#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:32:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179795 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/91/7009103.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7009103
loop_
_publ_author_name
'Smucker, Bradley W.'
'Dunbar, Kim R.'
_publ_section_title
;
 Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with
 tetrathiafulvalene-functionalized phosphine ligands †
;
_journal_issue                   8
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1309
_journal_paper_doi               10.1039/a908559i
_journal_year                    2000
_chemical_formula_sum            'C67.65 H57.53 Ag B Cl0.48 F4 N1.68 P4 S8'
_chemical_formula_weight         1486.07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.75(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.569(5)
_cell_length_b                   21.376(4)
_cell_length_c                   27.209(5)
_cell_measurement_temperature    173(2)
_cell_volume                     13714(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Bruker Smart1000 CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            159669
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    0.702
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular box'
_exptl_crystal_F_000             6075
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.512
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.900
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1707
_refine_ls_number_reflns         32878
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          2.073
_refine_ls_shift/su_mean         0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1345
_reflns_number_gt                24019
_reflns_number_total             32878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a908559i.txt
_cod_data_source_block           texas
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7009103
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.195877(9) 0.709004(9) 0.125980(8) 0.02377(6) Uani 1 1 d . . .
Ag2 Ag 0.695881(9) 0.797580(9) 0.150987(8) 0.02445(6) Uani 1 1 d . . .
P1 P 0.20855(3) 0.82567(3) 0.12977(3) 0.02259(15) Uani 1 1 d . . .
P2 P 0.09312(3) 0.73370(3) 0.10066(3) 0.02308(15) Uani 1 1 d . . .
P3 P 0.22588(3) 0.61606(3) 0.08800(3) 0.02262(15) Uani 1 1 d . . .
P4 P 0.24695(3) 0.65577(3) 0.21425(3) 0.02365(15) Uani 1 1 d . . .
P5 P 0.72011(3) 0.68340(3) 0.16160(3) 0.02476(15) Uani 1 1 d . . .
P6 P 0.59638(3) 0.76225(3) 0.12458(3) 0.02270(15) Uani 1 1 d . . .
P7 P 0.73323(3) 0.87299(3) 0.10318(3) 0.02301(15) Uani 1 1 d . . .
P8 P 0.74989(3) 0.85933(3) 0.23275(3) 0.02453(15) Uani 1 1 d . . .
S1 S 0.12456(3) 0.93667(3) 0.09677(3) 0.02822(16) Uani 1 1 d . . .
S2 S 0.02295(3) 0.85648(3) 0.06897(3) 0.02770(16) Uani 1 1 d . . .
S3 S -0.05633(3) 0.97996(3) 0.05034(3) 0.02940(16) Uani 1 1 d . . .
S4 S 0.04340(3) 1.06160(3) 0.07614(3) 0.02918(16) Uani 1 1 d . . .
S5 S 0.29700(3) 0.49825(4) 0.13761(3) 0.03230(17) Uani 1 1 d . . .
S6 S 0.31592(3) 0.53218(4) 0.24772(3) 0.03113(17) Uani 1 1 d . . .
S7 S 0.40969(4) 0.41607(4) 0.17595(3) 0.03634(19) Uani 1 1 d . . .
S8 S 0.43171(3) 0.44045(3) 0.28848(3) 0.02901(16) Uani 1 1 d . . .
S11 S 0.64665(3) 0.56548(3) 0.11865(3) 0.03012(16) Uani 1 1 d . . .
S12 S 0.53841(3) 0.63564(3) 0.08372(3) 0.02677(15) Uani 1 1 d . . .
S13 S 0.57606(3) 0.43451(3) 0.08804(3) 0.02860(16) Uani 1 1 d . . .
S14 S 0.46905(3) 0.50442(3) 0.05756(3) 0.03008(16) Uani 1 1 d . . .
S15 S 0.83390(3) 0.96870(4) 0.25472(3) 0.02966(16) Uani 1 1 d . . .
S16 S 0.81882(3) 0.98334(3) 0.14232(3) 0.02878(16) Uani 1 1 d . . .
S17 S 0.95319(3) 1.04289(4) 0.29330(3) 0.02831(16) Uani 1 1 d . . .
S18 S 0.93982(3) 1.06009(3) 0.18171(3) 0.02849(16) Uani 1 1 d . . .
C1 C 0.13570(11) 0.85536(12) 0.10573(11) 0.0227(6) Uani 1 1 d . . .
C2 C 0.08931(11) 0.81892(13) 0.09374(11) 0.0239(6) Uani 1 1 d . . .
C3 C 0.05049(12) 0.93343(13) 0.07720(11) 0.0244(6) Uani 1 1 d . . .
C4 C 0.01746(12) 0.98454(13) 0.06905(11) 0.0240(6) Uani 1 1 d . . .
C5 C -0.02277(13) 1.09799(14) 0.06404(11) 0.0297(7) Uani 1 1 d . . .
C6 C -0.06726(12) 1.06069(14) 0.05290(11) 0.0276(6) Uani 1 1 d . . .
C7 C -0.02185(15) 1.16831(15) 0.06645(14) 0.0434(8) Uani 1 1 d . . .
H7A H -0.0593 1.1836 0.0596 0.065 Uiso 1 1 calc R . .
H7B H -0.0091 1.1846 0.0401 0.065 Uiso 1 1 calc R . .
H7C H 0.0035 1.1817 0.1012 0.065 Uiso 1 1 calc R . .
C8 C -0.12783(13) 1.07977(16) 0.04029(13) 0.0393(8) Uani 1 1 d . . .
H8A H -0.1299 1.1244 0.0428 0.059 Uiso 1 1 calc R . .
H8B H -0.1410 1.0605 0.0652 0.059 Uiso 1 1 calc R . .
H8C H -0.1511 1.0666 0.0048 0.059 Uiso 1 1 calc R . .
C9 C 0.26643(11) 0.56883(13) 0.14653(11) 0.0238(6) Uani 1 1 d . . .
C10 C 0.27503(12) 0.58441(13) 0.19726(11) 0.0247(6) Uani 1 1 d . . .
C11 C 0.34063(12) 0.48998(13) 0.20537(11) 0.0272(6) Uani 1 1 d . . .
C12 C 0.38746(12) 0.45428(13) 0.22167(11) 0.0274(6) Uani 1 1 d . . .
C13 C 0.47783(13) 0.39694(14) 0.22299(12) 0.0297(6) Uani 1 1 d . . .
C15 C 0.51665(15) 0.36843(16) 0.19971(14) 0.0413(8) Uani 1 1 d . . .
H15A H 0.5527 0.3597 0.2277 0.062 Uiso 1 1 calc R . .
H15B H 0.5218 0.3971 0.1748 0.062 Uiso 1 1 calc R . .
H15C H 0.5004 0.3302 0.1817 0.062 Uiso 1 1 calc R . .
C14 C 0.48773(12) 0.40727(13) 0.27405(12) 0.0274(6) Uani 1 1 d . . .
C16 C 0.54016(13) 0.38991(15) 0.32092(12) 0.0347(7) Uani 1 1 d . . .
H16A H 0.5676 0.3727 0.3086 0.052 Uiso 1 1 calc R . .
H16B H 0.5309 0.3594 0.3422 0.052 Uiso 1 1 calc R . .
H16C H 0.5556 0.4265 0.3420 0.052 Uiso 1 1 calc R . .
C101 C 0.78660(12) 0.91715(13) 0.20862(11) 0.0261(6) Uani 1 1 d . . .
C102 C 0.77930(11) 0.92364(13) 0.15691(11) 0.0233(6) Uani 1 1 d . . .
C103 C 0.86190(12) 0.99848(13) 0.20971(11) 0.0259(6) Uani 1 1 d . . .
C104 C 0.91150(12) 1.02943(13) 0.22578(11) 0.0246(6) Uani 1 1 d . . .
C105 C 1.01114(12) 1.07613(13) 0.28205(11) 0.0265(6) Uani 1 1 d . . .
C106 C 1.00504(12) 1.08366(13) 0.23178(12) 0.0284(6) Uani 1 1 d . . .
C107 C 1.06058(13) 1.09626(16) 0.33100(12) 0.0380(8) Uani 1 1 d . . .
H10A H 1.0896 1.1136 0.3208 0.057 Uiso 1 1 calc R . .
H10B H 1.0755 1.0608 0.3538 0.057 Uiso 1 1 calc R . .
H10C H 1.0483 1.1273 0.3497 0.057 Uiso 1 1 calc R . .
C108 C 1.04553(14) 1.11372(16) 0.21151(13) 0.0373(7) Uani 1 1 d . . .
H10D H 1.0796 1.1251 0.2410 0.056 Uiso 1 1 calc R . .
H10E H 1.0285 1.1505 0.1915 0.056 Uiso 1 1 calc R . .
H10F H 1.0546 1.0849 0.1889 0.056 Uiso 1 1 calc R . .
C109 C 0.60130(12) 0.67864(12) 0.11242(11) 0.0237(6) Uani 1 1 d . . .
C110 C 0.65085(11) 0.64709(12) 0.12755(11) 0.0237(6) Uani 1 1 d . . .
C111 C 0.57214(12) 0.56200(12) 0.09221(11) 0.0235(6) Uani 1 1 d . . .
C112 C 0.54327(11) 0.50807(12) 0.08030(10) 0.0225(6) Uani 1 1 d . . .
C113 C 0.46439(13) 0.42224(14) 0.05102(11) 0.0296(6) Uani 1 1 d . . .
C114 C 0.51293(13) 0.39046(13) 0.06399(11) 0.0301(7) Uani 1 1 d . . .
C115 C 0.40546(14) 0.39563(17) 0.03146(15) 0.0458(9) Uani 1 1 d . . .
H11A H 0.4073 0.3509 0.0294 0.069 Uiso 1 1 calc R . .
H11B H 0.3835 0.4122 -0.0032 0.069 Uiso 1 1 calc R . .
H11C H 0.3879 0.4068 0.0557 0.069 Uiso 1 1 calc R . .
C116 C 0.51995(15) 0.32144(14) 0.06174(14) 0.0424(8) Uani 1 1 d . . .
H11D H 0.4833 0.3018 0.0483 0.064 Uiso 1 1 calc R . .
H11E H 0.5418 0.3060 0.0969 0.064 Uiso 1 1 calc R . .
H11F H 0.5393 0.3121 0.0386 0.064 Uiso 1 1 calc R . .
C17 C 0.23922(12) 0.85665(13) 0.19747(11) 0.0260(6) Uani 1 1 d . . .
C18 C 0.20887(14) 0.84801(15) 0.23032(12) 0.0343(7) Uani 1 1 d . . .
H18A H 0.1722 0.8320 0.2160 0.041 Uiso 1 1 calc R . .
C19 C 0.23339(15) 0.86322(17) 0.28402(13) 0.0419(8) Uani 1 1 d . . .
H19A H 0.2130 0.8576 0.3055 0.050 Uiso 1 1 calc R . .
C20 C 0.28802(16) 0.88667(16) 0.30566(13) 0.0445(9) Uani 1 1 d . . .
H20A H 0.3044 0.8963 0.3418 0.053 Uiso 1 1 calc R . .
C21 C 0.31817(14) 0.89579(15) 0.27428(13) 0.0390(8) Uani 1 1 d . . .
H21A H 0.3545 0.9125 0.2889 0.047 Uiso 1 1 calc R . .
C22 C 0.29426(13) 0.87993(14) 0.21996(13) 0.0327(7) Uani 1 1 d . . .
H22A H 0.3153 0.8850 0.1990 0.039 Uiso 1 1 calc R . .
C23 C 0.23940(11) 0.87038(14) 0.09009(11) 0.0267(6) Uani 1 1 d . . .
C24 C 0.25421(12) 0.93350(14) 0.09828(13) 0.0326(7) Uani 1 1 d . . .
H24A H 0.2501 0.9550 0.1263 0.039 Uiso 1 1 calc R . .
C25 C 0.27503(13) 0.96420(17) 0.06464(14) 0.0424(8) Uani 1 1 d . . .
H25A H 0.2845 1.0064 0.0700 0.051 Uiso 1 1 calc R . .
C26 C 0.28175(14) 0.93226(19) 0.02299(15) 0.0475(9) Uani 1 1 d . . .
H26A H 0.2960 0.9529 0.0008 0.057 Uiso 1 1 calc R . .
C27 C 0.26728(14) 0.87017(19) 0.01462(14) 0.0449(9) Uani 1 1 d . . .
H27A H 0.2715 0.8489 -0.0134 0.054 Uiso 1 1 calc R . .
C28 C 0.24620(13) 0.83876(16) 0.04817(12) 0.0339(7) Uani 1 1 d . . .
H28A H 0.2367 0.7966 0.0425 0.041 Uiso 1 1 calc R . .
C29 C 0.06531(12) 0.71666(13) 0.15125(12) 0.0276(6) Uani 1 1 d . . .
C30 C 0.06121(14) 0.76122(14) 0.18705(13) 0.0339(7) Uani 1 1 d . . .
H30A H 0.0703 0.8027 0.1839 0.041 Uiso 1 1 calc R . .
C31 C 0.04371(17) 0.74395(17) 0.22730(15) 0.0467(9) Uani 1 1 d . . .
H31A H 0.0422 0.7737 0.2516 0.056 Uiso 1 1 calc R . .
C32 C 0.02858(18) 0.68296(18) 0.23153(16) 0.0534(10) Uani 1 1 d . . .
H32A H 0.0158 0.6720 0.2581 0.064 Uiso 1 1 calc R . .
C33 C 0.03230(16) 0.63798(16) 0.19655(15) 0.0468(9) Uani 1 1 d . . .
H33A H 0.0222 0.5968 0.1996 0.056 Uiso 1 1 calc R . .
C34 C 0.05108(14) 0.65461(15) 0.15708(13) 0.0364(7) Uani 1 1 d . . .
H34A H 0.0543 0.6241 0.1340 0.044 Uiso 1 1 calc R . .
C35 C 0.03728(13) 0.70564(13) 0.03994(12) 0.0289(6) Uani 1 1 d . . .
C36 C -0.01969(14) 0.70600(15) 0.03273(14) 0.0399(8) Uani 1 1 d . . .
H36A H -0.0303 0.7213 0.0595 0.048 Uiso 1 1 calc R . .
C37 C -0.06082(17) 0.68362(18) -0.01437(17) 0.0559(11) Uani 1 1 d . . .
H37A H -0.0988 0.6845 -0.0191 0.067 Uiso 1 1 calc R . .
C38 C -0.04541(18) 0.66024(17) -0.05386(16) 0.0568(12) Uani 1 1 d . . .
H38A H -0.0731 0.6451 -0.0852 0.068 Uiso 1 1 calc R . .
C39 C 0.0111(2) 0.65902(16) -0.04736(14) 0.0555(11) Uani 1 1 d . . .
H39A H 0.0212 0.6433 -0.0743 0.067 Uiso 1 1 calc R . .
C40 C 0.05250(16) 0.68136(15) -0.00036(13) 0.0413(8) Uani 1 1 d . . .
H40A H 0.0905 0.6801 0.0042 0.050 Uiso 1 1 calc R . .
C41 C 0.16782(12) 0.56362(14) 0.05058(12) 0.0313(7) Uani 1 1 d . . .
C42 C 0.14656(15) 0.55977(17) -0.00459(14) 0.0451(9) Uani 1 1 d . . .
H42A H 0.1644 0.5810 -0.0236 0.054 Uiso 1 1 calc R . .
C43 C 0.09794(18) 0.5237(2) -0.03156(18) 0.0674(14) Uani 1 1 d . . .
H43A H 0.0838 0.5203 -0.0685 0.081 Uiso 1 1 calc R . .
C44 C 0.07139(18) 0.4936(2) -0.0030(3) 0.0795(17) Uani 1 1 d . . .
H44A H 0.0391 0.4699 -0.0210 0.095 Uiso 1 1 calc R . .
C45 C 0.09161(18) 0.4978(2) 0.0516(2) 0.0714(14) Uani 1 1 d . . .
H45A H 0.0730 0.4775 0.0703 0.086 Uiso 1 1 calc R . .
C46 C 0.13987(14) 0.53245(16) 0.07820(17) 0.0483(9) Uani 1 1 d . . .
H46A H 0.1539 0.5350 0.1152 0.058 Uiso 1 1 calc R . .
C47 C 0.27428(13) 0.61824(15) 0.05356(12) 0.0314(7) Uani 1 1 d . . .
C48 C 0.30885(15) 0.67101(17) 0.06281(15) 0.0444(9) Uani 1 1 d . . .
H48A H 0.3035 0.7041 0.0826 0.053 Uiso 1 1 calc R . .
C49 C 0.35111(18) 0.6746(2) 0.0429(2) 0.0670(13) Uani 1 1 d . . .
H49A H 0.3746 0.7095 0.0501 0.080 Uiso 1 1 calc R . .
C50 C 0.3583(2) 0.6264(3) 0.0124(2) 0.0723(15) Uani 1 1 d . . .
H50A H 0.3860 0.6293 -0.0017 0.087 Uiso 1 1 calc R . .
C51 C 0.32468(18) 0.5743(2) 0.00268(16) 0.0608(12) Uani 1 1 d . . .
H51A H 0.3300 0.5418 -0.0176 0.073 Uiso 1 1 calc R . .
C52 C 0.28243(16) 0.56988(18) 0.02323(13) 0.0444(9) Uani 1 1 d . . .
H52A H 0.2597 0.5344 0.0165 0.053 Uiso 1 1 calc R . .
C53 C 0.20933(12) 0.62793(14) 0.25463(12) 0.0289(6) Uani 1 1 d . . .
C54 C 0.19586(15) 0.67079(16) 0.28613(14) 0.0428(8) Uani 1 1 d . . .
H54A H 0.2077 0.7121 0.2877 0.051 Uiso 1 1 calc R . .
C55 C 0.16464(17) 0.6518(2) 0.31537(16) 0.0538(10) Uani 1 1 d . . .
H55A H 0.1560 0.6807 0.3367 0.065 Uiso 1 1 calc R . .
C56 C 0.14631(17) 0.5914(2) 0.31326(16) 0.0541(10) Uani 1 1 d . . .
H56A H 0.1263 0.5790 0.3337 0.065 Uiso 1 1 calc R . .
C57 C 0.15787(16) 0.54881(17) 0.28037(16) 0.0469(9) Uani 1 1 d . . .
H57A H 0.1443 0.5080 0.2778 0.056 Uiso 1 1 calc R . .
C58 C 0.18952(14) 0.56684(15) 0.25135(14) 0.0378(7) Uani 1 1 d . . .
H58A H 0.1975 0.5380 0.2296 0.045 Uiso 1 1 calc R . .
C59 C 0.31134(12) 0.69497(13) 0.25969(12) 0.0286(6) Uani 1 1 d . . .
C60 C 0.33151(15) 0.69162(18) 0.31479(14) 0.0451(9) Uani 1 1 d . . .
H60A H 0.3128 0.6671 0.3311 0.054 Uiso 1 1 calc R . .
C61 C 0.37966(16) 0.7249(2) 0.34570(15) 0.0554(11) Uani 1 1 d . . .
H61A H 0.3923 0.7238 0.3827 0.066 Uiso 1 1 calc R . .
C62 C 0.40869(16) 0.75959(18) 0.32184(17) 0.0526(10) Uani 1 1 d . . .
H62A H 0.4414 0.7810 0.3428 0.063 Uiso 1 1 calc R . .
C63 C 0.38959(15) 0.76283(16) 0.26709(16) 0.0468(9) Uani 1 1 d . . .
H63A H 0.4093 0.7862 0.2511 0.056 Uiso 1 1 calc R . .
C64 C 0.34041(13) 0.73079(14) 0.23591(14) 0.0361(7) Uani 1 1 d . . .
H64A H 0.3270 0.7334 0.1990 0.043 Uiso 1 1 calc R . .
C117 C 0.76544(12) 0.65088(13) 0.13024(12) 0.0292(6) Uani 1 1 d . . .
C118 C 0.74374(15) 0.63122(16) 0.07737(14) 0.0418(8) Uani 1 1 d . . .
H11G H 0.7047 0.6311 0.0581 0.050 Uiso 1 1 calc R . .
C119 C 0.7797(2) 0.61181(18) 0.05303(18) 0.0584(11) Uani 1 1 d . . .
H11H H 0.7646 0.5984 0.0178 0.070 Uiso 1 1 calc R . .
C120 C 0.8377(2) 0.61237(18) 0.0808(2) 0.0638(13) Uani 1 1 d . . .
H12A H 0.8617 0.5987 0.0646 0.077 Uiso 1 1 calc R . .
C121 C 0.85970(17) 0.63310(19) 0.1324(2) 0.0593(12) Uani 1 1 d . . .
H12B H 0.8988 0.6341 0.1510 0.071 Uiso 1 1 calc R . .
C122 C 0.82399(13) 0.65267(16) 0.15723(15) 0.0414(8) Uani 1 1 d . . .
H12C H 0.8395 0.6671 0.1922 0.050 Uiso 1 1 calc R . .
C123 C 0.74339(12) 0.64669(14) 0.22749(12) 0.0291(6) Uani 1 1 d . . .
C124 C 0.72168(15) 0.67192(17) 0.26290(14) 0.0423(8) Uani 1 1 d . . .
H12D H 0.6983 0.7069 0.2530 0.051 Uiso 1 1 calc R . .
C125 C 0.73465(18) 0.64542(18) 0.31263(15) 0.0519(10) Uani 1 1 d . . .
H12E H 0.7188 0.6615 0.3355 0.062 Uiso 1 1 calc R . .
C126 C 0.77122(17) 0.59490(18) 0.32815(14) 0.0499(10) Uani 1 1 d . . .
H12F H 0.7806 0.5776 0.3618 0.060 Uiso 1 1 calc R . .
C127 C 0.79385(17) 0.57009(17) 0.29386(15) 0.0475(9) Uani 1 1 d . . .
H12G H 0.8190 0.5367 0.3046 0.057 Uiso 1 1 calc R . .
C128 C 0.77887(14) 0.59529(15) 0.24305(13) 0.0367(7) Uani 1 1 d . . .
H12H H 0.7928 0.5774 0.2194 0.044 Uiso 1 1 calc R . .
C129 C 0.53503(12) 0.79044(12) 0.06794(12) 0.0254(6) Uani 1 1 d . . .
C130 C 0.54411(14) 0.82057(15) 0.02681(13) 0.0352(7) Uani 1 1 d . . .
H13A H 0.5808 0.8249 0.0282 0.042 Uiso 1 1 calc R . .
C131 C 0.49896(16) 0.84422(16) -0.01633(14) 0.0444(9) Uani 1 1 d . . .
H13B H 0.5053 0.8636 -0.0441 0.053 Uiso 1 1 calc R . .
C132 C 0.44468(15) 0.83894(15) -0.01787(14) 0.0440(9) Uani 1 1 d . . .
H13C H 0.4144 0.8554 -0.0466 0.053 Uiso 1 1 calc R . .
C133 C 0.43495(14) 0.80955(16) 0.02263(15) 0.0422(8) Uani 1 1 d . . .
H13D H 0.3981 0.8063 0.0212 0.051 Uiso 1 1 calc R . .
C134 C 0.47952(13) 0.78469(15) 0.06563(13) 0.0339(7) Uani 1 1 d . . .
H13E H 0.4727 0.7643 0.0928 0.041 Uiso 1 1 calc R . .
C135 C 0.57188(12) 0.76351(14) 0.17928(12) 0.0285(6) Uani 1 1 d . . .
C136 C 0.57897(15) 0.71259(15) 0.21355(14) 0.0388(8) Uani 1 1 d . . .
H13F H 0.5935 0.6750 0.2071 0.047 Uiso 1 1 calc R . .
C137 C 0.56408(17) 0.71868(18) 0.25761(15) 0.0504(10) Uani 1 1 d . . .
H13G H 0.5689 0.6850 0.2806 0.060 Uiso 1 1 calc R . .
C138 C 0.54235(16) 0.7739(2) 0.26735(16) 0.0521(10) Uani 1 1 d . . .
H13H H 0.5325 0.7775 0.2967 0.062 Uiso 1 1 calc R . .
C139 C 0.53514(15) 0.82425(19) 0.23341(15) 0.0473(9) Uani 1 1 d . . .
H13I H 0.5203 0.8616 0.2399 0.057 Uiso 1 1 calc R . .
C140 C 0.55006(13) 0.81896(16) 0.18994(13) 0.0356(7) Uani 1 1 d . . .
H14A H 0.5454 0.8531 0.1674 0.043 Uiso 1 1 calc R . .
C141 C 0.77823(12) 0.85518(14) 0.06672(12) 0.0288(6) Uani 1 1 d . . .
C142 C 0.78706(14) 0.89701(15) 0.03116(12) 0.0342(7) Uani 1 1 d . . .
H14B H 0.7682 0.9352 0.0240 0.041 Uiso 1 1 calc R . .
C143 C 0.82385(15) 0.88166(18) 0.00657(14) 0.0447(9) Uani 1 1 d . . .
H14C H 0.8288 0.9093 -0.0177 0.054 Uiso 1 1 calc R . .
C144 C 0.85319(19) 0.8258(2) 0.01772(19) 0.0613(12) Uani 1 1 d . . .
H14D H 0.8783 0.8161 0.0016 0.074 Uiso 1 1 calc R . .
C145 C 0.8448(2) 0.78473(19) 0.0530(2) 0.0656(13) Uani 1 1 d . . .
H14E H 0.8646 0.7471 0.0608 0.079 Uiso 1 1 calc R . .
C146 C 0.80718(16) 0.79891(16) 0.07720(16) 0.0460(9) Uani 1 1 d . . .
H14F H 0.8015 0.7704 0.1005 0.055 Uiso 1 1 calc R . .
C147 C 0.67738(12) 0.92478(12) 0.06015(11) 0.0247(6) Uani 1 1 d . . .
C148 C 0.65323(13) 0.91659(14) 0.00502(12) 0.0314(7) Uani 1 1 d . . .
H14G H 0.6687 0.8877 -0.0111 0.038 Uiso 1 1 calc R . .
C149 C 0.60607(14) 0.95156(15) -0.02594(13) 0.0392(8) Uani 1 1 d . . .
H14H H 0.5906 0.9465 -0.0628 0.047 Uiso 1 1 calc R . .
C150 C 0.58216(15) 0.99384(16) -0.00213(15) 0.0444(9) Uani 1 1 d . . .
H15D H 0.5510 1.0176 -0.0230 0.053 Uiso 1 1 calc R . .
C151 C 0.60476(15) 1.00074(16) 0.05271(15) 0.0452(9) Uani 1 1 d . . .
H15E H 0.5882 1.0284 0.0689 0.054 Uiso 1 1 calc R . .
C152 C 0.65228(14) 0.96623(15) 0.08362(13) 0.0366(7) Uani 1 1 d . . .
H15F H 0.6674 0.9710 0.1205 0.044 Uiso 1 1 calc R . .
C153 C 0.80738(13) 0.81171(14) 0.27820(12) 0.0324(7) Uani 1 1 d . . .
C154 C 0.84765(14) 0.78829(15) 0.26086(15) 0.0407(8) Uani 1 1 d . . .
H15G H 0.8483 0.8020 0.2286 0.049 Uiso 1 1 calc R . .
C155 C 0.88736(15) 0.74444(17) 0.29113(17) 0.0523(10) Uani 1 1 d . . .
H15H H 0.9149 0.7295 0.2796 0.063 Uiso 1 1 calc R . .
C156 C 0.88538(17) 0.72326(18) 0.33868(18) 0.0597(12) Uani 1 1 d . . .
H15I H 0.9115 0.6936 0.3589 0.072 Uiso 1 1 calc R . .
C157 C 0.84581(18) 0.7453(2) 0.35588(17) 0.0622(12) Uani 1 1 d . . .
H15J H 0.8449 0.7306 0.3877 0.075 Uiso 1 1 calc R . .
C158 C 0.80647(16) 0.78994(18) 0.32636(15) 0.0505(10) Uani 1 1 d . . .
H15K H 0.7797 0.8052 0.3386 0.061 Uiso 1 1 calc R . .
C159 C 0.72226(13) 0.90432(14) 0.27428(12) 0.0296(6) Uani 1 1 d . . .
C160 C 0.66415(15) 0.91334(17) 0.25513(14) 0.0432(8) Uani 1 1 d . . .
H16D H 0.6412 0.8971 0.2221 0.052 Uiso 1 1 calc R . .
C161 C 0.63970(18) 0.9466(2) 0.28497(17) 0.0565(11) Uani 1 1 d . . .
H16E H 0.6006 0.9525 0.2718 0.068 Uiso 1 1 calc R . .
C162 C 0.67329(19) 0.97032(18) 0.33372(17) 0.0559(11) Uani 1 1 d . . .
H16F H 0.6569 0.9921 0.3537 0.067 Uiso 1 1 calc R . .
C163 C 0.73124(18) 0.96216(18) 0.35329(15) 0.0530(10) Uani 1 1 d . . .
H16G H 0.7538 0.9787 0.3863 0.064 Uiso 1 1 calc R . .
C164 C 0.75591(14) 0.92961(16) 0.32401(13) 0.0394(8) Uani 1 1 d . . .
H16H H 0.7951 0.9244 0.3374 0.047 Uiso 1 1 calc R . .
F4 F 1.09184(12) 0.72959(13) 0.44403(10) 0.0744(7) Uani 1 1 d . . .
F3 F 1.08165(13) 0.75048(13) 0.35947(11) 0.0850(9) Uani 1 1 d . . .
F2 F 1.10194(15) 0.65336(14) 0.39200(12) 0.0996(11) Uani 1 1 d . . .
F1 F 1.01568(13) 0.6938(2) 0.37393(14) 0.1249(14) Uani 1 1 d . . .
B1 B 1.0725(2) 0.7070(2) 0.3924(2) 0.0536(12) Uani 1 1 d . . .
F11 F 0.46532(15) 0.96935(17) 0.34607(12) 0.1093(12) Uani 1 1 d . A .
F14 F 0.4592(3) 0.9414(4) 0.26563(17) 0.169(4) Uani 0.837(8) 1 d P A 1
F12 F 0.5225(4) 0.8940(4) 0.3378(3) 0.126(4) Uani 0.837(8) 1 d P A 1
F13 F 0.5327(2) 0.9909(2) 0.3214(3) 0.149(3) Uani 0.837(8) 1 d P A 1
F14A F 0.5024(6) 0.9789(7) 0.2773(5) 0.037(4) Uani 0.163(8) 1 d P A 2
F12A F 0.4576(7) 0.8980(7) 0.2943(10) 0.069(7) Uani 0.163(8) 1 d P A 2
F13A F 0.5429(12) 0.9174(19) 0.3419(13) 0.112(18) Uani 0.163(8) 1 d P A 2
B2 B 0.4933(2) 0.9457(2) 0.3175(2) 0.0545(12) Uani 1 1 d . . .
N2 N 0.38071(18) 0.7988(2) 0.13620(18) 0.0843(14) Uani 1 1 d D . .
C3S C 0.39661(17) 0.8486(3) 0.13867(17) 0.0680(14) Uani 1 1 d D . .
C4S C 0.4177(2) 0.9118(3) 0.1416(2) 0.0899(17) Uani 1 1 d D . .
H4S1 H 0.4507 0.9118 0.1328 0.135 Uiso 1 1 calc R . .
H4S2 H 0.4277 0.9277 0.1770 0.135 Uiso 1 1 calc R . .
H4S3 H 0.3889 0.9378 0.1168 0.135 Uiso 1 1 calc R . .
N4 N 0.7944(3) 0.6616(5) -0.0694(3) 0.129(4) Uani 0.775(8) 1 d PD B 3
C7S C 0.7124(3) 0.7300(4) -0.0632(4) 0.114(4) Uani 0.775(8) 1 d PD B 3
H7S1 H 0.7025 0.7128 -0.0353 0.171 Uiso 0.775(8) 1 calc PR B 3
H7S2 H 0.6798 0.7295 -0.0961 0.171 Uiso 0.775(8) 1 calc PR B 3
H7S3 H 0.7253 0.7723 -0.0544 0.171 Uiso 0.775(8) 1 calc PR B 3
C7SA C 0.7878(7) 0.7349(9) -0.0898(5) 0.051(5) Uani 0.225(8) 1 d PD B 4
H7S4 H 0.8228 0.7161 -0.0872 0.076 Uiso 0.225(8) 1 calc PR B 4
H7S5 H 0.7955 0.7731 -0.0698 0.076 Uiso 0.225(8) 1 calc PR B 4
H7S6 H 0.7650 0.7437 -0.1265 0.076 Uiso 0.225(8) 1 calc PR B 4
N4A N 0.7097(14) 0.6593(16) -0.0831(10) 0.177(18) Uani 0.225(8) 1 d PD B 4
C8S C 0.7577(3) 0.6925(4) -0.0688(2) 0.114(3) Uani 1 1 d D . .
C2BS C 0.530(2) 1.0590(13) 0.2103(14) 0.039(14) Uani 0.081(4) 1 d PD A 1
H2BA H 0.4912 1.0546 0.2065 0.058 Uiso 0.081(4) 1 calc PR A 1
H2BB H 0.5376 1.1021 0.2057 0.058 Uiso 0.081(4) 1 calc PR A 1
H2BC H 0.5546 1.0452 0.2451 0.058 Uiso 0.081(4) 1 calc PR A 1
N1AS N 0.5604(11) 0.9816(13) 0.1551(12) 0.007(6) Uani 0.081(4) 1 d PD A 1
C2S C 0.5420(5) 1.0747(3) 0.2056(4) 0.152(5) Uani 0.837(8) 1 d PD A 2
H2SA H 0.5797 1.0918 0.2195 0.227 Uiso 0.837(8) 1 calc PR A 2
H2SB H 0.5324 1.0605 0.2345 0.227 Uiso 0.837(8) 1 calc PR A 2
H2SC H 0.5156 1.1063 0.1858 0.227 Uiso 0.837(8) 1 calc PR A 2
N1 N 0.5377(3) 0.9856(3) 0.1417(3) 0.084(2) Uani 0.837(8) 1 d PD A 2
C1S C 0.5397(3) 1.0209(3) 0.1697(2) 0.0841(17) Uani 1 1 d D . .
Cl1 Cl -0.2291(4) 1.3103(5) 0.0789(4) 0.085(3) Uani 0.279(17) 1 d PD C 4
Cl2 Cl -0.1232(5) 1.2668(11) 0.0870(7) 0.113(5) Uani 0.279(17) 1 d PD C 4
C5S C -0.1587(4) 1.3091(19) 0.1170(10) 0.082(12) Uani 0.279(17) 1 d PD C 4
H5SA H -0.1441 1.3515 0.1228 0.099 Uiso 0.279(17) 1 calc PR C 4
H5SB H -0.1525 1.2909 0.1515 0.099 Uiso 0.279(17) 1 calc PR C 4
Cl2B Cl -0.1330(10) 1.2319(12) 0.1028(6) 0.118(9) Uani 0.215(17) 1 d PD D 5
Cl1B Cl -0.2356(9) 1.284(2) 0.0812(8) 0.177(12) Uani 0.215(17) 1 d PD D 5
C5SB C -0.1652(10) 1.2952(16) 0.1163(18) 0.23(5) Uani 0.215(17) 1 d PD D 5
H5SC H -0.1570 1.2979 0.1541 0.272 Uiso 0.215(17) 1 calc PR D 5
H5SD H -0.1526 1.3334 0.1050 0.272 Uiso 0.215(17) 1 calc PR D 5
N6S N -0.1602(7) 1.2614(9) 0.0481(6) 0.147(8) Uani 0.430(9) 1 d PD E 6
C6SB C -0.1630(8) 1.3317(8) 0.1192(7) 0.086(6) Uani 0.430(9) 1 d PD E 6
H6SA H -0.1868 1.3238 0.1385 0.128 Uiso 0.430(9) 1 calc PR E 6
H6SB H -0.1757 1.3689 0.0981 0.128 Uiso 0.430(9) 1 calc PR E 6
H6SC H -0.1246 1.3373 0.1439 0.128 Uiso 0.430(9) 1 calc PR E 6
C6S C -0.1657(7) 1.2827(8) 0.0869(9) 0.114(8) Uani 0.430(9) 1 d PD E 6
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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
P3 Ag1 P2 120.85(3) . . ?
P3 Ag1 P1 138.82(3) . . ?
P2 Ag1 P1 84.65(2) . . ?
P3 Ag1 P4 84.61(3) . . ?
P2 Ag1 P4 117.40(4) . . ?
P1 Ag1 P4 113.48(3) . . ?
P6 Ag2 P7 127.27(3) . . ?
P6 Ag2 P8 124.88(3) . . ?
P7 Ag2 P8 86.06(3) . . ?
P6 Ag2 P5 85.24(3) . . ?
P7 Ag2 P5 124.36(3) . . ?
P8 Ag2 P5 112.67(3) . . ?
C17 P1 C1 102.44(13) . . ?
C17 P1 C23 106.89(14) . . ?
C1 P1 C23 102.64(13) . . ?
C17 P1 Ag1 113.58(9) . . ?
C1 P1 Ag1 103.42(9) . . ?
C23 P1 Ag1 124.86(10) . . ?
C29 P2 C35 102.87(14) . . ?
C29 P2 C2 104.89(13) . . ?
C35 P2 C2 104.07(13) . . ?
C29 P2 Ag1 115.27(10) . . ?
C35 P2 Ag1 123.57(11) . . ?
C2 P2 Ag1 104.30(9) . . ?
C47 P3 C41 107.29(15) . . ?
C47 P3 C9 101.13(13) . . ?
C41 P3 C9 102.20(14) . . ?
C47 P3 Ag1 124.95(11) . . ?
C41 P3 Ag1 113.98(10) . . ?
C9 P3 Ag1 103.90(9) . . ?
C53 P4 C10 103.42(13) . . ?
C53 P4 C59 106.78(14) . . ?
C10 P4 C59 102.39(13) . . ?
C53 P4 Ag1 121.59(10) . . ?
C10 P4 Ag1 104.27(9) . . ?
C59 P4 Ag1 115.82(11) . . ?
C117 P5 C110 105.56(13) . . ?
C117 P5 C123 105.67(14) . . ?
C110 P5 C123 101.47(13) . . ?
C117 P5 Ag2 119.41(9) . . ?
C110 P5 Ag2 101.98(9) . . ?
C123 P5 Ag2 120.12(10) . . ?
C129 P6 C135 103.29(14) . . ?
C129 P6 C109 105.46(13) . . ?
C135 P6 C109 103.36(13) . . ?
C129 P6 Ag2 126.51(10) . . ?
C135 P6 Ag2 113.37(10) . . ?
C109 P6 Ag2 102.43(9) . . ?
C141 P7 C147 106.17(14) . . ?
C141 P7 C102 102.16(13) . . ?
C147 P7 C102 104.76(13) . . ?
C141 P7 Ag2 126.87(10) . . ?
C147 P7 Ag2 111.42(9) . . ?
C102 P7 Ag2 102.95(9) . . ?
C101 P8 C159 104.06(13) . . ?
C101 P8 C153 103.34(14) . . ?
C159 P8 C153 106.17(15) . . ?
C101 P8 Ag2 102.85(9) . . ?
C159 P8 Ag2 128.24(10) . . ?
C153 P8 Ag2 109.44(11) . . ?
C3 S1 C1 95.77(13) . . ?
C2 S2 C3 95.63(13) . . ?
C6 S3 C4 95.94(14) . . ?
C4 S4 C5 95.64(14) . . ?
C11 S5 C9 94.43(13) . . ?
C11 S6 C10 93.98(13) . . ?
C12 S7 C13 95.34(14) . . ?
C12 S8 C14 95.18(14) . . ?
C111 S11 C110 95.57(13) . . ?
C109 S12 C111 95.26(13) . . ?
C112 S13 C114 96.18(14) . . ?
C112 S14 C113 95.82(14) . . ?
C101 S15 C103 94.77(13) . . ?
C102 S16 C103 94.62(13) . . ?
C104 S17 C105 95.44(13) . . ?
C104 S18 C106 95.48(14) . . ?
C2 C1 S1 117.1(2) . . ?
C2 C1 P1 124.3(2) . . ?
S1 C1 P1 118.58(15) . . ?
C1 C2 S2 117.2(2) . . ?
C1 C2 P2 122.9(2) . . ?
S2 C2 P2 119.93(16) . . ?
C4 C3 S1 123.5(2) . . ?
C4 C3 S2 122.7(2) . . ?
S1 C3 S2 113.84(15) . . ?
C3 C4 S3 122.5(2) . . ?
C3 C4 S4 123.8(2) . . ?
S3 C4 S4 113.66(15) . . ?
C6 C5 C7 127.5(3) . . ?
C6 C5 S4 116.9(2) . . ?
C7 C5 S4 115.6(2) . . ?
C5 C6 C8 127.2(3) . . ?
C5 C6 S3 117.7(2) . . ?
C8 C6 S3 115.0(2) . . ?
C10 C9 S5 116.5(2) . . ?
C10 C9 P3 124.4(2) . . ?
S5 C9 P3 119.03(16) . . ?
C9 C10 S6 116.9(2) . . ?
C9 C10 P4 122.8(2) . . ?
S6 C10 P4 120.39(16) . . ?
C12 C11 S5 121.8(2) . . ?
C12 C11 S6 125.1(2) . . ?
S5 C11 S6 113.10(15) . . ?
C11 C12 S8 125.0(2) . . ?
C11 C12 S7 121.5(2) . . ?
S8 C12 S7 113.56(16) . . ?
C14 C13 C15 128.3(3) . . ?
C14 C13 S7 117.0(2) . . ?
C15 C13 S7 114.7(2) . . ?
C13 C14 C16 126.5(3) . . ?
C13 C14 S8 117.0(2) . . ?
C16 C14 S8 116.4(2) . . ?
C102 C101 S15 117.3(2) . . ?
C102 C101 P8 124.2(2) . . ?
S15 C101 P8 118.52(16) . . ?
C101 C102 S16 116.5(2) . . ?
C101 C102 P7 123.8(2) . . ?
S16 C102 P7 119.63(15) . . ?
C104 C103 S15 122.6(2) . . ?
C104 C103 S16 124.0(2) . . ?
S15 C103 S16 113.46(15) . . ?
C103 C104 S18 123.3(2) . . ?
C103 C104 S17 122.4(2) . . ?
S18 C104 S17 114.27(15) . . ?
C106 C105 C107 127.1(3) . . ?
C106 C105 S17 117.0(2) . . ?
C107 C105 S17 115.8(2) . . ?
C105 C106 C108 127.7(3) . . ?
C105 C106 S18 117.4(2) . . ?
C108 C106 S18 114.8(2) . . ?
C110 C109 S12 117.7(2) . . ?
C110 C109 P6 123.6(2) . . ?
S12 C109 P6 118.51(16) . . ?
C109 C110 S11 116.9(2) . . ?
C109 C110 P5 123.6(2) . . ?
S11 C110 P5 119.18(15) . . ?
C112 C111 S11 123.0(2) . . ?
C112 C111 S12 122.7(2) . . ?
S11 C111 S12 114.37(15) . . ?
C111 C112 S14 122.9(2) . . ?
C111 C112 S13 123.3(2) . . ?
S14 C112 S13 113.79(15) . . ?
C114 C113 C115 127.1(3) . . ?
C114 C113 S14 117.4(2) . . ?
C115 C113 S14 115.6(2) . . ?
C113 C114 C116 127.3(3) . . ?
C113 C114 S13 116.8(2) . . ?
C116 C114 S13 115.9(2) . . ?
C22 C17 C18 118.7(3) . . ?
C22 C17 P1 122.7(2) . . ?
C18 C17 P1 117.9(2) . . ?
C19 C18 C17 120.2(3) . . ?
C20 C19 C18 120.3(3) . . ?
C21 C20 C19 120.4(3) . . ?
C20 C21 C22 120.1(3) . . ?
C17 C22 C21 120.2(3) . . ?
C28 C23 C24 119.2(3) . . ?
C28 C23 P1 116.6(2) . . ?
C24 C23 P1 124.2(2) . . ?
C25 C24 C23 120.1(3) . . ?
C24 C25 C26 120.4(3) . . ?
C27 C26 C25 120.0(3) . . ?
C26 C27 C28 120.2(3) . . ?
C23 C28 C27 120.2(3) . . ?
C30 C29 C34 118.3(3) . . ?
C30 C29 P2 123.4(2) . . ?
C34 C29 P2 118.1(2) . . ?
C31 C30 C29 120.3(3) . . ?
C32 C31 C30 120.4(3) . . ?
C31 C32 C33 120.3(3) . . ?
C34 C33 C32 119.6(3) . . ?
C33 C34 C29 121.0(3) . . ?
C36 C35 C40 119.0(3) . . ?
C36 C35 P2 122.5(3) . . ?
C40 C35 P2 118.5(2) . . ?
C37 C36 C35 120.3(4) . . ?
C38 C37 C36 120.2(4) . . ?
C37 C38 C39 120.5(3) . . ?
C38 C39 C40 119.8(4) . . ?
C39 C40 C35 120.3(4) . . ?
C42 C41 C46 119.2(3) . . ?
C42 C41 P3 122.3(3) . . ?
C46 C41 P3 118.0(3) . . ?
C41 C42 C43 119.7(4) . . ?
C44 C43 C42 119.5(4) . . ?
C43 C44 C45 121.3(4) . . ?
C44 C45 C46 119.3(5) . . ?
C45 C46 C41 121.0(4) . . ?
C52 C47 C48 118.6(3) . . ?
C52 C47 P3 125.2(3) . . ?
C48 C47 P3 116.0(2) . . ?
C49 C48 C47 120.6(4) . . ?
C50 C49 C48 120.0(4) . . ?
C51 C50 C49 120.3(4) . . ?
C50 C51 C52 120.2(4) . . ?
C47 C52 C51 120.2(4) . . ?
C54 C53 C58 119.2(3) . . ?
C54 C53 P4 118.3(2) . . ?
C58 C53 P4 122.2(2) . . ?
C53 C54 C55 119.8(3) . . ?
C56 C55 C54 121.0(4) . . ?
C55 C56 C57 119.5(3) . . ?
C58 C57 C56 120.2(3) . . ?
C57 C58 C53 120.2(3) . . ?
C60 C59 C64 119.3(3) . . ?
C60 C59 P4 124.5(3) . . ?
C64 C59 P4 116.1(2) . . ?
C59 C60 C61 120.0(4) . . ?
C62 C61 C60 120.2(4) . . ?
C61 C62 C63 120.4(3) . . ?
C62 C63 C64 119.5(4) . . ?
C59 C64 C63 120.4(3) . . ?
C122 C117 C118 118.2(3) . . ?
C122 C117 P5 119.5(3) . . ?
C118 C117 P5 121.9(2) . . ?
C119 C118 C117 120.7(4) . . ?
C120 C119 C118 120.4(4) . . ?
C121 C120 C119 119.5(4) . . ?
C120 C121 C122 120.5(4) . . ?
C117 C122 C121 120.6(4) . . ?
C128 C123 C124 119.0(3) . . ?
C128 C123 P5 124.5(2) . . ?
C124 C123 P5 116.4(2) . . ?
C125 C124 C123 120.6(3) . . ?
C126 C125 C124 119.7(4) . . ?
C127 C126 C125 120.3(3) . . ?
C126 C127 C128 119.8(3) . . ?
C123 C128 C127 120.5(3) . . ?
C130 C129 C134 119.2(3) . . ?
C130 C129 P6 118.5(2) . . ?
C134 C129 P6 122.3(2) . . ?
C131 C130 C129 120.6(3) . . ?
C132 C131 C130 119.7(3) . . ?
C133 C132 C131 120.5(3) . . ?
C132 C133 C134 120.6(3) . . ?
C133 C134 C129 119.5(3) . . ?
C140 C135 C136 119.0(3) . . ?
C140 C135 P6 118.4(2) . . ?
C136 C135 P6 122.4(2) . . ?
C137 C136 C135 119.4(3) . . ?
C138 C137 C136 120.7(4) . . ?
C137 C138 C139 120.0(3) . . ?
C140 C139 C138 119.9(3) . . ?
C139 C140 C135 121.0(3) . . ?
C146 C141 C142 118.8(3) . . ?
C146 C141 P7 118.0(2) . . ?
C142 C141 P7 123.1(2) . . ?
C143 C142 C141 120.2(3) . . ?
C144 C143 C142 120.7(3) . . ?
C145 C144 C143 119.2(4) . . ?
C144 C145 C146 120.8(4) . . ?
C141 C146 C145 120.3(3) . . ?
C152 C147 C148 119.0(3) . . ?
C152 C147 P7 118.6(2) . . ?
C148 C147 P7 121.6(2) . . ?
C149 C148 C147 120.2(3) . . ?
C150 C149 C148 120.2(3) . . ?
C151 C150 C149 119.9(3) . . ?
C150 C151 C152 119.9(3) . . ?
C147 C152 C151 120.8(3) . . ?
C154 C153 C158 118.9(3) . . ?
C154 C153 P8 118.9(3) . . ?
C158 C153 P8 121.3(3) . . ?
C153 C154 C155 120.7(4) . . ?
C156 C155 C154 119.3(4) . . ?
C157 C156 C155 120.6(4) . . ?
C156 C157 C158 120.6(4) . . ?
C157 C158 C153 119.8(4) . . ?
C160 C159 C164 118.6(3) . . ?
C160 C159 P8 117.2(2) . . ?
C164 C159 P8 124.2(2) . . ?
C159 C160 C161 120.6(3) . . ?
C162 C161 C160 119.9(4) . . ?
C161 C162 C163 120.3(4) . . ?
C162 C163 C164 120.3(3) . . ?
C163 C164 C159 120.3(3) . . ?
F1 B1 F3 108.8(4) . . ?
F1 B1 F2 109.4(4) . . ?
F3 B1 F2 109.1(4) . . ?
F1 B1 F4 110.9(4) . . ?
F3 B1 F4 110.0(4) . . ?
F2 B1 F4 108.6(4) . . ?
F12 B2 F13A 31(2) . . ?
F12 B2 F11 114.4(5) . . ?
F13A B2 F11 120.1(14) . . ?
F12 B2 F14 114.3(6) . . ?
F13A B2 F14 126.8(15) . . ?
F11 B2 F14 111.1(5) . . ?
F12 B2 F12A 74.8(10) . . ?
F13A B2 F12A 103(2) . . ?
F11 B2 F12A 98.0(8) . . ?
F14 B2 F12A 54.0(9) . . ?
F12 B2 F13 106.1(6) . . ?
F13A B2 F13 76(2) . . ?
F11 B2 F13 103.3(5) . . ?
F14 B2 F13 106.6(6) . . ?
F12A B2 F13 155.8(10) . . ?
F12 B2 F14A 120.7(7) . . ?
F13A B2 F14A 101.9(17) . . ?
F11 B2 F14A 123.3(7) . . ?
F14 B2 F14A 56.6(6) . . ?
F12A B2 F14A 107.8(11) . . ?
F13 B2 F14A 50.3(6) . . ?
N2 C3S C4S 178.9(6) . . ?
N4 C8S N4A 110.7(19) . . ?
N4 C8S C7SA 78.0(10) . . ?
N4A C8S C7SA 141.9(14) . . ?
N4 C8S C7S 175.0(8) . . ?
N4A C8S C7S 69.4(16) . . ?
C7SA C8S C7S 105.1(11) . . ?
N1 C1S N1AS 29.1(13) . . ?
N1 C1S C2BS 163.9(17) . . ?
N1AS C1S C2BS 155(2) . . ?
N1 C1S C2S 175.0(8) . . ?
N1AS C1S C2S 152.2(16) . . ?
C2BS C1S C2S 19.6(14) . . ?
Cl2 C5S Cl1 110.7(9) . . ?
Cl1B C5SB Cl2B 105.2(17) . . ?
N6S C6S C6SB 150(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
Ag1 P3 2.4933(8) . ?
Ag1 P2 2.5013(10) . ?
Ag1 P1 2.5118(9) . ?
Ag1 P4 2.5184(10) . ?
Ag2 P6 2.4790(9) . ?
Ag2 P7 2.4826(8) . ?
Ag2 P8 2.4944(10) . ?
Ag2 P5 2.5071(9) . ?
P1 C17 1.825(3) . ?
P1 C1 1.832(3) . ?
P1 C23 1.833(3) . ?
P2 C29 1.814(3) . ?
P2 C35 1.818(3) . ?
P2 C2 1.830(3) . ?
P3 C47 1.819(3) . ?
P3 C41 1.824(3) . ?
P3 C9 1.831(3) . ?
P4 C53 1.818(3) . ?
P4 C10 1.820(3) . ?
P4 C59 1.835(3) . ?
P5 C117 1.822(3) . ?
P5 C110 1.824(3) . ?
P5 C123 1.833(3) . ?
P6 C129 1.825(3) . ?
P6 C135 1.825(3) . ?
P6 C109 1.831(3) . ?
P7 C141 1.826(3) . ?
P7 C147 1.828(3) . ?
P7 C102 1.834(3) . ?
P8 C101 1.821(3) . ?
P8 C159 1.822(3) . ?
P8 C153 1.822(3) . ?
S1 C3 1.759(3) . ?
S1 C1 1.763(3) . ?
S2 C2 1.759(3) . ?
S2 C3 1.769(3) . ?
S3 C6 1.754(3) . ?
S3 C4 1.756(3) . ?
S4 C4 1.758(3) . ?
S4 C5 1.773(3) . ?
S5 C11 1.756(3) . ?
S5 C9 1.759(3) . ?
S6 C11 1.762(3) . ?
S6 C10 1.765(3) . ?
S7 C12 1.756(3) . ?
S7 C13 1.765(3) . ?
S8 C12 1.755(3) . ?
S8 C14 1.773(3) . ?
S11 C111 1.759(3) . ?
S11 C110 1.759(3) . ?
S12 C109 1.752(3) . ?
S12 C111 1.767(3) . ?
S13 C112 1.756(3) . ?
S13 C114 1.762(3) . ?
S14 C112 1.756(3) . ?
S14 C113 1.765(3) . ?
S15 C101 1.754(3) . ?
S15 C103 1.759(3) . ?
S16 C102 1.766(3) . ?
S16 C103 1.766(3) . ?
S17 C104 1.755(3) . ?
S17 C105 1.773(3) . ?
S18 C104 1.750(3) . ?
S18 C106 1.770(3) . ?
C1 C2 1.349(4) . ?
C3 C4 1.346(4) . ?
C5 C6 1.325(4) . ?
C5 C7 1.504(4) . ?
C6 C8 1.507(4) . ?
C9 C10 1.353(4) . ?
C11 C12 1.343(4) . ?
C13 C14 1.331(4) . ?
C13 C15 1.498(4) . ?
C14 C16 1.496(4) . ?
C101 C102 1.353(4) . ?
C103 C104 1.345(4) . ?
C105 C106 1.325(4) . ?
C105 C107 1.502(4) . ?
C106 C108 1.494(4) . ?
C109 C110 1.351(4) . ?
C111 C112 1.339(4) . ?
C113 C114 1.337(4) . ?
C113 C115 1.502(4) . ?
C114 C116 1.490(4) . ?
C17 C22 1.392(4) . ?
C17 C18 1.404(4) . ?
C18 C19 1.388(4) . ?
C19 C20 1.383(5) . ?
C20 C21 1.367(5) . ?
C21 C22 1.405(4) . ?
C23 C28 1.393(4) . ?
C23 C24 1.396(4) . ?
C24 C25 1.389(4) . ?
C25 C26 1.390(5) . ?
C26 C27 1.373(5) . ?
C27 C28 1.398(4) . ?
C29 C30 1.395(4) . ?
C29 C34 1.400(4) . ?
C30 C31 1.384(5) . ?
C31 C32 1.377(5) . ?
C32 C33 1.382(5) . ?
C33 C34 1.382(5) . ?
C35 C36 1.393(5) . ?
C35 C40 1.397(5) . ?
C36 C37 1.391(5) . ?
C37 C38 1.374(6) . ?
C38 C39 1.385(6) . ?
C39 C40 1.392(5) . ?
C41 C42 1.387(5) . ?
C41 C46 1.391(5) . ?
C42 C43 1.404(5) . ?
C43 C44 1.373(7) . ?
C44 C45 1.374(7) . ?
C45 C46 1.380(5) . ?
C47 C52 1.388(4) . ?
C47 C48 1.395(5) . ?
C48 C49 1.386(5) . ?
C49 C50 1.379(7) . ?
C50 C51 1.368(7) . ?
C51 C52 1.399(5) . ?
C53 C54 1.386(4) . ?
C53 C58 1.391(4) . ?
C54 C55 1.388(5) . ?
C55 C56 1.368(6) . ?
C56 C57 1.386(5) . ?
C57 C58 1.386(5) . ?
C59 C60 1.386(5) . ?
C59 C64 1.389(4) . ?
C60 C61 1.389(5) . ?
C61 C62 1.376(6) . ?
C62 C63 1.378(6) . ?
C63 C64 1.395(5) . ?
C117 C122 1.390(4) . ?
C117 C118 1.392(5) . ?
C118 C119 1.388(5) . ?
C119 C120 1.380(6) . ?
C120 C121 1.369(6) . ?
C121 C122 1.393(5) . ?
C123 C128 1.383(4) . ?
C123 C124 1.393(4) . ?
C124 C125 1.384(5) . ?
C125 C126 1.383(5) . ?
C126 C127 1.380(5) . ?
C127 C128 1.392(5) . ?
C129 C130 1.386(4) . ?
C129 C134 1.402(4) . ?
C130 C131 1.385(5) . ?
C131 C132 1.377(5) . ?
C132 C133 1.372(5) . ?
C133 C134 1.385(4) . ?
C135 C140 1.388(4) . ?
C135 C136 1.399(4) . ?
C136 C137 1.397(5) . ?
C137 C138 1.374(5) . ?
C138 C139 1.383(6) . ?
C139 C140 1.381(5) . ?
C141 C146 1.383(4) . ?
C141 C142 1.398(4) . ?
C142 C143 1.388(5) . ?
C143 C144 1.379(6) . ?
C144 C145 1.378(6) . ?
C145 C146 1.394(5) . ?
C147 C152 1.386(4) . ?
C147 C148 1.395(4) . ?
C148 C149 1.392(4) . ?
C149 C150 1.384(5) . ?
C150 C151 1.384(5) . ?
C151 C152 1.392(5) . ?
C153 C154 1.382(5) . ?
C153 C158 1.399(5) . ?
C154 C155 1.393(5) . ?
C155 C156 1.390(6) . ?
C156 C157 1.354(6) . ?
C157 C158 1.393(5) . ?
C159 C160 1.385(4) . ?
C159 C164 1.401(4) . ?
C160 C161 1.395(5) . ?
C161 C162 1.369(6) . ?
C162 C163 1.378(6) . ?
C163 C164 1.380(5) . ?
F4 B1 1.382(6) . ?
F3 B1 1.374(5) . ?
F2 B1 1.374(5) . ?
F1 B1 1.370(6) . ?
F11 B2 1.341(5) . ?
F14 B2 1.345(6) . ?
F12 B2 1.328(8) . ?
F13 B2 1.371(7) . ?
F14A B2 1.398(12) . ?
F12A B2 1.350(14) . ?
F13A B2 1.33(2) . ?
N2 C3S 1.132(7) . ?
C3S C4S 1.445(8) . ?
N4 C8S 1.152(10) . ?
C7S C8S 1.463(11) . ?
C7SA C8S 1.444(15) . ?
N4A C8S 1.337(18) . ?
C2BS C1S 1.47(3) . ?
N1AS C1S 1.14(2) . ?
C2S C1S 1.493(9) . ?
N1 C1S 1.061(8) . ?
Cl1 C5S 1.6964(12) . ?
Cl2 C5S 1.6955(11) . ?
Cl2B C5SB 1.6963(12) . ?
Cl1B C5SB 1.6959(13) . ?
N6S C6S 1.21(2) . ?
C6SB C6S 1.352(18) . ?
