) Uani 1 1 d . . . . .
C116 C -0.0058(3) 0.3235(2) 0.0405(2) 0.0204(9) Uani 1 1 d . . . . .
C117 C 0.0196(3) 0.2557(2) 0.0452(2) 0.0244(10) Uani 1 1 d . . . . .
C118 C 0.1404(3) 0.2864(2) 0.1139(2) 0.0167(9) Uani 1 1 d . . . . .
C119 C 0.2349(2) 0.1743(2) 0.1856(2) 0.0178(9) Uani 1 1 d . . . . .
C120 C 0.2411(3) 0.1529(2) 0.2527(2) 0.0235(9) Uani 1 1 d . . . . .
H120 H 0.240460 0.184601 0.288369 0.028 Uiso 1 1 calc R U . . .
C121 C 0.2482(3) 0.0847(2) 0.2677(2) 0.0288(10) Uani 1 1 d . . . . .
H121 H 0.251719 0.069937 0.313672 0.035 Uiso 1 1 calc R U . . .
C122 C 0.2503(3) 0.0384(2) 0.2165(2) 0.0271(10) Uani 1 1 d . . . . .
H122 H 0.256869 -0.007955 0.227202 0.032 Uiso 1 1 calc R U . . .
C123 C 0.2426(3) 0.0598(2) 0.1493(2) 0.0279(10) Uani 1 1 d . . . . .
H123 H 0.242822 0.027842 0.113847 0.034 Uiso 1 1 calc R U . . .
C124 C 0.2346(3) 0.1273(2) 0.1335(2) 0.0243(9) Uani 1 1 d . . . . .
H124 H 0.229035 0.141658 0.087244 0.029 Uiso 1 1 calc R U . . .
C125 C -0.0849(3) 0.3394(2) 0.0046(2) 0.0253(10) Uani 1 1 d . . . . .
H125 H -0.102781 0.384746 0.000960 0.030 Uiso 1 1 calc R U . . .
C126 C -0.1355(3) 0.2897(2) -0.0250(2) 0.0322(11) Uani 1 1 d . . . . .
H126 H -0.189408 0.300318 -0.047681 0.039 Uiso 1 1 calc R U . . .
C127 C -0.1085(3) 0.2225(2) -0.0221(3) 0.0389(13) Uani 1 1 d . . . . .
H127 H -0.143763 0.188474 -0.044238 0.047 Uiso 1 1 calc R U . . .
C128 C -0.0328(3) 0.2059(2) 0.0119(3) 0.0397(13) Uani 1 1 d . . . . .
H128 H -0.015161 0.160509 0.013166 0.048 Uiso 1 1 calc R U . . .
N5 N 0.3071(2) 0.35752(16) 0.49701(17) 0.0173(8) Uani 1 1 d . . . . .
N6 N 0.4493(2) 0.40289(17) 0.45098(17) 0.0180(7) Uani 1 1 d . . . . .
N7 N 0.0440(2) 0.37338(17) 0.07062(18) 0.0182(8) Uani 1 1 d . . . . .
N8 N 0.0948(2) 0.23809(17) 0.08242(19) 0.0235(8) Uani 1 1 d . . . . .
P5 P 0.21476(6) 0.34677(5) 0.36938(5) 0.0147(2) Uani 1 1 d . . . . .
P6 P 0.38225(6) 0.40522(5) 0.31658(5) 0.0148(2) Uani 1 1 d . . . . .
P7 P 0.18311(7) 0.41972(5) 0.15296(5) 0.0150(2) Uani 1 1 d . . . . .
P8 P 0.23870(7) 0.26409(5) 0.16960(5) 0.0164(2) Uani 1 1 d . . . . .
Ag2 Ag 0.25188(2) 0.35786(2) 0.25535(2) 0.01508(7) Uani 1 1 d . . . . .
C129 C 0.3271(3) 0.0625(2) 0.9491(2) 0.0316(11) Uani 1 1 d . . . . .
H129 H 0.323421 0.095001 0.910246 0.038 Uiso 1 1 calc R U . . .
Cl1 Cl 0.38135(7) -0.00910(6) 0.92973(6) 0.0355(3) Uani 1 1 d . . . . .
Cl2 Cl 0.22702(7) 0.04026(7) 0.95927(7) 0.0383(3) Uani 1 1 d . . . . .
Cl3 Cl 0.37923(8) 0.10121(6) 1.02391(8) 0.0448(3) Uani 1 1 d . . . . .
C130 C 0.1197(3) 0.1764(2) 0.6231(2) 0.0273(10) Uani 1 1 d . . . . .
H130 H 0.158379 0.173274 0.667738 0.033 Uiso 1 1 calc R U . . .
Cl4 Cl 0.16023(9) 0.23275(6) 0.56953(7) 0.0405(3) Uani 1 1 d . . . . .
Cl5 Cl 0.02387(8) 0.20484(7) 0.63852(7) 0.0432(3) Uani 1 1 d . . . . .
Cl6 Cl 0.10927(9) 0.09643(6) 0.58539(7) 0.0446(3) Uani 1 1 d . . . . .
C131 C 0.7511(3) 0.5520(2) 0.3631(2) 0.0299(10) Uani 1 1 d . . . . .
H131 H 0.729989 0.581085 0.397202 0.036 Uiso 1 1 calc R U . . .
Cl7 Cl 0.82861(7) 0.59590(6) 0.33085(6) 0.0352(3) Uani 1 1 d . . . . .
Cl8 Cl 0.79047(10) 0.47868(7) 0.40347(8) 0.0555(4) Uani 1 1 d . . . . .
Cl9 Cl 0.67005(9) 0.53333(10) 0.29648(8) 0.0680(5) Uani 1 1 d . . . . .
C132 C 0.8634(3) 0.6625(2) 0.6820(2) 0.0311(11) Uani 1 1 d . . . . .
H132 H 0.858341 0.651038 0.632415 0.037 Uiso 1 1 calc R U . . .
Cl10 Cl 0.96466(8) 0.69126(7) 0.71200(7) 0.0383(3) Uani 1 1 d . . . . .
Cl11 Cl 0.79312(8) 0.72574(7) 0.68996(9) 0.0531(4) Uani 1 1 d . . . . .
Cl12 Cl 0.84363(9) 0.58998(6) 0.72614(7) 0.0461(3) Uani 1 1 d . . . . .
F1 F 0.74607(19) 0.60649(16) 0.55215(17) 0.0495(8) Uani 1 1 d . . . . .
F2 F 0.6420(2) 0.67500(14) 0.57099(17) 0.0486(8) Uani 1 1 d . . . . .
F3 F 0.55129(17) 0.60534(15) 0.50959(15) 0.0431(7) Uani 1 1 d . . . . .
F4 F 0.65363(18) 0.53772(15) 0.49129(16) 0.0456(7) Uani 1 1 d . . . . .
F5 F 0.6411(2) 0.56554(14) 0.59890(15) 0.0453(7) Uani 1 1 d . . . . .
F6 F 0.65626(19) 0.64710(16) 0.46297(15) 0.0493(8) Uani 1 1 d . . . . .
P9 P 0.64816(8) 0.60647(6) 0.53130(6) 0.0267(3) Uani 1 1 d . . . . .
F7 F 0.3366(2) 0.20004(16) 0.85084(14) 0.0516(8) Uani 1 1 d . . . . .
F8 F 0.3861(2) 0.11699(18) 0.79257(18) 0.0572(9) Uani 1 1 d . . . . .
F9 F 0.28768(16) 0.13613(14) 0.70118(13) 0.0332(6) Uani 1 1 d . . . . .
F10 F 0.3701(2) 0.22100(16) 0.74666(16) 0.0509(8) Uani 1 1 d . . . . .
F11 F 0.2534(2) 0.11679(15) 0.80428(15) 0.0448(8) Uani 1 1 d . . . . .
F12 F 0.23796(18) 0.22006(14) 0.75863(15) 0.0440(7) Uani 1 1 d . . . . .
P10 P 0.31264(8) 0.16869(6) 0.77560(6) 0.0296(3) 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
C1 N1 1.354(5) . ?
C1 C6 1.417(6) . ?
C1 C2 1.425(6) . ?
C2 N2 1.369(5) . ?
C2 C3 1.408(6) . ?
C3 C4 1.362(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.418(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.363(6) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 N1 1.332(5) . ?
C7 C8 1.426(6) . ?
C7 P1 1.844(4) . ?
C8 N2 1.319(5) . ?
C8 P2 1.855(4) . ?
C9 C14 1.373(6) . ?
C9 C10 1.396(6) . ?
C9 P2 1.815(4) . ?
C10 C11 1.374(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.367(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.386(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.379(6) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.392(6) . ?
C15 C16 1.396(6) . ?
C15 P1 1.808(4) . ?
C16 C17 1.383(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.369(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(6) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.388(6) . ?
C21 C26 1.395(6) . ?
C21 P1 1.825(4) . ?
C22 C23 1.380(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.392(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.384(6) . ?
C27 C28 1.390(6) . ?
C27 P3 1.815(4) . ?
C28 C29 1.392(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.369(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.379(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.377(6) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.388(6) . ?
C33 C34 1.407(6) . ?
C33 P4 1.809(4) . ?
C34 C35 1.378(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.379(7) . ?
C36 H36 0.9500 . ?
C37 C38 1.392(6) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.388(6) . ?
C39 C44 1.393(6) . ?
C39 P2 1.817(4) . ?
C40 C41 1.387(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.383(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.381(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.381(6) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.387(6) . ?
C45 C50 1.394(6) . ?
C45 P3 1.816(4) . ?
C46 C47 1.396(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.374(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.382(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.385(6) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 N3 1.323(5) . ?
C51 C54 1.437(6) . ?
C51 P3 1.843(4) . ?
C52 N3 1.362(5) . ?
C52 C53 1.407(6) . ?
C52 C61 1.416(6) . ?
C53 N4 1.369(5) . ?
C53 C64 1.410(6) . ?
C54 N4 1.317(5) . ?
C54 P4 1.837(4) . ?
C55 C56 1.383(6) . ?
C55 C60 1.396(6) . ?
C55 P4 1.826(4) . ?
C56 C57 1.394(6) . ?
C56 H56 0.9500 . ?
C57 C58 1.386(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.375(6) . ?
C58 H58 0.9500 . ?
C59 C60 1.394(6) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.359(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.404(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.367(6) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
P1 Ag1 2.4908(10) . ?
P2 Ag1 2.4612(11) . ?
P3 Ag1 2.4857(11) . ?
P4 Ag1 2.5045(10) . ?
C65 N6 1.368(5) . ?
C65 C66 1.411(6) . ?
C65 C70 1.418(6) . ?
C66 C67 1.368(7) . ?
C66 H66 0.9500 . ?
C67 C68 1.401(7) . ?
C67 H67 0.9500 . ?
C68 C69 1.374(6) . ?
C68 H68 0.9500 . ?
C69 C70 1.414(6) . ?
C69 H69 0.9500 . ?
C70 N5 1.361(5) . ?
C71 N5 1.325(5) . ?
C71 C72 1.423(6) . ?
C71 P5 1.852(4) . ?
C72 N6 1.317(5) . ?
C72 P6 1.847(4) . ?
C73 C74 1.385(6) . ?
C73 C78 1.398(6) . ?
C73 P6 1.817(4) . ?
C74 C75 1.392(6) . ?
C74 H74 0.9500 . ?
C75 C76 1.386(7) . ?
C75 H75 0.9500 . ?
C76 C77 1.364(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.394(6) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C80 1.388(6) . ?
C79 C84 1.395(6) . ?
C79 P5 1.810(4) . ?
C80 C81 1.391(6) . ?
C80 H80 0.9500 . ?
C81 C82 1.385(6) . ?
C81 H81 0.9500 . ?
C82 C83 1.374(6) . ?
C82 H82 0.9500 . ?
C83 C84 1.379(6) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C86 1.388(6) . ?
C85 C90 1.394(6) . ?
C85 P5 1.824(4) . ?
C86 C87 1.388(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.386(7) . ?
C87 H87 0.9500 . ?
C88 C89 1.375(6) . ?
C88 H88 0.9500 . ?
C89 C90 1.390(6) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C92 1.388(6) . ?
C91 C96 1.394(6) . ?
C91 P7 1.813(4) . ?
C92 C93 1.392(6) . ?
C92 H92 0.9500 . ?
C93 C94 1.386(7) . ?
C93 H93 0.9500 . ?
C94 C95 1.379(7) . ?
C94 H94 0.9500 . ?
C95 C96 1.383(6) . ?
C95 H95 0.9500 . ?
C96 H96 0.9500 . ?
C97 C102 1.388(6) . ?
C97 C98 1.393(6) . ?
C97 P8 1.822(4) . ?
C98 C99 1.388(6) . ?
C98 H98 0.9500 . ?
C99 C100 1.376(7) . ?
C99 H99 0.9500 . ?
C100 C101 1.382(7) . ?
C100 H100 0.9500 . ?
C101 C102 1.400(6) . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?
C103 C108 1.385(6) . ?
C103 C104 1.390(6) . ?
C103 P6 1.813(4) . ?
C104 C105 1.403(6) . ?
C104 H104 0.9500 . ?
C105 C106 1.363(7) . ?
C105 H105 0.9500 . ?
C106 C107 1.378(7) . ?
C106 H106 0.9500 . ?
C107 C108 1.389(6) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C109 C110 1.396(6) . ?
C109 C114 1.398(6) . ?
C109 P7 1.816(4) . ?
C110 C111 1.388(6) . ?
C110 H110 0.9500 . ?
C111 C112 1.382(7) . ?
C111 H111 0.9500 . ?
C112 C113 1.374(7) . ?
C112 H112 0.9500 . ?
C113 C114 1.384(6) . ?
C113 H113 0.9500 . ?
C114 H114 0.9500 . ?
C115 N7 1.319(5) . ?
C115 C118 1.440(6) . ?
C115 P7 1.835(4) . ?
C116 N7 1.361(5) . ?
C116 C125 1.412(6) . ?
C116 C117 1.413(6) . ?
C117 N8 1.377(6) . ?
C117 C128 1.404(6) . ?
C118 N8 1.312(5) . ?
C118 P8 1.852(4) . ?
C119 C120 1.385(6) . ?
C119 C124 1.395(6) . ?
C119 P8 1.821(4) . ?
C120 C121 1.392(6) . ?
C120 H120 0.9500 . ?
C121 C122 1.378(6) . ?
C121 H121 0.9500 . ?
C122 C123 1.384(6) . ?
C122 H122 0.9500 . ?
C123 C124 1.383(6) . ?
C123 H123 0.9500 . ?
C124 H124 0.9500 . ?
C125 C126 1.362(6) . ?
C125 H125 0.9500 . ?
C126 C127 1.409(7) . ?
C126 H126 0.9500 . ?
C127 C128 1.355(7) . ?
C127 H127 0.9500 . ?
C128 H128 0.9500 . ?
P5 Ag2 2.4579(11) . ?
P6 Ag2 2.4701(11) . ?
P7 Ag2 2.4759(11) . ?
P8 Ag2 2.5111(11) . ?
C129 Cl3 1.759(5) . ?
C129 Cl2 1.761(5) . ?
C129 Cl1 1.764(5) . ?
C129 H129 1.0000 . ?
C130 Cl6 1.755(5) . ?
C130 Cl4 1.760(5) . ?
C130 Cl5 1.762(5) . ?
C130 H130 1.0000 . ?
C131 Cl8 1.738(5) . ?
C131 Cl9 1.750(5) . ?
C131 Cl7 1.764(5) . ?
C131 H131 1.0000 . ?
C132 Cl11 1.741(5) . ?
C132 Cl12 1.750(5) . ?
C132 Cl10 1.773(5) . ?
C132 H132 1.0000 . ?
F1 P9 1.601(3) . ?
F2 P9 1.589(3) . ?
F3 P9 1.586(3) . ?
F4 P9 1.594(3) . ?
F5 P9 1.592(3) . ?
F6 P9 1.605(3) . ?
F7 P10 1.603(3) . ?
F8 P10 1.584(4) . ?
F9 P10 1.600(3) . ?
F10 P10 1.586(3) . ?
F11 P10 1.598(3) . ?
F12 P10 1.595(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
N1 C1 C6 119.5(4) . . ?
N1 C1 C2 121.6(4) . . ?
C6 C1 C2 118.9(4) . . ?
N2 C2 C3 119.8(4) . . ?
N2 C2 C1 120.2(3) . . ?
C3 C2 C1 119.9(4) . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.9(4) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 120.7(4) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C1 119.9(4) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
N1 C7 C8 121.6(4) . . ?
N1 C7 P1 117.4(3) . . ?
C8 C7 P1 121.0(3) . . ?
N2 C8 C7 122.0(3) . . ?
N2 C8 P2 117.7(3) . . ?
C7 C8 P2 120.2(3) . . ?
C14 C9 C10 118.8(4) . . ?
C14 C9 P2 122.8(3) . . ?
C10 C9 P2 118.0(3) . . ?
C11 C10 C9 120.3(4) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 119.6(4) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C9 C14 C13 120.7(4) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C20 C15 C16 119.0(4) . . ?
C20 C15 P1 122.1(3) . . ?
C16 C15 P1 118.0(3) . . ?
C17 C16 C15 120.2(4) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.2(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 119.9(4) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 120.7(5) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C15 120.0(4) . . ?
C19 C20 H20 120.0 . . ?
C15 C20 H20 120.0 . . ?
C22 C21 C26 118.8(4) . . ?
C22 C21 P1 119.0(3) . . ?
C26 C21 P1 122.1(3) . . ?
C23 C22 C21 121.3(4) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C24 C23 C22 119.9(4) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 119.6(4) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C26 120.8(4) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C25 C26 C21 119.6(4) . . ?
C25 C26 H26 120.2 . . ?
C21 C26 H26 120.2 . . ?
C32 C27 C28 119.7(4) . . ?
C32 C27 P3 118.7(3) . . ?
C28 C27 P3 121.5(3) . . ?
C27 C28 C29 119.0(4) . . ?
C27 C28 H28 120.5 . . ?
C29 C28 H28 120.5 . . ?
C30 C29 C28 121.1(4) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C29 C30 C31 119.5(4) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C32 C31 C30 120.5(4) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C27 120.2(4) . . ?
C31 C32 H32 119.9 . . ?
C27 C32 H32 119.9 . . ?
C38 C33 C34 119.1(4) . . ?
C38 C33 P4 120.3(3) . . ?
C34 C33 P4 119.8(3) . . ?
C35 C34 C33 119.8(4) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 120.7(4) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C37 C36 C35 119.8(4) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C36 C37 C38 120.1(4) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 120.4(4) . . ?
C33 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C40 C39 C44 119.3(4) . . ?
C40 C39 P2 118.4(3) . . ?
C44 C39 P2 122.1(3) . . ?
C41 C40 C39 120.2(4) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C42 C41 C40 119.8(4) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C43 C42 C41 120.3(4) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 119.9(4) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 120.3(4) . . ?
C43 C44 H44 119.8 . . ?
C39 C44 H44 119.8 . . ?
C46 C45 C50 119.9(4) . . ?
C46 C45 P3 123.3(3) . . ?
C50 C45 P3 116.8(3) . . ?
C45 C46 C47 119.5(4) . . ?
C45 C46 H46 120.3 . . ?
C47 C46 H46 120.3 . . ?
C48 C47 C46 120.3(4) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C49 120.5(4) . . ?
C47 C48 H48 119.7 . . ?
C49 C48 H48 119.7 . . ?
C48 C49 C50 119.8(4) . . ?
C48 C49 H49 120.1 . . ?
C50 C49 H49 120.1 . . ?
C49 C50 C45 120.1(4) . . ?
C49 C50 H50 120.0 . . ?
C45 C50 H50 120.0 . . ?
N3 C51 C54 121.4(4) . . ?
N3 C51 P3 119.2(3) . . ?
C54 C51 P3 119.4(3) . . ?
N3 C52 C53 121.8(4) . . ?
N3 C52 C61 119.5(4) . . ?
C53 C52 C61 118.6(4) . . ?
N4 C53 C52 121.1(4) . . ?
N4 C53 C64 118.7(4) . . ?
C52 C53 C64 120.2(4) . . ?
N4 C54 C51 122.5(4) . . ?
N4 C54 P4 119.1(3) . . ?
C51 C54 P4 118.5(3) . . ?
C56 C55 C60 119.8(4) . . ?
C56 C55 P4 118.5(3) . . ?
C60 C55 P4 121.4(3) . . ?
C55 C56 C57 120.5(4) . . ?
C55 C56 H56 119.7 . . ?
C57 C56 H56 119.7 . . ?
C58 C57 C56 119.4(4) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C59 C58 C57 120.5(4) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 120.5(4) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 H59 119.8 . . ?
C59 C60 C55 119.4(4) . . ?
C59 C60 H60 120.3 . . ?
C55 C60 H60 120.3 . . ?
C62 C61 C52 120.2(4) . . ?
C62 C61 H61 119.9 . . ?
C52 C61 H61 119.9 . . ?
C61 C62 C63 120.9(4) . . ?
C61 C62 H62 119.6 . . ?
C63 C62 H62 119.6 . . ?
C64 C63 C62 120.5(4) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C63 C64 C53 119.5(4) . . ?
C63 C64 H64 120.2 . . ?
C53 C64 H64 120.2 . . ?
C7 N1 C1 117.0(3) . . ?
C8 N2 C2 117.5(3) . . ?
C51 N3 C52 116.7(3) . . ?
C54 N4 C53 116.4(3) . . ?
C15 P1 C21 107.92(19) . . ?
C15 P1 C7 103.81(18) . . ?
C21 P1 C7 101.08(17) . . ?
C15 P1 Ag1 120.91(13) . . ?
C21 P1 Ag1 115.69(14) . . ?
C7 P1 Ag1 104.70(13) . . ?
C9 P2 C39 104.47(19) . . ?
C9 P2 C8 102.13(18) . . ?
C39 P2 C8 105.16(18) . . ?
C9 P2 Ag1 120.29(13) . . ?
C39 P2 Ag1 116.83(13) . . ?
C8 P2 Ag1 106.07(13) . . ?
C27 P3 C45 106.00(19) . . ?
C27 P3 C51 105.10(18) . . ?
C45 P3 C51 103.07(19) . . ?
C27 P3 Ag1 121.61(14) . . ?
C45 P3 Ag1 115.66(13) . . ?
C51 P3 Ag1 103.26(13) . . ?
C33 P4 C55 106.96(18) . . ?
C33 P4 C54 105.94(19) . . ?
C55 P4 C54 100.94(18) . . ?
C33 P4 Ag1 127.11(13) . . ?
C55 P4 Ag1 110.09(13) . . ?
C54 P4 Ag1 102.59(13) . . ?
P2 Ag1 P3 125.43(4) . . ?
P2 Ag1 P1 84.08(3) . . ?
P3 Ag1 P1 127.89(4) . . ?
P2 Ag1 P4 130.62(4) . . ?
P3 Ag1 P4 80.35(3) . . ?
P1 Ag1 P4 114.21(3) . . ?
N6 C65 C66 118.9(4) . . ?
N6 C65 C70 120.6(4) . . ?
C66 C65 C70 120.4(4) . . ?
C67 C66 C65 118.6(4) . . ?
C67 C66 H66 120.7 . . ?
C65 C66 H66 120.7 . . ?
C66 C67 C68 121.4(4) . . ?
C66 C67 H67 119.3 . . ?
C68 C67 H67 119.3 . . ?
C69 C68 C67 121.3(4) . . ?
C69 C68 H68 119.3 . . ?
C67 C68 H68 119.3 . . ?
C68 C69 C70 118.8(4) . . ?
C68 C69 H69 120.6 . . ?
C70 C69 H69 120.6 . . ?
N5 C70 C69 119.4(4) . . ?
N5 C70 C65 121.2(4) . . ?
C69 C70 C65 119.4(4) . . ?
N5 C71 C72 122.1(4) . . ?
N5 C71 P5 117.3(3) . . ?
C72 C71 P5 120.6(3) . . ?
N6 C72 C71 121.8(4) . . ?
N6 C72 P6 116.3(3) . . ?
C71 C72 P6 121.8(3) . . ?
C74 C73 C78 119.6(4) . . ?
C74 C73 P6 117.8(3) . . ?
C78 C73 P6 122.2(3) . . ?
C73 C74 C75 120.6(4) . . ?
C73 C74 H74 119.7 . . ?
C75 C74 H74 119.7 . . ?
C76 C75 C74 119.2(4) . . ?
C76 C75 H75 120.4 . . ?
C74 C75 H75 120.4 . . ?
C77 C76 C75 120.7(4) . . ?
C77 C76 H76 119.6 . . ?
C75 C76 H76 119.6 . . ?
C76 C77 C78 120.7(4) . . ?
C76 C77 H77 119.6 . . ?
C78 C77 H77 119.6 . . ?
C77 C78 C73 119.2(4) . . ?
C77 C78 H78 120.4 . . ?
C73 C78 H78 120.4 . . ?
C80 C79 C84 118.6(4) . . ?
C80 C79 P5 123.2(3) . . ?
C84 C79 P5 117.7(3) . . ?
C79 C80 C81 120.7(4) . . ?
C79 C80 H80 119.6 . . ?
C81 C80 H80 119.6 . . ?
C82 C81 C80 119.5(4) . . ?
C82 C81 H81 120.2 . . ?
C80 C81 H81 120.2 . . ?
C83 C82 C81 120.2(4) . . ?
C83 C82 H82 119.9 . . ?
C81 C82 H82 119.9 . . ?
C82 C83 C84 120.3(4) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 H83 119.9 . . ?
C83 C84 C79 120.6(4) . . ?
C83 C84 H84 119.7 . . ?
C79 C84 H84 119.7 . . ?
C86 C85 C90 119.9(4) . . ?
C86 C85 P5 117.3(3) . . ?
C90 C85 P5 122.8(3) . . ?
C85 C86 C87 120.2(4) . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
C88 C87 C86 119.7(4) . . ?
C88 C87 H87 120.1 . . ?
C86 C87 H87 120.1 . . ?
C89 C88 C87 120.3(4) . . ?
C89 C88 H88 119.9 . . ?
C87 C88 H88 119.9 . . ?
C88 C89 C90 120.5(4) . . ?
C88 C89 H89 119.8 . . ?
C90 C89 H89 119.8 . . ?
C89 C90 C85 119.4(4) . . ?
C89 C90 H90 120.3 . . ?
C85 C90 H90 120.3 . . ?
C92 C91 C96 119.1(4) . . ?
C92 C91 P7 118.3(3) . . ?
C96 C91 P7 121.8(3) . . ?
C91 C92 C93 120.5(4) . . ?
C91 C92 H92 119.7 . . ?
C93 C92 H92 119.7 . . ?
C94 C93 C92 119.6(4) . . ?
C94 C93 H93 120.2 . . ?
C92 C93 H93 120.2 . . ?
C95 C94 C93 120.2(4) . . ?
C95 C94 H94 119.9 . . ?
C93 C94 H94 119.9 . . ?
C94 C95 C96 120.2(4) . . ?
C94 C95 H95 119.9 . . ?
C96 C95 H95 119.9 . . ?
C95 C96 C91 120.4(4) . . ?
C95 C96 H96 119.8 . . ?
C91 C96 H96 119.8 . . ?
C102 C97 C98 119.2(4) . . ?
C102 C97 P8 123.0(3) . . ?
C98 C97 P8 117.8(3) . . ?
C99 C98 C97 120.3(4) . . ?
C99 C98 H98 119.8 . . ?
C97 C98 H98 119.8 . . ?
C100 C99 C98 120.2(4) . . ?
C100 C99 H99 119.9 . . ?
C98 C99 H99 119.9 . . ?
C99 C100 C101 120.4(4) . . ?
C99 C100 H100 119.8 . . ?
C101 C100 H100 119.8 . . ?
C100 C101 C102 119.8(4) . . ?
C100 C101 H101 120.1 . . ?
C102 C101 H101 120.1 . . ?
C97 C102 C101 120.1(4) . . ?
C97 C102 H102 119.9 . . ?
C101 C102 H102 119.9 . . ?
C108 C103 C104 119.9(4) . . ?
C108 C103 P6 118.3(3) . . ?
C104 C103 P6 121.1(3) . . ?
C103 C104 C105 119.1(4) . . ?
C103 C104 H104 120.4 . . ?
C105 C104 H104 120.4 . . ?
C106 C105 C104 120.3(5) . . ?
C106 C105 H105 119.8 . . ?
C104 C105 H105 119.8 . . ?
C105 C106 C107 120.7(5) . . ?
C105 C106 H106 119.6 . . ?
C107 C106 H106 119.6 . . ?
C106 C107 C108 119.8(5) . . ?
C106 C107 H107 120.1 . . ?
C108 C107 H107 120.1 . . ?
C103 C108 C107 120.1(4) . . ?
C103 C108 H108 119.9 . . ?
C107 C108 H108 119.9 . . ?
C110 C109 C114 119.4(4) . . ?
C110 C109 P7 120.9(3) . . ?
C114 C109 P7 119.6(3) . . ?
C111 C110 C109 119.4(4) . . ?
C111 C110 H110 120.3 . . ?
C109 C110 H110 120.3 . . ?
C112 C111 C110 120.7(4) . . ?
C112 C111 H111 119.7 . . ?
C110 C111 H111 119.7 . . ?
C113 C112 C111 120.1(4) . . ?
C113 C112 H112 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C113 C114 120.3(4) . . ?
C112 C113 H113 119.9 . . ?
C114 C113 H113 119.9 . . ?
C113 C114 C109 120.2(4) . . ?
C113 C114 H114 119.9 . . ?
C109 C114 H114 119.9 . . ?
N7 C115 C118 121.8(4) . . ?
N7 C115 P7 119.6(3) . . ?
C118 C115 P7 118.6(3) . . ?
N7 C116 C125 119.6(4) . . ?
N7 C116 C117 121.3(4) . . ?
C125 C116 C117 119.1(4) . . ?
N8 C117 C128 119.8(4) . . ?
N8 C117 C116 120.6(4) . . ?
C128 C117 C116 119.5(4) . . ?
N8 C118 C115 121.6(4) . . ?
N8 C118 P8 118.7(3) . . ?
C115 C118 P8 119.7(3) . . ?
C120 C119 C124 119.8(4) . . ?
C120 C119 P8 118.1(3) . . ?
C124 C119 P8 121.7(3) . . ?
C119 C120 C121 119.7(4) . . ?
C119 C120 H120 120.2 . . ?
C121 C120 H120 120.2 . . ?
C122 C121 C120 120.5(4) . . ?
C122 C121 H121 119.7 . . ?
C120 C121 H121 119.7 . . ?
C121 C122 C123 119.7(4) . . ?
C121 C122 H122 120.2 . . ?
C123 C122 H122 120.2 . . ?
C124 C123 C122 120.5(4) . . ?
C124 C123 H123 119.7 . . ?
C122 C123 H123 119.7 . . ?
C123 C124 C119 119.7(4) . . ?
C123 C124 H124 120.1 . . ?
C119 C124 H124 120.1 . . ?
C126 C125 C116 120.0(4) . . ?
C126 C125 H125 120.0 . . ?
C116 C125 H125 120.0 . . ?
C125 C126 C127 120.5(4) . . ?
C125 C126 H126 119.8 . . ?
C127 C126 H126 119.8 . . ?
C128 C127 C126 120.7(4) . . ?
C128 C127 H127 119.7 . . ?
C126 C127 H127 119.7 . . ?
C127 C128 C117 120.1(4) . . ?
C127 C128 H128 119.9 . . ?
C117 C128 H128 119.9 . . ?
C71 N5 C70 116.9(4) . . ?
C72 N6 C65 117.4(4) . . ?
C115 N7 C116 117.2(4) . . ?
C118 N8 C117 117.4(4) . . ?
C79 P5 C85 105.63(19) . . ?
C79 P5 C71 103.08(18) . . ?
C85 P5 C71 103.82(18) . . ?
C79 P5 Ag2 115.18(13) . . ?
C85 P5 Ag2 121.29(14) . . ?
C71 P5 Ag2 105.78(13) . . ?
C103 P6 C73 108.79(19) . . ?
C103 P6 C72 102.97(18) . . ?
C73 P6 C72 99.91(17) . . ?
C103 P6 Ag2 118.66(13) . . ?
C73 P6 Ag2 118.39(14) . . ?
C72 P6 Ag2 104.96(13) . . ?
C91 P7 C109 106.08(18) . . ?
C91 P7 C115 106.77(19) . . ?
C109 P7 C115 101.58(19) . . ?
C91 P7 Ag2 124.13(13) . . ?
C109 P7 Ag2 113.52(14) . . ?
C115 P7 Ag2 102.16(13) . . ?
C119 P8 C97 102.21(18) . . ?
C119 P8 C118 106.60(18) . . ?
C97 P8 C118 103.08(19) . . ?
C119 P8 Ag2 127.91(14) . . ?
C97 P8 Ag2 113.58(13) . . ?
C118 P8 Ag2 100.85(13) . . ?
P5 Ag2 P6 85.40(4) . . ?
P5 Ag2 P7 130.34(4) . . ?
P6 Ag2 P7 116.68(4) . . ?
P5 Ag2 P8 123.47(4) . . ?
P6 Ag2 P8 125.57(4) . . ?
P7 Ag2 P8 80.89(3) . . ?
Cl3 C129 Cl2 110.1(3) . . ?
Cl3 C129 Cl1 110.2(3) . . ?
Cl2 C129 Cl1 110.3(3) . . ?
Cl3 C129 H129 108.7 . . ?
Cl2 C129 H129 108.7 . . ?
Cl1 C129 H129 108.7 . . ?
Cl6 C130 Cl4 110.0(2) . . ?
Cl6 C130 Cl5 110.1(3) . . ?
Cl4 C130 Cl5 110.5(2) . . ?
Cl6 C130 H130 108.8 . . ?
Cl4 C130 H130 108.8 . . ?
Cl5 C130 H130 108.8 . . ?
Cl8 C131 Cl9 110.2(3) . . ?
Cl8 C131 Cl7 110.3(3) . . ?
Cl9 C131 Cl7 110.0(3) . . ?
Cl8 C131 H131 108.8 . . ?
Cl9 C131 H131 108.8 . . ?
Cl7 C131 H131 108.8 . . ?
Cl11 C132 Cl12 111.5(3) . . ?
Cl11 C132 Cl10 110.1(3) . . ?
Cl12 C132 Cl10 110.4(3) . . ?
Cl11 C132 H132 108.3 . . ?
Cl12 C132 H132 108.3 . . ?
Cl10 C132 H132 108.3 . . ?
F3 P9 F2 89.80(17) . . ?
F3 P9 F5 90.04(17) . . ?
F2 P9 F5 90.10(17) . . ?
F3 P9 F4 89.77(17) . . ?
F2 P9 F4 179.6(2) . . ?
F5 P9 F4 89.92(17) . . ?
F3 P9 F1 178.89(19) . . ?
F2 P9 F1 91.29(18) . . ?
F5 P9 F1 90.21(18) . . ?
F4 P9 F1 89.14(17) . . ?
F3 P9 F6 90.50(17) . . ?
F2 P9 F6 90.44(18) . . ?
F5 P9 F6 179.24(19) . . ?
F4 P9 F6 89.55(18) . . ?
F1 P9 F6 89.23(18) . . ?
F8 P10 F10 91.0(2) . . ?
F8 P10 F12 179.3(2) . . ?
F10 P10 F12 89.66(18) . . ?
F8 P10 F11 90.0(2) . . ?
F10 P10 F11 179.0(2) . . ?
F12 P10 F11 89.38(17) . . ?
F8 P10 F9 89.78(17) . . ?
F10 P10 F9 90.33(16) . . ?
F12 P10 F9 90.05(16) . . ?
F11 P10 F9 89.52(15) . . ?
F8 P10 F7 90.04(19) . . ?
F10 P10 F7 90.88(17) . . ?
F12 P10 F7 90.11(18) . . ?
F11 P10 F7 89.27(16) . . ?
F9 P10 F7 178.78(18) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 N2 -1.7(6) . . . . ?
C6 C1 C2 N2 177.3(4) . . . . ?
N1 C1 C2 C3 -179.6(4) . . . . ?
C6 C1 C2 C3 -0.5(6) . . . . ?
N2 C2 C3 C4 -176.2(4) . . . . ?
C1 C2 C3 C4 1.6(6) . . . . ?
C2 C3 C4 C5 -1.2(6) . . . . ?
C3 C4 C5 C6 -0.3(7) . . . . ?
C4 C5 C6 C1 1.4(7) . . . . ?
N1 C1 C6 C5 178.1(4) . . . . ?
C2 C1 C6 C5 -1.0(6) . . . . ?
N1 C7 C8 N2 -2.8(6) . . . . ?
P1 C7 C8 N2 176.2(3) . . . . ?
N1 C7 C8 P2 173.5(3) . . . . ?
P1 C7 C8 P2 -7.5(4) . . . . ?
C14 C9 C10 C11 -0.2(6) . . . . ?
P2 C9 C10 C11 -173.6(3) . . . . ?
C9 C10 C11 C12 -2.2(7) . . . . ?
C10 C11 C12 C13 2.7(7) . . . . ?
C11 C12 C13 C14 -0.9(8) . . . . ?
C10 C9 C14 C13 2.1(7) . . . . ?
P2 C9 C14 C13 175.1(4) . . . . ?
C12 C13 C14 C9 -1.5(8) . . . . ?
C20 C15 C16 C17 0.2(6) . . . . ?
P1 C15 C16 C17 -169.4(3) . . . . ?
C15 C16 C17 C18 -0.3(7) . . . . ?
C16 C17 C18 C19 0.2(7) . . . . ?
C17 C18 C19 C20 -0.1(7) . . . . ?
C18 C19 C20 C15 0.0(7) . . . . ?
C16 C15 C20 C19 0.0(6) . . . . ?
P1 C15 C20 C19 169.1(3) . . . . ?
C26 C21 C22 C23 0.3(6) . . . . ?
P1 C21 C22 C23 -175.4(3) . . . . ?
C21 C22 C23 C24 -0.4(6) . . . . ?
C22 C23 C24 C25 -0.1(7) . . . . ?
C23 C24 C25 C26 0.7(7) . . . . ?
C24 C25 C26 C21 -0.9(6) . . . . ?
C22 C21 C26 C25 0.4(6) . . . . ?
P1 C21 C26 C25 176.0(3) . . . . ?
C32 C27 C28 C29 0.2(6) . . . . ?
P3 C27 C28 C29 -175.9(3) . . . . ?
C27 C28 C29 C30 -0.6(7) . . . . ?
C28 C29 C30 C31 -0.4(7) . . . . ?
C29 C30 C31 C32 1.7(7) . . . . ?
C30 C31 C32 C27 -2.1(7) . . . . ?
C28 C27 C32 C31 1.1(6) . . . . ?
P3 C27 C32 C31 177.3(3) . . . . ?
C38 C33 C34 C35 -0.6(6) . . . . ?
P4 C33 C34 C35 -170.6(3) . . . . ?
C33 C34 C35 C36 1.2(7) . . . . ?
C34 C35 C36 C37 -1.7(7) . . . . ?
C35 C36 C37 C38 1.6(7) . . . . ?
C34 C33 C38 C37 0.5(6) . . . . ?
P4 C33 C38 C37 170.4(3) . . . . ?
C36 C37 C38 C33 -1.0(6) . . . . ?
C44 C39 C40 C41 -0.9(6) . . . . ?
P2 C39 C40 C41 -177.9(3) . . . . ?
C39 C40 C41 C42 0.2(6) . . . . ?
C40 C41 C42 C43 0.5(7) . . . . ?
C41 C42 C43 C44 -0.5(6) . . . . ?
C42 C43 C44 C39 -0.2(6) . . . . ?
C40 C39 C44 C43 0.9(6) . . . . ?
P2 C39 C44 C43 177.8(3) . . . . ?
C50 C45 C46 C47 0.1(6) . . . . ?
P3 C45 C46 C47 -178.6(3) . . . . ?
C45 C46 C47 C48 0.1(6) . . . . ?
C46 C47 C48 C49 -0.6(7) . . . . ?
C47 C48 C49 C50 1.0(7) . . . . ?
C48 C49 C50 C45 -0.9(7) . . . . ?
C46 C45 C50 C49 0.3(6) . . . . ?
P3 C45 C50 C49 179.1(3) . . . . ?
N3 C52 C53 N4 -5.0(6) . . . . ?
C61 C52 C53 N4 177.6(4) . . . . ?
N3 C52 C53 C64 174.5(4) . . . . ?
C61 C52 C53 C64 -2.9(6) . . . . ?
N3 C51 C54 N4 -2.4(6) . . . . ?
P3 C51 C54 N4 175.9(3) . . . . ?
N3 C51 C54 P4 177.5(3) . . . . ?
P3 C51 C54 P4 -4.2(5) . . . . ?
C60 C55 C56 C57 0.6(6) . . . . ?
P4 C55 C56 C57 -173.4(3) . . . . ?
C55 C56 C57 C58 -0.2(6) . . . . ?
C56 C57 C58 C59 -0.8(6) . . . . ?
C57 C58 C59 C60 1.5(6) . . . . ?
C58 C59 C60 C55 -1.1(6) . . . . ?
C56 C55 C60 C59 0.1(6) . . . . ?
P4 C55 C60 C59 173.9(3) . . . . ?
N3 C52 C61 C62 -175.7(4) . . . . ?
C53 C52 C61 C62 1.8(7) . . . . ?
C52 C61 C62 C63 0.6(7) . . . . ?
C61 C62 C63 C64 -1.9(7) . . . . ?
C62 C63 C64 C53 0.7(7) . . . . ?
N4 C53 C64 C63 -178.8(4) . . . . ?
C52 C53 C64 C63 1.7(6) . . . . ?
C8 C7 N1 C1 -0.2(5) . . . . ?
P1 C7 N1 C1 -179.2(3) . . . . ?
C6 C1 N1 C7 -176.7(4) . . . . ?
C2 C1 N1 C7 2.3(5) . . . . ?
C7 C8 N2 C2 3.3(5) . . . . ?
P2 C8 N2 C2 -173.1(3) . . . . ?
C3 C2 N2 C8 176.7(4) . . . . ?
C1 C2 N2 C8 -1.2(5) . . . . ?
C54 C51 N3 C52 1.7(6) . . . . ?
P3 C51 N3 C52 -176.6(3) . . . . ?
C53 C52 N3 C51 1.8(6) . . . . ?
C61 C52 N3 C51 179.3(4) . . . . ?
C51 C54 N4 C53 -0.7(6) . . . . ?
P4 C54 N4 C53 179.5(3) . . . . ?
C52 C53 N4 C54 4.1(6) . . . . ?
C64 C53 N4 C54 -175.4(4) . . . . ?
C20 C15 P1 C21 33.7(4) . . . . ?
C16 C15 P1 C21 -157.1(3) . . . . ?
C20 C15 P1 C7 140.4(3) . . . . ?
C16 C15 P1 C7 -50.3(3) . . . . ?
C20 C15 P1 Ag1 -102.7(3) . . . . ?
C16 C15 P1 Ag1 66.5(3) . . . . ?
C22 C21 P1 C15 -139.3(3) . . . . ?
C26 C21 P1 C15 45.1(4) . . . . ?
C22 C21 P1 C7 112.1(3) . . . . ?
C26 C21 P1 C7 -63.5(4) . . . . ?
C22 C21 P1 Ag1 -0.3(4) . . . . ?
C26 C21 P1 Ag1 -175.9(3) . . . . ?
N1 C7 P1 C15 -34.5(3) . . . . ?
C8 C7 P1 C15 146.4(3) . . . . ?
N1 C7 P1 C21 77.3(3) . . . . ?
C8 C7 P1 C21 -101.8(3) . . . . ?
N1 C7 P1 Ag1 -162.2(3) . . . . ?
C8 C7 P1 Ag1 18.7(3) . . . . ?
C14 C9 P2 C39 140.7(4) . . . . ?
C10 C9 P2 C39 -46.3(4) . . . . ?
C14 C9 P2 C8 31.3(4) . . . . ?
C10 C9 P2 C8 -155.6(3) . . . . ?
C14 C9 P2 Ag1 -85.6(4) . . . . ?
C10 C9 P2 Ag1 87.4(3) . . . . ?
C40 C39 P2 C9 136.6(3) . . . . ?
C44 C39 P2 C9 -40.3(4) . . . . ?
C40 C39 P2 C8 -116.2(3) . . . . ?
C44 C39 P2 C8 66.8(4) . . . . ?
C40 C39 P2 Ag1 1.0(4) . . . . ?
C44 C39 P2 Ag1 -175.9(3) . . . . ?
N2 C8 P2 C9 41.4(3) . . . . ?
C7 C8 P2 C9 -135.0(3) . . . . ?
N2 C8 P2 C39 -67.4(3) . . . . ?
C7 C8 P2 C39 116.1(3) . . . . ?
N2 C8 P2 Ag1 168.2(3) . . . . ?
C7 C8 P2 Ag1 -8.2(3) . . . . ?
C32 C27 P3 C45 -169.5(3) . . . . ?
C28 C27 P3 C45 6.7(4) . . . . ?
C32 C27 P3 C51 81.7(4) . . . . ?
C28 C27 P3 C51 -102.1(4) . . . . ?
C32 C27 P3 Ag1 -34.7(4) . . . . ?
C28 C27 P3 Ag1 141.5(3) . . . . ?
C46 C45 P3 C27 -96.2(4) . . . . ?
C50 C45 P3 C27 85.1(3) . . . . ?
C46 C45 P3 C51 14.0(4) . . . . ?
C50 C45 P3 C51 -164.7(3) . . . . ?
C46 C45 P3 Ag1 125.9(3) . . . . ?
C50 C45 P3 Ag1 -52.9(3) . . . . ?
N3 C51 P3 C27 25.0(4) . . . . ?
C54 C51 P3 C27 -153.4(3) . . . . ?
N3 C51 P3 C45 -85.9(3) . . . . ?
C54 C51 P3 C45 95.8(3) . . . . ?
N3 C51 P3 Ag1 153.4(3) . . . . ?
C54 C51 P3 Ag1 -24.9(3) . . . . ?
C38 C33 P4 C55 32.3(4) . . . . ?
C34 C33 P4 C55 -157.9(3) . . . . ?
C38 C33 P4 C54 139.4(3) . . . . ?
C34 C33 P4 C54 -50.8(4) . . . . ?
C38 C33 P4 Ag1 -100.6(3) . . . . ?
C34 C33 P4 Ag1 69.2(4) . . . . ?
C56 C55 P4 C33 -120.5(3) . . . . ?
C60 C55 P4 C33 65.6(3) . . . . ?
C56 C55 P4 C54 129.0(3) . . . . ?
C60 C55 P4 C54 -44.9(3) . . . . ?
C56 C55 P4 Ag1 21.1(3) . . . . ?
C60 C55 P4 Ag1 -152.8(3) . . . . ?
N4 C54 P4 C33 -14.4(4) . . . . ?
C51 C54 P4 C33 165.7(3) . . . . ?
N4 C54 P4 C55 97.0(3) . . . . ?
C51 C54 P4 C55 -82.9(3) . . . . ?
N4 C54 P4 Ag1 -149.3(3) . . . . ?
C51 C54 P4 Ag1 30.8(3) . . . . ?
N6 C65 C66 C67 179.2(4) . . . . ?
C70 C65 C66 C67 -0.4(6) . . . . ?
C65 C66 C67 C68 0.9(7) . . . . ?
C66 C67 C68 C69 -0.3(7) . . . . ?
C67 C68 C69 C70 -0.8(7) . . . . ?
C68 C69 C70 N5 -179.7(4) . . . . ?
C68 C69 C70 C65 1.3(6) . . . . ?
N6 C65 C70 N5 0.7(6) . . . . ?
C66 C65 C70 N5 -179.7(4) . . . . ?
N6 C65 C70 C69 179.7(4) . . . . ?
C66 C65 C70 C69 -0.7(6) . . . . ?
N5 C71 C72 N6 0.2(6) . . . . ?
P5 C71 C72 N6 -179.3(3) . . . . ?
N5 C71 C72 P6 -177.1(3) . . . . ?
P5 C71 C72 P6 3.4(4) . . . . ?
C78 C73 C74 C75 -0.9(6) . . . . ?
P6 C73 C74 C75 173.0(3) . . . . ?
C73 C74 C75 C76 0.3(6) . . . . ?
C74 C75 C76 C77 0.7(7) . . . . ?
C75 C76 C77 C78 -1.2(7) . . . . ?
C76 C77 C78 C73 0.6(6) . . . . ?
C74 C73 C78 C77 0.4(6) . . . . ?
P6 C73 C78 C77 -173.2(3) . . . . ?
C84 C79 C80 C81 -1.1(6) . . . . ?
P5 C79 C80 C81 -172.6(3) . . . . ?
C79 C80 C81 C82 0.2(6) . . . . ?
C80 C81 C82 C83 0.3(7) . . . . ?
C81 C82 C83 C84 0.1(7) . . . . ?
C82 C83 C84 C79 -1.1(6) . . . . ?
C80 C79 C84 C83 1.6(6) . . . . ?
P5 C79 C84 C83 173.5(3) . . . . ?
C90 C85 C86 C87 0.2(6) . . . . ?
P5 C85 C86 C87 179.9(3) . . . . ?
C85 C86 C87 C88 0.2(7) . . . . ?
C86 C87 C88 C89 -0.6(7) . . . . ?
C87 C88 C89 C90 0.7(7) . . . . ?
C88 C89 C90 C85 -0.4(6) . . . . ?
C86 C85 C90 C89 -0.1(6) . . . . ?
P5 C85 C90 C89 -179.8(3) . . . . ?
C96 C91 C92 C93 -0.3(6) . . . . ?
P7 C91 C92 C93 -169.9(3) . . . . ?
C91 C92 C93 C94 -0.7(7) . . . . ?
C92 C93 C94 C95 0.5(7) . . . . ?
C93 C94 C95 C96 0.7(7) . . . . ?
C94 C95 C96 C91 -1.7(7) . . . . ?
C92 C91 C96 C95 1.5(6) . . . . ?
P7 C91 C96 C95 170.7(3) . . . . ?
C102 C97 C98 C99 0.2(6) . . . . ?
P8 C97 C98 C99 -180.0(3) . . . . ?
C97 C98 C99 C100 0.3(6) . . . . ?
C98 C99 C100 C101 -0.5(6) . . . . ?
C99 C100 C101 C102 0.0(6) . . . . ?
C98 C97 C102 C101 -0.6(6) . . . . ?
P8 C97 C102 C101 179.5(3) . . . . ?
C100 C101 C102 C97 0.5(6) . . . . ?
C108 C103 C104 C105 -0.1(6) . . . . ?
P6 C103 C104 C105 -170.0(3) . . . . ?
C103 C104 C105 C106 0.3(7) . . . . ?
C104 C105 C106 C107 -0.4(7) . . . . ?
C105 C106 C107 C108 0.3(7) . . . . ?
C104 C103 C108 C107 -0.1(6) . . . . ?
P6 C103 C108 C107 170.1(4) . . . . ?
C106 C107 C108 C103 0.0(7) . . . . ?
C114 C109 C110 C111 0.8(6) . . . . ?
P7 C109 C110 C111 -175.3(3) . . . . ?
C109 C110 C111 C112 0.3(6) . . . . ?
C110 C111 C112 C113 -1.2(7) . . . . ?
C111 C112 C113 C114 1.0(6) . . . . ?
C112 C113 C114 C109 0.1(6) . . . . ?
C110 C109 C114 C113 -1.0(6) . . . . ?
P7 C109 C114 C113 175.1(3) . . . . ?
N7 C116 C117 N8 2.2(7) . . . . ?
C125 C116 C117 N8 -177.1(4) . . . . ?
N7 C116 C117 C128 -178.3(5) . . . . ?
C125 C116 C117 C128 2.4(7) . . . . ?
N7 C115 C118 N8 1.4(6) . . . . ?
P7 C115 C118 N8 -179.7(3) . . . . ?
N7 C115 C118 P8 -177.2(3) . . . . ?
P7 C115 C118 P8 1.8(5) . . . . ?
C124 C119 C120 C121 0.9(7) . . . . ?
P8 C119 C120 C121 -172.4(4) . . . . ?
C119 C120 C121 C122 0.9(7) . . . . ?
C120 C121 C122 C123 -2.0(7) . . . . ?
C121 C122 C123 C124 1.3(7) . . . . ?
C122 C123 C124 C119 0.4(7) . . . . ?
C120 C119 C124 C123 -1.5(6) . . . . ?
P8 C119 C124 C123 171.5(3) . . . . ?
N7 C116 C125 C126 -179.2(4) . . . . ?
C117 C116 C125 C126 0.1(7) . . . . ?
C116 C125 C126 C127 -2.3(7) . . . . ?
C125 C126 C127 C128 2.1(8) . . . . ?
C126 C127 C128 C117 0.5(9) . . . . ?
N8 C117 C128 C127 176.8(5) . . . . ?
C116 C117 C128 C127 -2.7(8) . . . . ?
C72 C71 N5 C70 1.3(5) . . . . ?
P5 C71 N5 C70 -179.3(3) . . . . ?
C69 C70 N5 C71 179.3(4) . . . . ?
C65 C70 N5 C71 -1.6(5) . . . . ?
C71 C72 N6 C65 -1.2(5) . . . . ?
P6 C72 N6 C65 176.3(3) . . . . ?
C66 C65 N6 C72 -178.9(4) . . . . ?
C70 C65 N6 C72 0.8(5) . . . . ?
C118 C115 N7 C116 2.0(6) . . . . ?
P7 C115 N7 C116 -177.0(3) . . . . ?
C125 C116 N7 C115 175.6(4) . . . . ?
C117 C116 N7 C115 -3.7(6) . . . . ?
C115 C118 N8 C117 -2.9(6) . . . . ?
P8 C118 N8 C117 175.7(3) . . . . ?
C128 C117 N8 C118 -178.3(5) . . . . ?
C116 C117 N8 C118 1.1(6) . . . . ?
C80 C79 P5 C85 -133.8(3) . . . . ?
C84 C79 P5 C85 54.7(4) . . . . ?
C80 C79 P5 C71 -25.1(4) . . . . ?
C84 C79 P5 C71 163.3(3) . . . . ?
C80 C79 P5 Ag2 89.6(3) . . . . ?
C84 C79 P5 Ag2 -82.0(3) . . . . ?
C86 C85 P5 C79 -131.0(3) . . . . ?
C90 C85 P5 C79 48.7(4) . . . . ?
C86 C85 P5 C71 120.9(3) . . . . ?
C90 C85 P5 C71 -59.4(4) . . . . ?
C86 C85 P5 Ag2 2.4(4) . . . . ?
C90 C85 P5 Ag2 -177.9(3) . . . . ?
N5 C71 P5 C79 -52.4(3) . . . . ?
C72 C71 P5 C79 127.1(3) . . . . ?
N5 C71 P5 C85 57.6(3) . . . . ?
C72 C71 P5 C85 -122.9(3) . . . . ?
N5 C71 P5 Ag2 -173.7(3) . . . . ?
C72 C71 P5 Ag2 5.8(3) . . . . ?
C108 C103 P6 C73 148.8(3) . . . . ?
C104 C103 P6 C73 -41.1(4) . . . . ?
C108 C103 P6 C72 43.5(4) . . . . ?
C104 C103 P6 C72 -146.5(3) . . . . ?
C108 C103 P6 Ag2 -71.9(4) . . . . ?
C104 C103 P6 Ag2 98.2(3) . . . . ?
C74 C73 P6 C103 150.3(3) . . . . ?
C78 C73 P6 C103 -36.0(4) . . . . ?
C74 C73 P6 C72 -102.2(3) . . . . ?
C78 C73 P6 C72 71.5(4) . . . . ?
C74 C73 P6 Ag2 10.9(4) . . . . ?
C78 C73 P6 Ag2 -175.4(3) . . . . ?
N6 C72 P6 C103 47.2(3) . . . . ?
C71 C72 P6 C103 -135.4(3) . . . . ?
N6 C72 P6 C73 -64.9(3) . . . . ?
C71 C72 P6 C73 112.5(3) . . . . ?
N6 C72 P6 Ag2 172.0(3) . . . . ?
C71 C72 P6 Ag2 -10.6(3) . . . . ?
C92 C91 P7 C109 -38.8(4) . . . . ?
C96 C91 P7 C109 151.9(3) . . . . ?
C92 C91 P7 C115 -146.5(3) . . . . ?
C96 C91 P7 C115 44.2(4) . . . . ?
C92 C91 P7 Ag2 95.4(3) . . . . ?
C96 C91 P7 Ag2 -73.9(4) . . . . ?
C110 C109 P7 C91 -65.4(4) . . . . ?
C114 C109 P7 C91 118.6(3) . . . . ?
C110 C109 P7 C115 46.1(4) . . . . ?
C114 C109 P7 C115 -129.9(3) . . . . ?
C110 C109 P7 Ag2 155.0(3) . . . . ?
C114 C109 P7 Ag2 -21.0(4) . . . . ?
N7 C115 P7 C91 16.4(4) . . . . ?
C118 C115 P7 C91 -162.6(3) . . . . ?
N7 C115 P7 C109 -94.5(4) . . . . ?
C118 C115 P7 C109 86.5(3) . . . . ?
N7 C115 P7 Ag2 148.0(3) . . . . ?
C118 C115 P7 Ag2 -31.0(3) . . . . ?
C120 C119 P8 C97 132.3(3) . . . . ?
C124 C119 P8 C97 -40.9(4) . . . . ?
C120 C119 P8 C118 -119.9(3) . . . . ?
C124 C119 P8 C118 67.0(4) . . . . ?
C120 C119 P8 Ag2 -1.1(4) . . . . ?
C124 C119 P8 Ag2 -174.3(3) . . . . ?
C102 C97 P8 C119 101.9(4) . . . . ?
C98 C97 P8 C119 -77.9(3) . . . . ?
C102 C97 P8 C118 -8.6(4) . . . . ?
C98 C97 P8 C118 171.6(3) . . . . ?
C102 C97 P8 Ag2 -116.8(3) . . . . ?
C98 C97 P8 Ag2 63.4(3) . . . . ?
N8 C118 P8 C119 -15.6(4) . . . . ?
C115 C118 P8 C119 163.0(3) . . . . ?
N8 C118 P8 C97 91.6(4) . . . . ?
C115 C118 P8 C97 -89.8(3) . . . . ?
N8 C118 P8 Ag2 -150.8(3) . . . . ?
C115 C118 P8 Ag2 27.7(3) . . . . ?

_refine_diff_density_max         0.471
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.055



