#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:06:50 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179952 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/47/7024749.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_7024749
loop_
_publ_author_name
'Koshevoy, Igor O.'
'Karttunen, Antti J.'
'Lin, Yi-Chih'
'Lin, Chao-Chen'
'Chou, Pi-Tai'
'Tunik, Sergey P.'
'Haukka, Matti'
'Pakkanen, Tapani A.'
_publ_section_title
;
 Synthesis, photophysical and theoretical studies of luminescent
 silver(I)-copper(I) alkynyl-diphosphine complexes.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2395
_journal_page_last               2403
_journal_paper_doi               10.1039/b920856a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety
'C232 H180 Ag8 Cu2 N2 P12, 12(C2 H3 N), 4(F6 P)'
_chemical_formula_sum            'C256 H216 Ag8 Cu2 F24 N14 P16'
_chemical_formula_weight         5429.99
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 94.60(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   40.051(8)
_cell_length_b                   17.034(3)
_cell_length_c                   35.984(7)
_cell_measurement_reflns_used    7107
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     24470(8)
_computing_cell_refinement       'EvalCCD (Duisenberg, 2003)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2008)'
_computing_data_reduction        'EvalCCD (Duisenberg, 2003)'
_computing_molecular_graphics    'Diamond v.3.1f (Brandenburg, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            55385
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.974
_exptl_absorpt_correction_T_max  0.9089
_exptl_absorpt_correction_T_min  0.6273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             10960
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.020
_refine_diff_density_min         -2.082
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1452
_refine_ls_number_reflns         25718
_refine_ls_number_restraints     205
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0742P)²+295.0773P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1418
_refine_ls_wR_factor_ref         0.1579
_reflns_number_gt                19275
_reflns_number_total             25718
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b920856a.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7024749
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.239945(10) 0.08891(2) 0.509768(11) 0.01517(10) Uani 1 1 d . . .
Ag2 Ag 0.312132(10) 0.16474(2) 0.511510(11) 0.01554(10) Uani 1 1 d . . .
Ag3 Ag 0.206689(10) 0.18428(2) 0.441115(10) 0.01458(10) Uani 1 1 d . . .
Ag4 Ag 0.350748(10) 0.30378(2) 0.295616(10) 0.01383(9) Uani 1 1 d . . .
Cu1 Cu 0.233721(16) 0.24218(4) 0.533820(17) 0.01252(13) Uani 1 1 d . . .
P1 P 0.22122(4) -0.02598(8) 0.54167(4) 0.0144(3) Uani 1 1 d . . .
P2 P 0.36593(3) 0.11545(8) 0.49458(4) 0.0157(3) Uani 1 1 d . . .
P3 P 0.18915(3) 0.15524(8) 0.37654(4) 0.0132(3) Uani 1 1 d . . .
P4 P 0.39875(3) 0.28758(8) 0.34232(4) 0.0152(3) Uani 1 1 d . . .
P5 P 0.31446(3) 0.19071(8) 0.27657(4) 0.0141(3) Uani 1 1 d . . .
P6 P 0.17954(3) 0.07005(8) 0.70510(4) 0.0142(3) Uani 1 1 d . . .
N1 N 0.38577(14) 0.3136(3) 0.24386(14) 0.0292(12) Uani 1 1 d . . .
C1 C 0.19480(14) 0.1923(3) 0.50619(14) 0.0159(11) Uani 1 1 d . . .
C2 C 0.16951(14) 0.1572(3) 0.49394(14) 0.0153(11) Uani 1 1 d . . .
C3 C 0.13764(13) 0.1189(3) 0.48711(15) 0.0166(11) Uani 1 1 d . . .
C4 C 0.12821(15) 0.0796(3) 0.45414(17) 0.0227(12) Uani 1 1 d . . .
H4 H 0.1435 0.0754 0.4354 0.027 Uiso 1 1 calc R . .
C5 C 0.09676(16) 0.0464(4) 0.4484(2) 0.0339(15) Uani 1 1 d . . .
H5 H 0.0905 0.0198 0.4257 0.041 Uiso 1 1 calc R . .
C6 C 0.07462(17) 0.0518(4) 0.4753(2) 0.0406(18) Uani 1 1 d . . .
H6 H 0.0530 0.0289 0.4712 0.049 Uiso 1 1 calc R . .
C7 C 0.08352(17) 0.0906(4) 0.5086(2) 0.0376(17) Uani 1 1 d . . .
H7 H 0.0681 0.0939 0.5273 0.045 Uiso 1 1 calc R . .
C8 C 0.11483(16) 0.1241(4) 0.51434(18) 0.0293(14) Uani 1 1 d U . .
H8 H 0.1209 0.1510 0.5370 0.035 Uiso 1 1 calc R . .
C9 C 0.27060(13) 0.1771(3) 0.55704(14) 0.0133(10) Uani 1 1 d . . .
C10 C 0.29142(14) 0.1400(3) 0.57681(14) 0.0149(11) Uani 1 1 d . . .
C11 C 0.31100(14) 0.0917(3) 0.60324(14) 0.0156(11) Uani 1 1 d . . .
C12 C 0.29465(15) 0.0543(3) 0.63151(15) 0.0194(11) Uani 1 1 d . . .
H12 H 0.2718 0.0656 0.6346 0.023 Uiso 1 1 calc R . .
C13 C 0.31196(16) 0.0008(3) 0.65477(16) 0.0249(13) Uani 1 1 d . . .
H13 H 0.3009 -0.0244 0.6739 0.030 Uiso 1 1 calc R . .
C14 C 0.34500(16) -0.0162(4) 0.65046(16) 0.0254(13) Uani 1 1 d . . .
H14 H 0.3565 -0.0543 0.6660 0.030 Uiso 1 1 calc R . .
C15 C 0.36144(15) 0.0226(4) 0.62340(16) 0.0254(13) Uani 1 1 d . . .
H15 H 0.3845 0.0124 0.6210 0.031 Uiso 1 1 calc R . .
C16 C 0.34446(14) 0.0761(3) 0.59980(15) 0.0197(12) Uani 1 1 d . . .
H16 H 0.3559 0.1022 0.5812 0.024 Uiso 1 1 calc R . .
C17 C 0.26616(13) 0.1437(3) 0.45711(14) 0.0138(10) Uani 1 1 d . . .
C18 C 0.27149(14) 0.0751(3) 0.44983(14) 0.0161(11) Uani 1 1 d . . .
C19 C 0.28117(14) -0.0016(3) 0.43780(15) 0.0173(11) Uani 1 1 d . . .
C20 C 0.29024(14) -0.0598(3) 0.46384(16) 0.0198(12) Uani 1 1 d . . .
H20 H 0.2890 -0.0493 0.4896 0.024 Uiso 1 1 calc R . .
C21 C 0.30096(16) -0.1322(3) 0.45271(18) 0.0258(13) Uani 1 1 d . . .
H21 H 0.3071 -0.1714 0.4708 0.031 Uiso 1 1 calc R . .
C22 C 0.30280(16) -0.1479(4) 0.41527(19) 0.0311(15) Uani 1 1 d . . .
H22 H 0.3103 -0.1978 0.4076 0.037 Uiso 1 1 calc R . .
C23 C 0.29386(16) -0.0914(4) 0.38920(17) 0.0301(15) Uani 1 1 d . . .
H23 H 0.2951 -0.1025 0.3635 0.036 Uiso 1 1 calc R . .
C24 C 0.28314(16) -0.0186(4) 0.40009(16) 0.0252(13) Uani 1 1 d . . .
H24 H 0.2771 0.0201 0.3818 0.030 Uiso 1 1 calc R . .
C25 C 0.37142(14) 0.0124(3) 0.48387(15) 0.0191(11) Uani 1 1 d . . .
C26 C 0.37793(16) -0.0139(4) 0.44852(17) 0.0270(13) Uani 1 1 d . . .
H26 H 0.3777 0.0221 0.4283 0.032 Uiso 1 1 calc R . .
C27 C 0.38471(18) -0.0922(4) 0.44282(19) 0.0343(15) Uani 1 1 d . . .
H27 H 0.3892 -0.1095 0.4186 0.041 Uiso 1 1 calc R . .
C28 C 0.38506(17) -0.1456(4) 0.47154(19) 0.0332(15) Uani 1 1 d . . .
H28 H 0.3900 -0.1992 0.4673 0.040 Uiso 1 1 calc R . .
C29 C 0.37815(17) -0.1202(4) 0.50657(19) 0.0317(15) Uani 1 1 d . . .
H29 H 0.3785 -0.1565 0.5266 0.038 Uiso 1 1 calc R . .
C30 C 0.37069(16) -0.0422(4) 0.51251(17) 0.0255(13) Uani 1 1 d . . .
H30 H 0.3650 -0.0257 0.5364 0.031 Uiso 1 1 calc R . .
C31 C 0.40239(14) 0.1390(3) 0.52634(14) 0.0182(11) Uani 1 1 d . . .
C32 C 0.40275(14) 0.2089(4) 0.54469(15) 0.0214(12) Uani 1 1 d . . .
H32 H 0.3832 0.2408 0.5432 0.026 Uiso 1 1 calc R . .
C33 C 0.43150(16) 0.2341(4) 0.56552(17) 0.0297(14) Uani 1 1 d . . .
H33 H 0.4317 0.2836 0.5777 0.036 Uiso 1 1 calc R . .
C34 C 0.45964(17) 0.1874(4) 0.56859(18) 0.0340(16) Uani 1 1 d . . .
H34 H 0.4792 0.2044 0.5830 0.041 Uiso 1 1 calc R . .
C35 C 0.45928(16) 0.1158(5) 0.55063(19) 0.0354(16) Uani 1 1 d . . .
H35 H 0.4785 0.0830 0.5532 0.042 Uiso 1 1 calc R . .
C36 C 0.43111(15) 0.0914(4) 0.52894(17) 0.0261(13) Uani 1 1 d . . .
H36 H 0.4312 0.0429 0.5159 0.031 Uiso 1 1 calc R . .
C37 C 0.15858(14) 0.2223(3) 0.35373(14) 0.0161(11) Uani 1 1 d . . .
C38 C 0.16551(15) 0.2707(3) 0.32437(15) 0.0198(12) Uani 1 1 d . . .
H38 H 0.1873 0.2704 0.3156 0.024 Uiso 1 1 calc R . .
C39 C 0.14111(16) 0.3192(4) 0.30775(17) 0.0261(13) Uani 1 1 d . . .
H39 H 0.1461 0.3522 0.2877 0.031 Uiso 1 1 calc R . .
C40 C 0.10949(17) 0.3200(4) 0.32017(18) 0.0317(15) Uani 1 1 d . . .
H40 H 0.0925 0.3526 0.3084 0.038 Uiso 1 1 calc R . .
C41 C 0.10261(17) 0.2733(5) 0.34976(19) 0.0355(16) Uani 1 1 d . . .
H41 H 0.0809 0.2747 0.3587 0.043 Uiso 1 1 calc R . .
C42 C 0.12675(15) 0.2248(4) 0.36647(17) 0.0267(13) Uani 1 1 d . . .
H42 H 0.1216 0.1927 0.3869 0.032 Uiso 1 1 calc R . .
C43 C 0.17305(14) 0.0579(3) 0.36513(15) 0.0171(11) Uani 1 1 d . . .
C44 C 0.14702(16) 0.0443(4) 0.33795(17) 0.0259(13) Uani 1 1 d . . .
H44 H 0.1356 0.0871 0.3256 0.031 Uiso 1 1 calc R . .
C45 C 0.13780(18) -0.0324(4) 0.32893(19) 0.0323(15) Uani 1 1 d . . .
H45 H 0.1201 -0.0420 0.3103 0.039 Uiso 1 1 calc R . .
C46 C 0.15396(18) -0.0946(4) 0.34668(18) 0.0319(15) Uani 1 1 d . . .
H46 H 0.1473 -0.1468 0.3404 0.038 Uiso 1 1 calc R . .
C47 C 0.17991(17) -0.0816(3) 0.37365(17) 0.0273(14) Uani 1 1 d . . .
H47 H 0.1913 -0.1247 0.3856 0.033 Uiso 1 1 calc R . .
C48 C 0.18921(15) -0.0053(3) 0.38319(16) 0.0207(12) Uani 1 1 d . . .
H48 H 0.2067 0.0038 0.4021 0.025 Uiso 1 1 calc R . .
C49 C 0.22477(13) 0.1623(3) 0.34818(14) 0.0138(10) Uani 1 1 d . . .
C50 C 0.24593(14) 0.2270(3) 0.35281(14) 0.0165(11) Uani 1 1 d . . .
H50 H 0.2421 0.2658 0.3710 0.020 Uiso 1 1 calc R . .
C51 C 0.27256(14) 0.2347(3) 0.33084(14) 0.0166(11) Uani 1 1 d . . .
H51 H 0.2868 0.2793 0.3340 0.020 Uiso 1 1 calc R . .
C52 C 0.27893(13) 0.1789(3) 0.30440(14) 0.0145(10) Uani 1 1 d . . .
C53 C 0.25823(14) 0.1129(3) 0.30048(14) 0.0165(11) Uani 1 1 d . . .
H53 H 0.2627 0.0730 0.2831 0.020 Uiso 1 1 calc R . .
C54 C 0.23122(14) 0.1056(3) 0.32182(14) 0.0160(11) Uani 1 1 d . . .
H54 H 0.2169 0.0614 0.3185 0.019 Uiso 1 1 calc R . .
C55 C 0.29614(14) 0.1977(3) 0.22868(14) 0.0168(11) Uani 1 1 d . . .
C56 C 0.31763(16) 0.2085(3) 0.20041(16) 0.0229(12) Uani 1 1 d . . .
H56 H 0.3412 0.2100 0.2064 0.028 Uiso 1 1 calc R . .
C57 C 0.30489(18) 0.2171(4) 0.16352(16) 0.0283(14) Uani 1 1 d . . .
H57 H 0.3196 0.2225 0.1443 0.034 Uiso 1 1 calc R . .
C58 C 0.27068(17) 0.2179(3) 0.15514(16) 0.0272(14) Uani 1 1 d . . .
H58 H 0.2619 0.2238 0.1300 0.033 Uiso 1 1 calc R . .
C59 C 0.24918(17) 0.2102(3) 0.18280(16) 0.0259(13) Uani 1 1 d . . .
H59 H 0.2257 0.2122 0.1768 0.031 Uiso 1 1 calc R . .
C60 C 0.26184(15) 0.1995(3) 0.21950(15) 0.0195(12) Uani 1 1 d . . .
H60 H 0.2469 0.1934 0.2385 0.023 Uiso 1 1 calc R . .
C61 C 0.33495(14) 0.0951(3) 0.28155(15) 0.0173(11) Uani 1 1 d . . .
C62 C 0.35150(15) 0.0615(4) 0.25278(17) 0.0233(12) Uani 1 1 d . . .
H62 H 0.3497 0.0849 0.2287 0.028 Uiso 1 1 calc R . .
C63 C 0.37053(16) -0.0061(4) 0.25915(19) 0.0289(14) Uani 1 1 d . . .
H63 H 0.3821 -0.0281 0.2396 0.035 Uiso 1 1 calc R . .
C64 C 0.37273(16) -0.0415(4) 0.2938(2) 0.0321(15) Uani 1 1 d . . .
H64 H 0.3856 -0.0879 0.2981 0.038 Uiso 1 1 calc R . .
C65 C 0.35606(17) -0.0090(4) 0.3223(2) 0.0337(15) Uani 1 1 d . . .
H65 H 0.3572 -0.0337 0.3460 0.040 Uiso 1 1 calc R . .
C66 C 0.33767(16) 0.0593(4) 0.31638(17) 0.0257(13) Uani 1 1 d . . .
H66 H 0.3268 0.0818 0.3363 0.031 Uiso 1 1 calc R . .
C67 C 0.41017(16) 0.2936(4) 0.23305(17) 0.0308(15) Uani 1 1 d . . .
C68 C 0.44138(18) 0.2660(6) 0.2194(2) 0.049(2) Uani 1 1 d . . .
H68A H 0.4592 0.2679 0.2397 0.074 Uiso 1 1 calc R . .
H68B H 0.4474 0.2997 0.1989 0.074 Uiso 1 1 calc R . .
H68C H 0.4385 0.2119 0.2105 0.074 Uiso 1 1 calc R . .
C69 C 0.43199(14) 0.2269(3) 0.32632(15) 0.0187(11) Uani 1 1 d . . .
C70 C 0.46561(14) 0.2361(4) 0.33804(17) 0.0244(13) Uani 1 1 d . . .
H70 H 0.4724 0.2766 0.3551 0.029 Uiso 1 1 calc R . .
C71 C 0.48937(15) 0.1858(4) 0.32473(18) 0.0302(15) Uani 1 1 d . . .
H71 H 0.5124 0.1926 0.3326 0.036 Uiso 1 1 calc R . .
C72 C 0.47968(17) 0.1267(4) 0.30046(19) 0.0354(16) Uani 1 1 d . . .
H72 H 0.4961 0.0926 0.2916 0.042 Uiso 1 1 calc R . .
C73 C 0.44616(17) 0.1159(4) 0.28865(19) 0.0358(16) Uani 1 1 d . . .
H73 H 0.4395 0.0748 0.2718 0.043 Uiso 1 1 calc R . .
C74 C 0.42248(16) 0.1665(4) 0.30185(17) 0.0272(13) Uani 1 1 d . . .
H74 H 0.3995 0.1595 0.2940 0.033 Uiso 1 1 calc R . .
C75 C 0.41767(14) 0.3805(3) 0.35725(15) 0.0203(12) Uani 1 1 d . . .
C76 C 0.44006(15) 0.4181(3) 0.33539(16) 0.0229(12) Uani 1 1 d . . .
H76 H 0.4473 0.3924 0.3140 0.027 Uiso 1 1 calc R . .
C77 C 0.45162(16) 0.4921(4) 0.34463(18) 0.0299(14) Uani 1 1 d . . .
H77 H 0.4667 0.5174 0.3294 0.036 Uiso 1 1 calc R . .
C78 C 0.44156(18) 0.5299(4) 0.3758(2) 0.0379(17) Uani 1 1 d . . .
H78 H 0.4503 0.5802 0.3826 0.045 Uiso 1 1 calc R . .
C79 C 0.4186(2) 0.4938(5) 0.3969(2) 0.0425(18) Uani 1 1 d . . .
H79 H 0.4108 0.5204 0.4178 0.051 Uiso 1 1 calc R . .
C80 C 0.40710(17) 0.4191(4) 0.38793(17) 0.0300(14) Uani 1 1 d . . .
H80 H 0.3918 0.3942 0.4030 0.036 Uiso 1 1 calc R . .
C81 C 0.38960(14) 0.2406(3) 0.38587(14) 0.0174(11) Uani 1 1 d . . .
C82 C 0.35780(13) 0.2131(3) 0.39065(15) 0.0167(11) Uani 1 1 d . . .
H82 H 0.3406 0.2193 0.3712 0.020 Uiso 1 1 calc R . .
C83 C 0.35071(14) 0.1765(3) 0.42344(15) 0.0178(11) Uani 1 1 d . . .
H83 H 0.3287 0.1584 0.4265 0.021 Uiso 1 1 calc R . .
C84 C 0.37586(14) 0.1663(3) 0.45197(15) 0.0173(11) Uani 1 1 d . . .
C85 C 0.40756(15) 0.1939(4) 0.44748(16) 0.0246(13) Uani 1 1 d . . .
H85 H 0.4248 0.1874 0.4670 0.030 Uiso 1 1 calc R . .
C86 C 0.41470(15) 0.2312(4) 0.41482(16) 0.0256(13) Uani 1 1 d . . .
H86 H 0.4367 0.2502 0.4121 0.031 Uiso 1 1 calc R . .
C87 C 0.18298(15) -0.0710(3) 0.52121(15) 0.0186(11) Uani 1 1 d . . .
C88 C 0.17807(15) -0.0775(3) 0.48291(16) 0.0230(12) Uani 1 1 d . . .
H88 H 0.1944 -0.0575 0.4677 0.028 Uiso 1 1 calc R . .
C89 C 0.14957(17) -0.1128(4) 0.46658(18) 0.0298(14) Uani 1 1 d . . .
H89 H 0.1463 -0.1168 0.4402 0.036 Uiso 1 1 calc R . .
C90 C 0.12580(17) -0.1423(4) 0.48837(19) 0.0325(15) Uani 1 1 d . . .
H90 H 0.1064 -0.1674 0.4770 0.039 Uiso 1 1 calc R . .
C91 C 0.13000(17) -0.1355(4) 0.5264(2) 0.0372(16) Uani 1 1 d . . .
H91 H 0.1133 -0.1548 0.5414 0.045 Uiso 1 1 calc R . .
C92 C 0.15874(17) -0.1002(4) 0.54294(18) 0.0301(14) Uani 1 1 d . . .
H92 H 0.1618 -0.0960 0.5693 0.036 Uiso 1 1 calc R . .
C93 C 0.25088(14) -0.1058(3) 0.54878(14) 0.0152(11) Uani 1 1 d . . .
C94 C 0.28401(15) -0.0859(3) 0.56081(15) 0.0194(11) Uani 1 1 d . . .
H94 H 0.2899 -0.0324 0.5650 0.023 Uiso 1 1 calc R . .
C95 C 0.30815(15) -0.1436(3) 0.56655(15) 0.0200(12) Uani 1 1 d . . .
H95 H 0.3304 -0.1300 0.5753 0.024 Uiso 1 1 calc R . .
C96 C 0.29964(15) -0.2215(3) 0.55945(15) 0.0205(12) Uani 1 1 d . . .
H96 H 0.3162 -0.2612 0.5628 0.025 Uiso 1 1 calc R . .
C97 C 0.26728(15) -0.2411(3) 0.54760(16) 0.0229(12) Uani 1 1 d . . .
H97 H 0.2617 -0.2946 0.5430 0.027 Uiso 1 1 calc R . .
C98 C 0.24269(15) -0.1841(3) 0.54226(15) 0.0195(11) Uani 1 1 d . . .
H98 H 0.2204 -0.1985 0.5342 0.023 Uiso 1 1 calc R . .
C99 C 0.21066(14) -0.0014(3) 0.58880(14) 0.0156(11) Uani 1 1 d . . .
C100 C 0.19355(14) 0.0683(3) 0.59395(15) 0.0167(11) Uani 1 1 d . . .
H100 H 0.1884 0.1025 0.5734 0.020 Uiso 1 1 calc R . .
C101 C 0.18401(14) 0.0882(3) 0.62867(14) 0.0165(11) Uani 1 1 d . . .
H101 H 0.1721 0.1358 0.6318 0.020 Uiso 1 1 calc R . .
C102 C 0.19164(14) 0.0392(3) 0.65942(14) 0.0158(11) Uani 1 1 d . . .
C103 C 0.20904(16) -0.0300(3) 0.65392(15) 0.0223(12) Uani 1 1 d . . .
H103 H 0.2148 -0.0636 0.6745 0.027 Uiso 1 1 calc R . .
C104 C 0.21811(15) -0.0504(3) 0.61901(15) 0.0212(12) Uani 1 1 d . . .
H104 H 0.2295 -0.0985 0.6157 0.025 Uiso 1 1 calc R . .
C105 C 0.21882(14) 0.0752(3) 0.73403(15) 0.0163(11) Uani 1 1 d . . .
C106 C 0.24981(15) 0.0786(4) 0.72000(16) 0.0227(12) Uani 1 1 d . . .
H106 H 0.2516 0.0726 0.6940 0.027 Uiso 1 1 calc R . .
C107 C 0.27860(16) 0.0908(4) 0.74382(17) 0.0275(14) Uani 1 1 d . . .
H107 H 0.2999 0.0924 0.7339 0.033 Uiso 1 1 calc R . .
C108 C 0.27637(16) 0.1005(3) 0.78117(17) 0.0238(13) Uani 1 1 d . . .
H108 H 0.2960 0.1094 0.7972 0.029 Uiso 1 1 calc R . .
C109 C 0.24538(15) 0.0973(3) 0.79575(15) 0.0221(12) Uani 1 1 d . . .
H109 H 0.2438 0.1032 0.8218 0.027 Uiso 1 1 calc R . .
C110 C 0.21672(15) 0.0856(3) 0.77228(15) 0.0183(11) Uani 1 1 d . . .
H110 H 0.1955 0.0846 0.7823 0.022 Uiso 1 1 calc R . .
C111 C 0.15857(14) -0.0155(3) 0.72247(14) 0.0181(11) Uani 1 1 d . . .
C112 C 0.12391(16) -0.0127(4) 0.72304(17) 0.0292(14) Uani 1 1 d . . .
H112 H 0.1120 0.0336 0.7156 0.035 Uiso 1 1 calc R . .
C113 C 0.10673(18) -0.0781(4) 0.7346(2) 0.0391(17) Uani 1 1 d . . .
H113 H 0.0831 -0.0761 0.7351 0.047 Uiso 1 1 calc R . .
C114 C 0.12382(19) -0.1460(4) 0.7455(2) 0.0383(17) Uani 1 1 d . . .
H114 H 0.1119 -0.1910 0.7527 0.046 Uiso 1 1 calc R . .
C115 C 0.15841(18) -0.1478(4) 0.74577(17) 0.0308(15) Uani 1 1 d . . .
H115 H 0.1703 -0.1940 0.7536 0.037 Uiso 1 1 calc R . .
C116 C 0.17583(15) -0.0829(3) 0.73474(15) 0.0221(12) Uani 1 1 d . . .
H116 H 0.1996 -0.0842 0.7355 0.027 Uiso 1 1 calc R . .
P7 P 0.40427(5) 0.77552(13) 0.61520(5) 0.0392(5) Uani 1 1 d . . .
F1 F 0.36868(12) 0.7440(3) 0.59936(14) 0.0574(13) Uani 1 1 d . . .
F2 F 0.39453(13) 0.8601(3) 0.59811(14) 0.0546(12) Uani 1 1 d . . .
F3 F 0.41897(13) 0.7514(3) 0.57630(13) 0.0573(13) Uani 1 1 d . . .
F4 F 0.43930(14) 0.8070(4) 0.63031(17) 0.085(2) Uani 1 1 d . . .
F5 F 0.41329(13) 0.6928(4) 0.63254(18) 0.0810(19) Uani 1 1 d . . .
F6 F 0.38861(15) 0.7976(4) 0.65283(14) 0.0770(18) Uani 1 1 d . . .
P8 P 0.5000 0.4560(2) 0.2500 0.0951(18) Uani 1 2 d SD . .
F7 F 0.50007(14) 0.3943(4) 0.28026(16) 0.111(3) Uani 1 1 d DU . .
F8 F 0.5007(2) 0.5192(6) 0.2802(2) 0.267(6) Uani 1 1 d DU . .
F9 F 0.5383(2) 0.4574(5) 0.2505(2) 0.173(4) Uani 1 1 d DU . .
N2 N 0.3364(2) 0.7754(5) 0.3385(2) 0.072(2) Uani 1 1 d . . .
P9 P 0.0341(2) 0.3304(4) 0.1622(3) 0.132(4) Uani 0.50 1 d PD . .
F10 F 0.0330(4) 0.2463(8) 0.1456(4) 0.152(3) Uani 0.50 1 d PD . .
F11 F -0.0061(4) 0.3233(8) 0.1682(5) 0.152(3) Uani 0.50 1 d PD . .
F12 F 0.0253(4) 0.3700(8) 0.1214(4) 0.152(3) Uani 0.50 1 d PD . .
F13 F 0.0353(4) 0.4148(8) 0.1804(4) 0.152(3) Uani 0.50 1 d PD . .
F14 F 0.0738(4) 0.3369(8) 0.1553(4) 0.152(3) Uani 0.50 1 d PD . .
F15 F 0.0442(4) 0.2930(8) 0.2033(4) 0.152(3) Uani 0.50 1 d PD . .
C117 C 0.3576(2) 0.7336(6) 0.3469(2) 0.058(3) Uani 1 1 d . . .
C118 C 0.3814(4) 0.6765(12) 0.3567(4) 0.171(10) Uani 1 1 d . . .
H11A H 0.3706 0.6249 0.3567 0.257 Uiso 1 1 calc R . .
H11B H 0.3920 0.6876 0.3817 0.257 Uiso 1 1 calc R . .
H11C H 0.3985 0.6766 0.3387 0.257 Uiso 1 1 calc R . .
N3 N 0.4410(3) 0.7117(6) 0.4366(4) 0.112(4) Uani 1 1 d . . .
C119 C 0.4644(2) 0.6821(6) 0.4488(3) 0.063(3) Uani 1 1 d . . .
C120 C 0.4931(4) 0.6444(11) 0.4638(6) 0.176(10) Uani 1 1 d . . .
H12A H 0.5016 0.6712 0.4868 0.264 Uiso 1 1 calc R . .
H12B H 0.5102 0.6458 0.4458 0.264 Uiso 1 1 calc R . .
H12C H 0.4878 0.5898 0.4694 0.264 Uiso 1 1 calc R . .
N4 N 0.4349(2) 0.0244(7) 0.1984(2) 0.083(3) Uani 1 1 d . . .
C121 C 0.4448(2) 0.0168(6) 0.1704(3) 0.058(2) Uani 1 1 d . . .
C122 C 0.4579(2) 0.0055(6) 0.1340(3) 0.065(3) Uani 1 1 d . . .
H12D H 0.4527 -0.0478 0.1251 0.098 Uiso 1 1 calc R . .
H12E H 0.4822 0.0130 0.1363 0.098 Uiso 1 1 calc R . .
H12F H 0.4476 0.0437 0.1163 0.098 Uiso 1 1 calc R . .
N5 N 0.5347(3) 0.6082(8) 0.3753(4) 0.119(4) Uani 1 1 d DU . .
C123 C 0.5388(5) 0.6334(11) 0.3422(4) 0.144(6) Uani 1 1 d DU . .
C124 C 0.5350(9) 0.6661(14) 0.3030(4) 0.35(3) Uani 1 1 d D . .
H12G H 0.5343 0.6228 0.2850 0.527 Uiso 1 1 calc R . .
H12H H 0.5542 0.7002 0.2990 0.527 Uiso 1 1 calc R . .
H12I H 0.5143 0.6966 0.2995 0.527 Uiso 1 1 calc R . .
C125 C 0.4717(5) 0.5858(12) 0.6122(5) 0.171(4) Uani 1 1 d DU . .
H12J H 0.4818 0.6032 0.6365 0.256 Uiso 1 1 calc R . .
H12K H 0.4707 0.5283 0.6117 0.256 Uiso 1 1 calc R . .
H12L H 0.4490 0.6072 0.6081 0.256 Uiso 1 1 calc R . .
C126 C 0.4918(4) 0.6133(11) 0.5830(5) 0.171(4) Uani 1 1 d DU . .
N6 N 0.5099 0.6472 0.5681 0.171(4) Uani 1 1 d DU . .
N7 N 0.0308 0.5183 0.0522 0.056(3) Uani 0.504(10) 1 d PU A 1
C127 C 0.0415 0.5308 0.0834 0.056(3) Uani 0.504(10) 1 d PU A 1
C128 C 0.0619 0.5341 0.1193 0.056(3) Uani 0.504(10) 1 d PU A 1
H12M H 0.0615 0.4827 0.1315 0.084 Uiso 0.504(10) 1 calc PR A 1
H12N H 0.0526 0.5737 0.1353 0.084 Uiso 0.504(10) 1 calc PR A 1
H12O H 0.0850 0.5479 0.1149 0.084 Uiso 0.504(10) 1 calc PR A 1
N8 N 0.0087 0.5533 0.0716 0.101(8) Uani 0.496(10) 1 d PD A 2
C129 C 0.0030 0.6087 0.0564 0.1641(6) Uani 0.496(10) 1 d PDU A 2
C130 C -0.0061 0.6796 0.0331 0.164 Uani 0.50 1 d PDU A 2
H13A H -0.0275 0.6704 0.0186 0.246 Uiso 0.496(10) 1 calc PR A 2
H13B H 0.0114 0.6893 0.0161 0.246 Uiso 0.496(10) 1 calc PR A 2
H13C H -0.0081 0.7253 0.0493 0.246 Uiso 0.496(10) 1 calc PR A 2
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'
Cu Cu 0.3201 1.2651 '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'
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
P1 Ag1 C17 148.48(13) . .
P1 Ag1 C9 108.39(12) . .
C17 Ag1 C9 94.59(17) . .
P1 Ag1 C1 109.96(13) . .
C17 Ag1 C1 92.58(17) . .
C9 Ag1 C1 85.78(17) . .
P1 Ag1 C18 120.73(12) . .
C17 Ag1 C18 27.87(17) . .
C9 Ag1 C18 111.87(17) . .
C1 Ag1 C18 114.59(16) . .
P1 Ag1 Cu1 125.15(4) . .
C17 Ag1 Cu1 86.37(13) . .
C9 Ag1 Cu1 43.65(12) . .
C1 Ag1 Cu1 43.49(13) . .
C18 Ag1 Cu1 114.04(12) . .
P1 Ag1 Ag3 131.28(4) . .
C17 Ag1 Ag3 51.19(12) . .
C9 Ag1 Ag3 111.97(12) . .
C1 Ag1 Ag3 49.09(11) . .
C18 Ag1 Ag3 66.42(12) . .
Cu1 Ag1 Ag3 73.54(2) . .
P1 Ag1 Ag2 129.71(4) . .
C17 Ag1 Ag2 53.55(12) . .
C9 Ag1 Ag2 49.20(12) . .
C1 Ag1 Ag2 111.50(13) . .
C18 Ag1 Ag2 63.16(12) . .
Cu1 Ag1 Ag2 73.36(2) . .
Ag3 Ag1 Ag2 97.63(3) . .
P2 Ag2 C9 149.75(13) . .
P2 Ag2 C1 110.54(13) . 7_556
C9 Ag2 C1 91.10(17) . 7_556
P2 Ag2 C10 121.71(13) . .
C9 Ag2 C10 28.04(17) . .
C1 Ag2 C10 110.41(16) 7_556 .
P2 Ag2 C17 110.56(12) . .
C9 Ag2 C17 92.16(17) . .
C1 Ag2 C17 83.46(17) 7_556 .
C10 Ag2 C17 113.68(17) . .
P2 Ag2 Cu1 126.38(4) . 7_556
C9 Ag2 Cu1 83.87(12) . 7_556
C1 Ag2 Cu1 42.62(13) 7_556 7_556
C10 Ag2 Cu1 111.87(12) . 7_556
C17 Ag2 Cu1 42.18(12) . 7_556
P2 Ag2 Ag1 132.85(4) . .
C9 Ag2 Ag1 51.39(12) . .
C1 Ag2 Ag1 107.86(13) 7_556 .
C10 Ag2 Ag1 65.96(12) . .
C17 Ag2 Ag1 48.58(11) . .
Cu1 Ag2 Ag1 70.65(2) 7_556 .
P2 Ag2 Ag3 131.27(4) . 7_556
C9 Ag2 Ag3 51.04(12) . 7_556
C1 Ag2 Ag3 48.37(11) 7_556 7_556
C10 Ag2 Ag3 62.73(12) . 7_556
C17 Ag2 Ag3 109.14(12) . 7_556
Cu1 Ag2 Ag3 71.88(2) 7_556 7_556
Ag1 Ag2 Ag3 94.85(2) . 7_556
P3 Ag3 C1 150.58(14) . .
P3 Ag3 C17 111.19(12) . .
C1 Ag3 C17 92.88(18) . .
P3 Ag3 C9 106.95(12) . 7_556
C1 Ag3 C9 91.14(17) . 7_556
C17 Ag3 C9 85.31(17) . 7_556
P3 Ag3 C2 122.43(13) . .
C1 Ag3 C2 28.42(18) . .
C17 Ag3 C2 112.37(17) . .
C9 Ag3 C2 112.32(16) 7_556 .
P3 Ag3 Cu1 125.31(4) . 7_556
C1 Ag3 Cu1 83.77(14) . 7_556
C17 Ag3 Cu1 43.41(12) . 7_556
C9 Ag3 Cu1 43.41(12) 7_556 7_556
C2 Ag3 Cu1 112.16(12) . 7_556
P3 Ag3 Ag1 135.72(4) . .
C1 Ag3 Ag1 51.59(12) . .
C17 Ag3 Ag1 49.05(12) . .
C9 Ag3 Ag1 109.35(12) 7_556 .
C2 Ag3 Ag1 63.82(12) . .
Cu1 Ag3 Ag1 71.40(3) 7_556 .
P3 Ag3 Ag2 127.63(4) . 7_556
C1 Ag3 Ag2 50.99(12) . 7_556
C17 Ag3 Ag2 111.04(12) . 7_556
C9 Ag3 Ag2 48.47(11) 7_556 7_556
C2 Ag3 Ag2 64.71(12) . 7_556
Cu1 Ag3 Ag2 72.46(2) 7_556 7_556
Ag1 Ag3 Ag2 95.680(19) . 7_556
N1 Ag4 P4 93.66(13) . .
N1 Ag4 P6 104.25(14) . 7_556
P4 Ag4 P6 117.42(5) . 7_556
N1 Ag4 P5 101.76(14) . .
P4 Ag4 P5 120.65(5) . .
P6 Ag4 P5 113.42(5) 7_556 .
C17 Cu1 C1 120.0(2) 7_556 .
C17 Cu1 C9 119.4(2) 7_556 .
C1 Cu1 C9 120.3(2) . .
C17 Cu1 Ag1 169.39(15) 7_556 .
C1 Cu1 Ag1 61.55(15) . .
C9 Cu1 Ag1 61.33(15) . .
C17 Cu1 Ag3 60.76(15) 7_556 7_556
C1 Cu1 Ag3 168.63(15) . 7_556
C9 Cu1 Ag3 61.52(15) . 7_556
Ag1 Cu1 Ag3 115.46(3) . 7_556
C17 Cu1 Ag2 62.44(15) 7_556 7_556
C1 Cu1 Ag2 60.17(15) . 7_556
C9 Cu1 Ag2 169.18(14) . 7_556
Ag1 Cu1 Ag2 114.66(3) . 7_556
Ag3 Cu1 Ag2 115.68(3) 7_556 7_556
C17 Cu1 Cu1 93.08(15) 7_556 7_556
C1 Cu1 Cu1 90.40(15) . 7_556
C9 Cu1 Cu1 92.04(15) . 7_556
Ag1 Cu1 Cu1 76.32(3) . 7_556
Ag3 Cu1 Cu1 78.25(3) 7_556 7_556
Ag2 Cu1 Cu1 77.15(3) 7_556 7_556
C93 P1 C87 105.2(2) . .
C93 P1 C99 103.8(2) . .
C87 P1 C99 102.9(3) . .
C93 P1 Ag1 116.75(18) . .
C87 P1 Ag1 115.68(19) . .
C99 P1 Ag1 111.00(17) . .
C25 P2 C31 103.9(3) . .
C25 P2 C84 104.0(2) . .
C31 P2 C84 101.8(3) . .
C25 P2 Ag2 120.75(19) . .
C31 P2 Ag2 116.56(19) . .
C84 P2 Ag2 107.59(18) . .
C43 P3 C37 104.9(3) . .
C43 P3 C49 102.3(2) . .
C37 P3 C49 103.6(2) . .
C43 P3 Ag3 118.28(18) . .
C37 P3 Ag3 115.88(17) . .
C49 P3 Ag3 110.10(17) . .
C69 P4 C75 106.9(3) . .
C69 P4 C81 103.1(3) . .
C75 P4 C81 103.6(3) . .
C69 P4 Ag4 113.52(19) . .
C75 P4 Ag4 112.83(19) . .
C81 P4 Ag4 115.83(19) . .
C52 P5 C55 104.8(3) . .
C52 P5 C61 102.3(2) . .
C55 P5 C61 107.1(2) . .
C52 P5 Ag4 113.73(17) . .
C55 P5 Ag4 113.20(18) . .
C61 P5 Ag4 114.67(18) . .
C111 P6 C105 104.2(3) . .
C111 P6 C102 104.0(2) . .
C105 P6 C102 104.4(3) . .
C111 P6 Ag4 117.49(19) . 7_556
C105 P6 Ag4 111.47(18) . 7_556
C102 P6 Ag4 113.99(18) . 7_556
C67 N1 Ag4 144.2(5) . .
C2 C1 Cu1 170.7(4) . .
C2 C1 Ag3 81.2(3) . .
Cu1 C1 Ag3 107.6(2) . .
C2 C1 Ag1 104.2(4) . .
Cu1 C1 Ag1 74.97(18) . .
Ag3 C1 Ag1 79.32(15) . .
C2 C1 Ag2 108.0(4) . 7_556
Cu1 C1 Ag2 77.20(18) . 7_556
Ag3 C1 Ag2 80.64(15) . 7_556
Ag1 C1 Ag2 138.6(2) . 7_556
C1 C2 C3 168.2(5) . .
C1 C2 Ag3 70.4(3) . .
C3 C2 Ag3 121.2(4) . .
C4 C3 C8 118.8(5) . .
C4 C3 C2 122.8(5) . .
C8 C3 C2 118.3(5) . .
C5 C4 C3 120.5(6) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C6 C5 C4 120.2(6) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C7 120.4(6) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C8 C7 C6 119.6(6) . .
C8 C7 H7 120.2 . .
C6 C7 H7 120.2 . .
C7 C8 C3 120.5(6) . .
C7 C8 H8 119.8 . .
C3 C8 H8 119.8 . .
C10 C9 Cu1 169.5(4) . .
C10 C9 Ag2 82.9(3) . .
Cu1 C9 Ag2 106.9(2) . .
C10 C9 Ag1 111.0(4) . .
Cu1 C9 Ag1 75.02(17) . .
Ag2 C9 Ag1 79.41(15) . .
C10 C9 Ag3 103.8(4) . 7_556
Cu1 C9 Ag3 75.07(16) . 7_556
Ag2 C9 Ag3 80.49(15) . 7_556
Ag1 C9 Ag3 136.9(2) . 7_556
C9 C10 C11 170.1(6) . .
C9 C10 Ag2 69.0(3) . .
C11 C10 Ag2 119.7(4) . .
C16 C11 C12 119.3(5) . .
C16 C11 C10 122.1(5) . .
C12 C11 C10 118.4(5) . .
C13 C12 C11 119.7(5) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C14 C13 C12 120.6(6) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 119.6(5) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C14 C15 C16 120.4(6) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C11 C16 C15 120.2(5) . .
C11 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 Cu1 169.1(5) . 7_556
C18 C17 Ag1 83.9(4) . .
Cu1 C17 Ag1 104.2(2) 7_556 .
C18 C17 Ag3 113.2(4) . .
Cu1 C17 Ag3 75.84(17) 7_556 .
Ag1 C17 Ag3 79.76(16) . .
C18 C17 Ag2 99.7(4) . .
Cu1 C17 Ag2 75.38(16) 7_556 .
Ag1 C17 Ag2 77.87(14) . .
Ag3 C17 Ag2 137.6(2) . .
C17 C18 C19 171.8(6) . .
C17 C18 Ag1 68.3(3) . .
C19 C18 Ag1 119.6(4) . .
C20 C19 C24 118.3(5) . .
C20 C19 C18 120.4(5) . .
C24 C19 C18 121.2(5) . .
C21 C20 C19 120.8(5) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C20 C21 C22 120.0(6) . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C23 C22 C21 120.0(6) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.4(6) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C23 C24 C19 120.4(6) . .
C23 C24 H24 119.8 . .
C19 C24 H24 119.8 . .
C30 C25 C26 118.6(5) . .
C30 C25 P2 118.7(4) . .
C26 C25 P2 122.7(4) . .
C27 C26 C25 120.0(6) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 C26 121.2(6) . .
C28 C27 H27 119.4 . .
C26 C27 H27 119.4 . .
C27 C28 C29 119.2(6) . .
C27 C28 H28 120.4 . .
C29 C28 H28 120.4 . .
C28 C29 C30 120.3(6) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C29 C30 C25 120.7(6) . .
C29 C30 H30 119.6 . .
C25 C30 H30 119.6 . .
C32 C31 C36 119.7(5) . .
C32 C31 P2 118.2(4) . .
C36 C31 P2 121.7(5) . .
C31 C32 C33 120.5(6) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C34 C33 C32 120.2(6) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 119.7(6) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C34 C35 C36 120.5(6) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C35 C36 C31 119.4(6) . .
C35 C36 H36 120.3 . .
C31 C36 H36 120.3 . .
C38 C37 C42 118.6(5) . .
C38 C37 P3 123.2(4) . .
C42 C37 P3 118.2(4) . .
C39 C38 C37 120.6(6) . .
C39 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
C40 C39 C38 120.2(6) . .
C40 C39 H39 119.9 . .
C38 C39 H39 119.9 . .
C41 C40 C39 119.5(6) . .
C41 C40 H40 120.2 . .
C39 C40 H40 120.2 . .
C42 C41 C40 120.6(6) . .
C42 C41 H41 119.7 . .
C40 C41 H41 119.7 . .
C41 C42 C37 120.4(6) . .
C41 C42 H42 119.8 . .
C37 C42 H42 119.8 . .
C48 C43 C44 119.7(5) . .
C48 C43 P3 117.3(4) . .
C44 C43 P3 122.9(4) . .
C45 C44 C43 119.4(6) . .
C45 C44 H44 120.3 . .
C43 C44 H44 120.3 . .
C46 C45 C44 120.7(6) . .
C46 C45 H45 119.6 . .
C44 C45 H45 119.6 . .
C45 C46 C47 120.2(6) . .
C45 C46 H46 119.9 . .
C47 C46 H46 119.9 . .
C46 C47 C48 119.8(6) . .
C46 C47 H47 120.1 . .
C48 C47 H47 120.1 . .
C47 C48 C43 120.2(6) . .
C47 C48 H48 119.9 . .
C43 C48 H48 119.9 . .
C54 C49 C50 119.1(5) . .
C54 C49 P3 122.2(4) . .
C50 C49 P3 118.8(4) . .
C51 C50 C49 119.7(5) . .
C51 C50 H50 120.1 . .
C49 C50 H50 120.1 . .
C52 C51 C50 121.4(5) . .
C52 C51 H51 119.3 . .
C50 C51 H51 119.3 . .
C51 C52 C53 118.8(5) . .
C51 C52 P5 119.9(4) . .
C53 C52 P5 121.3(4) . .
C54 C53 C52 120.0(5) . .
C54 C53 H53 120.0 . .
C52 C53 H53 120.0 . .
C53 C54 C49 120.9(5) . .
C53 C54 H54 119.5 . .
C49 C54 H54 119.5 . .
C60 C55 C56 118.7(5) . .
C60 C55 P5 122.9(4) . .
C56 C55 P5 118.2(4) . .
C57 C56 C55 120.6(6) . .
C57 C56 H56 119.7 . .
C55 C56 H56 119.7 . .
C58 C57 C56 119.4(6) . .
C58 C57 H57 120.3 . .
C56 C57 H57 120.3 . .
C59 C58 C57 120.7(6) . .
C59 C58 H58 119.7 . .
C57 C58 H58 119.7 . .
C58 C59 C60 120.0(6) . .
C58 C59 H59 120.0 . .
C60 C59 H59 120.0 . .
C55 C60 C59 120.6(6) . .
C55 C60 H60 119.7 . .
C59 C60 H60 119.7 . .
C66 C61 C62 118.7(5) . .
C66 C61 P5 118.8(4) . .
C62 C61 P5 122.0(4) . .
C63 C62 C61 120.3(6) . .
C63 C62 H62 119.9 . .
C61 C62 H62 119.9 . .
C64 C63 C62 120.3(6) . .
C64 C63 H63 119.9 . .
C62 C63 H63 119.9 . .
C65 C64 C63 119.7(6) . .
C65 C64 H64 120.2 . .
C63 C64 H64 120.2 . .
C64 C65 C66 120.4(6) . .
C64 C65 H65 119.8 . .
C66 C65 H65 119.8 . .
C65 C66 C61 120.6(6) . .
C65 C66 H66 119.7 . .
C61 C66 H66 119.7 . .
N1 C67 C68 178.6(9) . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C70 C69 C74 119.1(5) . .
C70 C69 P4 123.9(5) . .
C74 C69 P4 116.9(4) . .
C69 C70 C71 120.0(6) . .
C69 C70 H70 120.0 . .
C71 C70 H70 120.0 . .
C72 C71 C70 120.3(6) . .
C72 C71 H71 119.8 . .
C70 C71 H71 119.8 . .
C71 C72 C73 120.7(6) . .
C71 C72 H72 119.7 . .
C73 C72 H72 119.7 . .
C72 C73 C74 118.8(7) . .
C72 C73 H73 120.6 . .
C74 C73 H73 120.6 . .
C69 C74 C73 121.0(6) . .
C69 C74 H74 119.5 . .
C73 C74 H74 119.5 . .
C80 C75 C76 118.9(6) . .
C80 C75 P4 120.3(5) . .
C76 C75 P4 120.3(4) . .
C77 C76 C75 120.3(6) . .
C77 C76 H76 119.9 . .
C75 C76 H76 119.9 . .
C76 C77 C78 120.7(6) . .
C76 C77 H77 119.7 . .
C78 C77 H77 119.7 . .
C77 C78 C79 119.3(6) . .
C77 C78 H78 120.3 . .
C79 C78 H78 120.3 . .
C80 C79 C78 120.2(6) . .
C80 C79 H79 119.9 . .
C78 C79 H79 119.9 . .
C75 C80 C79 120.6(6) . .
C75 C80 H80 119.7 . .
C79 C80 H80 119.7 . .
C82 C81 C86 118.9(5) . .
C82 C81 P4 120.5(4) . .
C86 C81 P4 120.6(4) . .
C81 C82 C83 120.9(5) . .
C81 C82 H82 119.6 . .
C83 C82 H82 119.6 . .
C82 C83 C84 120.0(5) . .
C82 C83 H83 120.0 . .
C84 C83 H83 120.0 . .
C85 C84 C83 119.4(5) . .
C85 C84 P2 121.6(4) . .
C83 C84 P2 118.9(4) . .
C84 C85 C86 120.8(5) . .
C84 C85 H85 119.6 . .
C86 C85 H85 119.6 . .
C85 C86 C81 120.0(5) . .
C85 C86 H86 120.0 . .
C81 C86 H86 120.0 . .
C88 C87 C92 119.0(6) . .
C88 C87 P1 119.1(5) . .
C92 C87 P1 121.9(4) . .
C89 C88 C87 120.5(6) . .
C89 C88 H88 119.8 . .
C87 C88 H88 119.8 . .
C90 C89 C88 120.2(6) . .
C90 C89 H89 119.9 . .
C88 C89 H89 119.9 . .
C91 C90 C89 120.2(6) . .
C91 C90 H90 119.9 . .
C89 C90 H90 119.9 . .
C90 C91 C92 119.6(6) . .
C90 C91 H91 120.2 . .
C92 C91 H91 120.2 . .
C87 C92 C91 120.5(6) . .
C87 C92 H92 119.7 . .
C91 C92 H92 119.7 . .
C98 C93 C94 119.3(5) . .
C98 C93 P1 123.7(4) . .
C94 C93 P1 117.0(4) . .
C95 C94 C93 120.4(5) . .
C95 C94 H94 119.8 . .
C93 C94 H94 119.8 . .
C94 C95 C96 119.6(5) . .
C94 C95 H95 120.2 . .
C96 C95 H95 120.2 . .
C97 C96 C95 120.1(5) . .
C97 C96 H96 120.0 . .
C95 C96 H96 120.0 . .
C96 C97 C98 121.0(5) . .
C96 C97 H97 119.5 . .
C98 C97 H97 119.5 . .
C97 C98 C93 119.6(5) . .
C97 C98 H98 120.2 . .
C93 C98 H98 120.2 . .
C104 C99 C100 119.2(5) . .
C104 C99 P1 122.6(4) . .
C100 C99 P1 118.2(4) . .
C101 C100 C99 120.4(5) . .
C101 C100 H100 119.8 . .
C99 C100 H100 119.8 . .
C100 C101 C102 120.7(5) . .
C100 C101 H101 119.6 . .
C102 C101 H101 119.6 . .
C103 C102 C101 118.2(5) . .
C103 C102 P6 122.9(4) . .
C101 C102 P6 118.9(4) . .
C104 C103 C102 121.0(5) . .
C104 C103 H103 119.5 . .
C102 C103 H103 119.5 . .
C103 C104 C99 120.4(5) . .
C103 C104 H104 119.8 . .
C99 C104 H104 119.8 . .
C106 C105 C110 118.9(5) . .
C106 C105 P6 123.8(4) . .
C110 C105 P6 116.9(4) . .
C105 C106 C107 120.3(5) . .
C105 C106 H106 119.8 . .
C107 C106 H106 119.8 . .
C108 C107 C106 120.5(6) . .
C108 C107 H107 119.8 . .
C106 C107 H107 119.8 . .
C107 C108 C109 119.9(6) . .
C107 C108 H108 120.0 . .
C109 C108 H108 120.0 . .
C110 C109 C108 119.9(5) . .
C110 C109 H109 120.0 . .
C108 C109 H109 120.0 . .
C109 C110 C105 120.5(5) . .
C109 C110 H110 119.8 . .
C105 C110 H110 119.8 . .
C112 C111 C116 119.6(5) . .
C112 C111 P6 117.9(4) . .
C116 C111 P6 122.5(4) . .
C113 C112 C111 119.7(6) . .
C113 C112 H112 120.1 . .
C111 C112 H112 120.1 . .
C114 C113 C112 120.6(7) . .
C114 C113 H113 119.7 . .
C112 C113 H113 119.7 . .
C115 C114 C113 119.4(6) . .
C115 C114 H114 120.3 . .
C113 C114 H114 120.3 . .
C116 C115 C114 120.5(6) . .
C116 C115 H115 119.7 . .
C114 C115 H115 119.7 . .
C115 C116 C111 120.0(6) . .
C115 C116 H116 120.0 . .
C111 C116 H116 120.0 . .
F4 P7 F5 89.9(3) . .
F4 P7 F6 91.5(3) . .
F5 P7 F6 88.2(4) . .
F4 P7 F1 179.3(3) . .
F5 P7 F1 90.6(3) . .
F6 P7 F1 88.9(3) . .
F4 P7 F2 90.5(3) . .
F5 P7 F2 178.8(4) . .
F6 P7 F2 90.8(3) . .
F1 P7 F2 89.0(3) . .
F4 P7 F3 90.6(3) . .
F5 P7 F3 91.6(3) . .
F6 P7 F3 177.9(3) . .
F1 P7 F3 89.0(3) . .
F2 P7 F3 89.5(3) . .
F7 P8 F7 92.0(6) 2_655 .
F7 P8 F8 178.8(4) 2_655 .
F7 P8 F8 88.8(3) . .
F7 P8 F8 88.8(3) 2_655 2_655
F7 P8 F8 178.8(4) . 2_655
F8 P8 F8 90.5(6) . 2_655
F7 P8 F9 87.9(3) 2_655 .
F7 P8 F9 93.3(4) . .
F8 P8 F9 91.1(4) . .
F8 P8 F9 87.7(4) 2_655 .
F7 P8 F9 93.3(4) 2_655 2_655
F7 P8 F9 87.9(3) . 2_655
F8 P8 F9 87.7(4) . 2_655
F8 P8 F9 91.1(4) 2_655 2_655
F9 P8 F9 178.2(7) . 2_655
F10 P9 F13 178.1(9) . .
F10 P9 F12 92.2(7) . .
F13 P9 F12 89.6(6) . .
F10 P9 F15 89.2(6) . .
F13 P9 F15 89.0(7) . .
F12 P9 F15 177.7(8) . .
F10 P9 F14 90.1(7) . .
F13 P9 F14 90.2(6) . .
F12 P9 F14 88.7(7) . .
F15 P9 F14 89.4(6) . .
F10 P9 F11 89.1(6) . .
F13 P9 F11 90.5(7) . .
F12 P9 F11 90.4(6) . .
F15 P9 F11 91.5(7) . .
F14 P9 F11 178.8(8) . .
N2 C117 C118 174.5(15) . .
C117 C118 H11A 109.5 . .
C117 C118 H11B 109.5 . .
H11A C118 H11B 109.5 . .
C117 C118 H11C 109.5 . .
H11A C118 H11C 109.5 . .
H11B C118 H11C 109.5 . .
N3 C119 C120 179.1(15) . .
C119 C120 H12A 109.5 . .
C119 C120 H12B 109.5 . .
H12A C120 H12B 109.5 . .
C119 C120 H12C 109.5 . .
H12A C120 H12C 109.5 . .
H12B C120 H12C 109.5 . .
N4 C121 C122 179.0(14) . .
C121 C122 H12D 109.5 . .
C121 C122 H12E 109.5 . .
H12D C122 H12E 109.5 . .
C121 C122 H12F 109.5 . .
H12D C122 H12F 109.5 . .
H12E C122 H12F 109.5 . .
N5 C123 C124 167(2) . .
C123 C124 H12G 109.5 . .
C123 C124 H12H 109.5 . .
H12G C124 H12H 109.5 . .
C123 C124 H12I 109.5 . .
H12G C124 H12I 109.5 . .
H12H C124 H12I 109.5 . .
C126 C125 H12J 109.5 . .
C126 C125 H12K 109.5 . .
H12J C125 H12K 109.5 . .
C126 C125 H12L 109.5 . .
H12J C125 H12L 109.5 . .
H12K C125 H12L 109.5 . .
N7 C127 C128 165.398(5) . .
N8 C129 C130 174.9 . .
C129 C130 H13A 109.5 . .
C129 C130 H13B 109.5 . .
H13A C130 H13B 109.5 . .
C129 C130 H13C 109.5 . .
H13A C130 H13C 109.5 . .
H13B C130 H13C 109.5 . .
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 P1 2.4184(14) . yes
Ag1 C17 2.426(5) . ?
Ag1 C9 2.514(5) . ?
Ag1 C1 2.520(5) . ?
Ag1 C18 2.596(5) . ?
Ag1 Cu1 2.7681(9) . yes
Ag1 Ag3 3.1604(9) . yes
Ag1 Ag2 3.1626(8) . yes
Ag2 P2 2.4351(15) . yes
Ag2 C9 2.436(5) . ?
Ag2 C1 2.527(5) 7_556 ?
Ag2 C10 2.588(5) . ?
Ag2 C17 2.602(5) . ?
Ag2 Cu1 2.8401(10) 7_556 yes
Ag2 Ag3 3.2087(7) 7_556 yes
Ag3 P3 2.4240(15) . yes
Ag3 C1 2.431(5) . ?
Ag3 C17 2.503(5) . ?
Ag3 C9 2.530(5) 7_556 ?
Ag3 C2 2.549(5) . ?
Ag3 Cu1 2.7810(9) 7_556 yes
Ag3 Ag2 3.2087(7) 7_556 yes
Ag4 N1 2.425(5) . yes
Ag4 P4 2.4653(16) . yes
Ag4 P6 2.4670(15) 7_556 yes
Ag4 P5 2.4763(15) . yes
Cu1 C17 1.971(5) 7_556 ?
Cu1 C1 1.972(6) . ?
Cu1 C9 1.978(5) . ?
Cu1 Ag3 2.7810(9) 7_556 yes
Cu1 Ag2 2.8402(10) 7_556 yes
Cu1 Cu1 2.8644(14) 7_556 yes
P1 C93 1.811(6) . ?
P1 C87 1.816(6) . ?
P1 C99 1.829(5) . ?
P2 C25 1.814(6) . ?
P2 C31 1.825(6) . ?
P2 C84 1.832(5) . ?
P3 C43 1.815(6) . ?
P3 C37 1.821(6) . ?
P3 C49 1.823(5) . ?
P4 C69 1.815(6) . ?
P4 C75 1.817(6) . ?
P4 C81 1.822(5) . ?
P5 C52 1.815(5) . ?
P5 C55 1.822(5) . ?
P5 C61 1.826(6) . ?
P6 C111 1.818(6) . ?
P6 C105 1.818(6) . ?
P6 C102 1.828(5) . ?
P6 Ag4 2.4670(15) 7_556 yes
N1 C67 1.133(8) . ?
C1 C2 1.228(8) . ?
C1 Ag2 2.527(5) 7_556 yes
C2 C3 1.437(8) . ?
C3 C4 1.388(8) . ?
C3 C8 1.395(8) . ?
C4 C5 1.380(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.367(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.379(9) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.226(8) . ?
C9 Ag3 2.530(5) 7_556 yes
C10 C11 1.442(7) . ?
C11 C16 1.381(8) . ?
C11 C12 1.406(8) . ?
C12 C13 1.385(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.386(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(8) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.221(8) . ?
C17 Cu1 1.971(5) 7_556 ?
C18 C19 1.439(8) . ?
C19 C20 1.392(8) . ?
C19 C24 1.396(8) . ?
C20 C21 1.377(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.371(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(9) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.391(8) . ?
C25 C26 1.393(8) . ?
C26 C27 1.379(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.382(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.382(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.362(8) . ?
C31 C36 1.404(8) . ?
C32 C33 1.390(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.376(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(9) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.385(8) . ?
C37 C42 1.389(8) . ?
C38 C39 1.380(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.376(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.374(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.374(9) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.390(8) . ?
C43 C44 1.390(8) . ?
C44 C45 1.390(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.372(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.382(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(8) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.391(7) . ?
C49 C50 1.393(7) . ?
C50 C51 1.384(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.383(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.397(7) . ?
C53 C54 1.381(7) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C60 1.388(8) . ?
C55 C56 1.396(8) . ?
C56 C57 1.391(8) . ?
C56 H56 0.9500 . ?
C57 C58 1.379(10) . ?
C57 H57 0.9500 . ?
C58 C59 1.374(9) . ?
C58 H58 0.9500 . ?
C59 C60 1.388(8) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C66 1.391(8) . ?
C61 C62 1.396(8) . ?
C62 C63 1.390(9) . ?
C62 H62 0.9500 . ?
C63 C64 1.382(10) . ?
C63 H63 0.9500 . ?
C64 C65 1.382(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.384(9) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C68 1.457(9) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.387(8) . ?
C69 C74 1.388(9) . ?
C70 C71 1.393(9) . ?
C70 H70 0.9500 . ?
C71 C72 1.368(10) . ?
C71 H71 0.9500 . ?
C72 C73 1.388(10) . ?
C72 H72 0.9500 . ?
C73 C74 1.393(9) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C80 1.381(8) . ?
C75 C76 1.395(8) . ?
C76 C77 1.374(9) . ?
C76 H76 0.9500 . ?
C77 C78 1.380(10) . ?
C77 H77 0.9500 . ?
C78 C79 1.384(10) . ?
C78 H78 0.9500 . ?
C79 C80 1.382(10) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.381(8) . ?
C81 C86 1.398(8) . ?
C82 C83 1.384(8) . ?
C82 H82 0.9500 . ?
C83 C84 1.390(8) . ?
C83 H83 0.9500 . ?
C84 C85 1.376(8) . ?
C85 C86 1.385(8) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C88 1.381(8) . ?
C87 C92 1.386(8) . ?
C88 C89 1.379(9) . ?
C88 H88 0.9500 . ?
C89 C90 1.376(10) . ?
C89 H89 0.9500 . ?
C90 C91 1.372(10) . ?
C90 H90 0.9500 . ?
C91 C92 1.389(9) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 C98 1.388(8) . ?
C93 C94 1.404(8) . ?
C94 C95 1.382(8) . ?
C94 H94 0.9500 . ?
C95 C96 1.389(8) . ?
C95 H95 0.9500 . ?
C96 C97 1.373(9) . ?
C96 H96 0.9500 . ?
C97 C98 1.385(8) . ?
C97 H97 0.9500 . ?
C98 H98 0.9500 . ?
C99 C104 1.384(8) . ?
C99 C100 1.391(7) . ?
C100 C101 1.377(7) . ?
C100 H100 0.9500 . ?
C101 C102 1.400(7) . ?
C101 H101 0.9500 . ?
C102 C103 1.392(8) . ?
C103 C104 1.380(8) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 C106 1.378(8) . ?
C105 C110 1.397(7) . ?
C106 C107 1.396(8) . ?
C106 H106 0.9500 . ?
C107 C108 1.364(9) . ?
C107 H107 0.9500 . ?
C108 C109 1.387(9) . ?
C108 H108 0.9500 . ?
C109 C110 1.384(8) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C111 C112 1.391(8) . ?
C111 C116 1.394(8) . ?
C112 C113 1.390(9) . ?
C112 H112 0.9500 . ?
C113 C114 1.385(10) . ?
C113 H113 0.9500 . ?
C114 C115 1.385(10) . ?
C114 H114 0.9500 . ?
C115 C116 1.383(9) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
P7 F4 1.558(5) . ?
P7 F5 1.571(5) . ?
P7 F6 1.583(6) . ?
P7 F1 1.586(5) . ?
P7 F2 1.603(5) . ?
P7 F3 1.615(5) . ?
P8 F7 1.514(6) 2_655 ?
P8 F7 1.514(6) . ?
P8 F8 1.528(9) . ?
P8 F8 1.528(9) 2_655 ?
P8 F9 1.532(8) . ?
P8 F9 1.532(8) 2_655 ?
N2 C117 1.131(11) . ?
P9 F10 1.552(15) . ?
P9 F13 1.578(15) . ?
P9 F12 1.626(14) . ?
P9 F15 1.632(14) . ?
P9 F14 1.635(14) . ?
P9 F11 1.647(14) . ?
C117 C118 1.390(15) . ?
C118 H11A 0.9800 . ?
C118 H11B 0.9800 . ?
C118 H11C 0.9800 . ?
N3 C119 1.122(14) . ?
C119 C120 1.388(17) . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
N4 C121 1.120(11) . ?
C121 C122 1.461(12) . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
N5 C123 1.29(2) . ?
C123 C124 1.515(10) . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C125 C126 1.451(15) . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
N7 C127 1.1896(3) . ?
C127 C128 1.4708(4) . ?
C128 H12M 0.9800 . ?
C128 H12N 0.9800 . ?
C128 H12O 0.9800 . ?
N8 C129 1.10392(17) . ?
C129 C130 1.5000 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
