#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:19:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178945 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/74/4117489.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_4117489
loop_
_publ_author_name
'Ann Christin Jahnke'
'Kevin Pröpper'
'Catherine Bronner'
'Jörg Teichgräber'
'Sebastian Dechert'
'Michael John'
'Oliver S. Wenger'
'Franc Meyer'
_publ_contact_author_address
; Institut für Anorganische Chemie
  Georg August Universität Göttingen
  Tammannstraße 4
  D-37077 Göttingen
  Germany
;
_publ_contact_author_email       franc.meyer@chemie.uni-goettingen.de
_publ_contact_author_fax         49(551)393063
_publ_contact_author_name        'Prof. Dr. Franc Meyer'
_publ_contact_author_phone       49(551)393012
_publ_section_title
;
 A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a
 Second Ring of Coinage Metals Supported by Inter-ring Metallophilic
 Interactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2938
_journal_page_last               2941
_journal_paper_doi               10.1021/ja211549e
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C69 H57 Ag3 N6 S6'
_chemical_formula_sum            'C69 H57 Ag3 N6 S6'
_chemical_formula_weight         1486.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-12-07 # Formatted by publCIF
;
_cell_angle_alpha                112.6740(10)
_cell_angle_beta                 93.4020(10)
_cell_angle_gamma                108.5130(10)
_cell_formula_units_Z            2
_cell_length_a                   14.0463(4)
_cell_length_b                   15.4461(4)
_cell_length_c                   16.3208(5)
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      71.49
_cell_measurement_theta_min      3.000
_cell_volume                     3030.65(15)
_computing_cell_refinement       'SAINT (Bruker 2009)'
_computing_data_collection       'APEX2 (Bruker 2009)'
_computing_data_reduction        'SAINT (Bruker 2009)'
_computing_molecular_graphics    'SHELXTL (Bruker 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker SMART 6000'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'INCOATEC multilayer optics'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            67180
_diffrn_reflns_theta_full        72.21
_diffrn_reflns_theta_max         72.21
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.011
_exptl_absorpt_correction_T_max  0.4696
_exptl_absorpt_correction_T_min  0.2402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_description       block
_exptl_crystal_F_000             1500
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     825
_refine_ls_number_reflns         11527
_refine_ls_number_restraints     170
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0457P)²+0.0943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                9764
_reflns_number_total             11527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja211549e_si_002_5.cif
_cod_data_source_block           1c
_cod_database_code               4117489
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.121894(15) 0.474357(14) 0.431275(13) 0.02498(6) Uani 1 1 d . . .
Ag2 Ag 0.220104(15) 0.484443(14) 0.637416(13) 0.02407(6) Uani 1 1 d . . .
S6 S 0.15510(5) 0.54642(6) 0.25995(5) 0.02827(14) Uani 1 1 d . . .
S3 S 0.37812(6) 0.51709(5) 0.81233(5) 0.03048(15) Uani 1 1 d . . .
Ag3 Ag 0.119018(15) 0.669246(15) 0.644192(13) 0.02529(6) Uani 1 1 d . . .
S5 S 0.12404(6) 0.88078(5) 0.66845(5) 0.03031(15) Uani 1 1 d . . .
S4 S 0.32554(7) 0.92558(6) 0.87571(5) 0.03494(17) Uani 1 1 d D . .
S2 S 0.49137(6) 0.43247(6) 0.63744(5) 0.03467(17) Uani 1 1 d . . .
S1 S 0.10785(7) 0.25524(7) 0.21685(6) 0.03964(18) Uani 1 1 d D . .
N2 N 0.24474(18) 0.39027(17) 0.51685(16) 0.0240(5) Uani 1 1 d . . .
N6 N 0.05175(18) 0.57749(17) 0.43676(16) 0.0240(5) Uani 1 1 d . . .
N5 N 0.04892(17) 0.64904(17) 0.51727(16) 0.0237(5) Uani 1 1 d . . .
N1 N 0.21230(18) 0.39084(17) 0.43686(16) 0.0256(5) Uani 1 1 d . A .
N3 N 0.20935(18) 0.59152(17) 0.75892(16) 0.0242(5) Uani 1 1 d . . .
N4 N 0.19133(18) 0.67492(17) 0.76319(16) 0.0250(5) Uani 1 1 d . B .
C54 C 0.2374(2) 0.6039(2) 0.84331(19) 0.0237(6) Uani 1 1 d . . .
C31 C 0.0227(2) 0.7181(2) 0.50038(19) 0.0231(5) Uani 1 1 d . . .
C3 C 0.3897(2) 0.1727(2) 0.3836(2) 0.0278(6) Uani 1 1 d . . .
H3A H 0.3425 0.1470 0.4155 0.033 Uiso 1 1 calc R . .
C1 C 0.3242(2) 0.3121(2) 0.41434(19) 0.0244(6) Uani 1 1 d . A .
C2 C 0.3915(2) 0.2588(2) 0.37261(19) 0.0249(6) Uani 1 1 d . . .
C7 C 0.4608(2) 0.2931(2) 0.3240(2) 0.0291(6) Uani 1 1 d . . .
H7A H 0.4637 0.3515 0.3158 0.035 Uiso 1 1 calc R . .
C47 C 0.2391(2) 0.6967(2) 0.9064(2) 0.0250(6) Uani 1 1 d . B .
C16 C 0.0287(2) 0.6033(2) 0.37004(19) 0.0241(5) Uani 1 1 d . . .
C62 C 0.3116(2) 0.3428(2) 0.50425(19) 0.0234(5) Uani 1 1 d . . .
C48 C 0.2661(2) 0.7402(2) 1.0060(2) 0.0280(6) Uani 1 1 d . . .
C32 C 0.0113(2) 0.8044(2) 0.5767(2) 0.0277(6) Uani 1 1 d . . .
H32A H -0.0475 0.7775 0.6020 0.033 Uiso 1 1 calc R . .
H32B H -0.0053 0.8485 0.5521 0.033 Uiso 1 1 calc R . .
C33 C 0.2155(2) 0.9419(2) 0.6186(2) 0.0276(6) Uani 1 1 d . . .
C38 C 0.3161(3) 0.9949(2) 0.6695(2) 0.0328(7) Uani 1 1 d . . .
H38A H 0.3328 0.9954 0.7270 0.039 Uiso 1 1 calc R . .
C17 C 0.0255(2) 0.5384(2) 0.27361(19) 0.0258(6) Uani 1 1 d . . .
H17A H -0.0036 0.5614 0.2328 0.031 Uiso 1 1 calc R . .
H17B H -0.0188 0.4675 0.2574 0.031 Uiso 1 1 calc R . .
C8 C 0.2599(2) 0.3448(2) 0.37492(19) 0.0248(6) Uani 1 1 d . . .
C55 C 0.2650(2) 0.5246(2) 0.8593(2) 0.0294(6) Uani 1 1 d . . .
H55A H 0.2073 0.4585 0.8292 0.035 Uiso 1 1 calc R . .
H55B H 0.2798 0.5428 0.9252 0.035 Uiso 1 1 calc R . .
C53 C 0.2292(2) 0.6838(2) 1.0541(2) 0.0292(6) Uani 1 1 d . . .
H53A H 0.1849 0.6151 1.0221 0.035 Uiso 1 1 calc R . .
C63 C 0.3623(2) 0.3353(2) 0.5835(2) 0.0262(6) Uani 1 1 d . . .
H63A H 0.3672 0.2679 0.5626 0.031 Uiso 1 1 calc R . .
H63B H 0.3187 0.3411 0.6293 0.031 Uiso 1 1 calc R . .
C9 C 0.2385(2) 0.3360(2) 0.2801(2) 0.0315(6) Uani 1 1 d . A .
H9A H 0.2866 0.3091 0.2462 0.038 Uiso 1 1 calc R . .
H9B H 0.2525 0.4043 0.2833 0.038 Uiso 1 1 calc R . .
C40 C 0.2014(2) 0.8393(2) 0.8778(2) 0.0303(6) Uani 1 1 d . B .
H40A H 0.1865 0.8638 0.9394 0.036 Uiso 1 1 calc R . .
H40B H 0.1456 0.8350 0.8347 0.036 Uiso 1 1 calc R . .
C18 C 0.1387(2) 0.4695(2) 0.1427(2) 0.0286(6) Uani 1 1 d . . .
C52 C 0.2562(3) 0.7268(3) 1.1487(2) 0.0350(7) Uani 1 1 d . . .
H52A H 0.2300 0.6871 1.1804 0.042 Uiso 1 1 calc R . .
C34 C 0.1930(3) 0.9419(2) 0.5346(2) 0.0359(7) Uani 1 1 d . . .
H34A H 0.1248 0.9073 0.4998 0.043 Uiso 1 1 calc R . .
C69 C 0.5774(2) 0.2925(2) 0.6270(2) 0.0355(7) Uani 1 1 d . . .
H69A H 0.5422 0.2836 0.6729 0.043 Uiso 1 1 calc R . .
C49 C 0.3319(3) 0.8406(3) 1.0557(2) 0.0411(8) Uani 1 1 d . . .
H49A H 0.3587 0.8808 1.0245 0.049 Uiso 1 1 calc R . .
C5 C 0.5239(3) 0.1596(3) 0.2998(2) 0.0353(7) Uani 1 1 d . . .
H5A H 0.5689 0.1262 0.2755 0.042 Uiso 1 1 calc R . .
C30 C -0.0114(2) 0.7522(2) 0.3613(2) 0.0309(7) Uani 1 1 d . . .
C4 C 0.4559(3) 0.1247(2) 0.3483(2) 0.0324(7) Uani 1 1 d . . .
H4A H 0.4547 0.0673 0.3575 0.039 Uiso 1 1 calc R . .
C23 C 0.0455(2) 0.4192(2) 0.0808(2) 0.0335(7) Uani 1 1 d . . .
H23A H -0.0158 0.4240 0.1002 0.040 Uiso 1 1 calc R . .
C22 C 0.0427(3) 0.3615(3) -0.0104(2) 0.0378(7) Uani 1 1 d . . .
H22A H -0.0211 0.3267 -0.0528 0.045 Uiso 1 1 calc R . .
C57 C 0.4935(3) 0.4389(3) 0.8814(2) 0.0406(8) Uani 1 1 d . . .
H57A H 0.5455 0.5043 0.9038 0.049 Uiso 1 1 calc R . .
C36 C 0.3689(3) 1.0450(2) 0.5517(2) 0.0390(7) Uani 1 1 d . . .
H36A H 0.4211 1.0799 0.5288 0.047 Uiso 1 1 calc R . .
C68 C 0.6375(3) 0.2367(3) 0.5912(3) 0.0480(10) Uani 1 1 d . . .
H68A H 0.6422 0.1879 0.6114 0.058 Uiso 1 1 calc R . .
C19 C 0.2279(2) 0.4624(3) 0.1132(2) 0.0359(7) Uani 1 1 d . . .
H19A H 0.2917 0.4966 0.1553 0.043 Uiso 1 1 calc R . .
C20 C 0.2239(3) 0.4058(3) 0.0226(2) 0.0404(8) Uani 1 1 d . . .
H20A H 0.2852 0.4017 0.0027 0.048 Uiso 1 1 calc R . .
C35 C 0.2701(3) 0.9924(2) 0.5013(2) 0.0387(7) Uani 1 1 d . . .
H35A H 0.2544 0.9905 0.4431 0.046 Uiso 1 1 calc R . .
C37 C 0.3912(3) 1.0464(3) 0.6362(2) 0.0378(7) Uani 1 1 d . . .
H37A H 0.4590 1.0832 0.6717 0.045 Uiso 1 1 calc R . .
C25 C 0.0509(3) 0.7746(3) 0.3031(2) 0.0399(8) Uani 1 1 d . . .
H25A H 0.1013 0.7454 0.2884 0.048 Uiso 1 1 calc R . .
C59 C 0.4372(4) 0.2682(3) 0.8644(3) 0.0516(10) Uani 1 1 d . . .
H59A H 0.4506 0.2160 0.8742 0.062 Uiso 1 1 calc R . .
C58 C 0.5134(3) 0.3619(3) 0.8945(3) 0.0502(10) Uani 1 1 d . . .
H58A H 0.5797 0.3742 0.9244 0.060 Uiso 1 1 calc R . .
C61 C 0.3219(3) 0.3251(2) 0.8044(2) 0.0366(7) Uani 1 1 d . . .
H61A H 0.2564 0.3120 0.7723 0.044 Uiso 1 1 calc R . .
C29 C -0.0866(3) 0.7941(2) 0.3808(2) 0.0390(8) Uani 1 1 d . . .
H29A H -0.1313 0.7782 0.4186 0.047 Uiso 1 1 calc R . .
C60 C 0.3411(3) 0.2496(3) 0.8198(3) 0.0461(9) Uani 1 1 d . . .
H60A H 0.2882 0.1850 0.7998 0.055 Uiso 1 1 calc R . .
C50 C 0.3588(3) 0.8826(3) 1.1494(2) 0.0478(9) Uani 1 1 d . . .
H50A H 0.4040 0.9511 1.1818 0.057 Uiso 1 1 calc R . .
C51 C 0.3204(3) 0.8258(3) 1.1962(2) 0.0413(8) Uani 1 1 d . . .
H51A H 0.3383 0.8550 1.2606 0.050 Uiso 1 1 calc R . .
C67 C 0.6907(3) 0.2520(3) 0.5259(3) 0.0517(11) Uani 1 1 d . . .
H67A H 0.7328 0.2147 0.5025 0.062 Uiso 1 1 calc R . .
C66 C 0.6825(3) 0.3209(3) 0.4951(2) 0.0487(9) Uani 1 1 d . . .
H66A H 0.7188 0.3305 0.4501 0.058 Uiso 1 1 calc R . .
C65 C 0.6225(2) 0.3762(3) 0.5286(2) 0.0376(7) Uani 1 1 d . . .
H65A H 0.6171 0.4238 0.5070 0.045 Uiso 1 1 calc R . .
C28 C -0.0953(4) 0.8602(3) 0.3436(3) 0.0578(13) Uani 1 1 d . . .
H28A H -0.1456 0.8898 0.3576 0.069 Uiso 1 1 calc R . .
C26 C 0.0394(4) 0.8393(3) 0.2667(3) 0.0583(12) Uani 1 1 d . . .
H26A H 0.0819 0.8537 0.2268 0.070 Uiso 1 1 calc R . .
C27 C -0.0329(4) 0.8828(3) 0.2877(3) 0.0675(15) Uani 1 1 d . . .
H27A H -0.0393 0.9281 0.2635 0.081 Uiso 1 1 calc R . .
C64 C 0.5696(2) 0.3615(2) 0.5947(2) 0.0300(6) Uani 1 1 d . . .
C39 C 0.2092(2) 0.7387(2) 0.85113(19) 0.0258(6) Uani 1 1 d . . .
C21 C 0.1305(3) 0.3548(3) -0.0392(2) 0.0389(7) Uani 1 1 d . . .
H21A H 0.1278 0.3154 -0.1013 0.047 Uiso 1 1 calc R . .
C24 C 0.0088(2) 0.6925(2) 0.4072(2) 0.0247(6) Uani 1 1 d . . .
C56 C 0.3983(2) 0.4199(2) 0.8359(2) 0.0301(6) Uani 1 1 d . . .
C6 C 0.5254(3) 0.2436(3) 0.2874(2) 0.0350(7) Uani 1 1 d . . .
H6A H 0.5710 0.2675 0.2534 0.042 Uiso 1 1 calc R . .
C10_1 C 0.1237(4) 0.1320(3) 0.1823(4) 0.0291(19) Uani 0.478(5) 1 d PGD A 1
C11_1 C 0.2150(3) 0.1166(3) 0.1695(3) 0.0321(15) Uani 0.478(5) 1 d PG A 1
H11A_1 H 0.2773 0.1726 0.1852 0.039 Uiso 0.478(5) 1 calc PR A 1
C12_1 C 0.2152(3) 0.0191(3) 0.1339(4) 0.0370(17) Uani 0.478(5) 1 d PG A 1
H12A_1 H 0.2776 0.0086 0.1251 0.044 Uiso 0.478(5) 1 calc PR A 1
C13_1 C 0.1241(4) -0.0629(2) 0.1110(4) 0.042(2) Uani 0.478(5) 1 d PG A 1
H13A_1 H 0.1242 -0.1296 0.0866 0.051 Uiso 0.478(5) 1 calc PR A 1
C14_1 C 0.0328(3) -0.0475(3) 0.1238(4) 0.0400(18) Uani 0.478(5) 1 d PG A 1
H14A_1 H -0.0295 -0.1036 0.1081 0.048 Uiso 0.478(5) 1 calc PR A 1
C15_1 C 0.0326(3) 0.0499(4) 0.1594(4) 0.0361(17) Uani 0.478(5) 1 d PG A 1
H15A_1 H -0.0298 0.0605 0.1682 0.043 Uiso 0.478(5) 1 calc PR A 1
C10A_1 C 0.0961(3) 0.1307(2) 0.1728(2) 0.036(2) Uani 0.522(5) 1 d PGD A 2
C11A_1 C 0.1684(3) 0.1012(3) 0.2051(2) 0.0423(18) Uani 0.522(5) 1 d PG A 2
H11B_1 H 0.2220 0.1490 0.2560 0.051 Uiso 0.522(5) 1 calc PR A 2
C12A_1 C 0.1622(4) 0.0019(3) 0.1629(3) 0.0474(19) Uani 0.522(5) 1 d PG A 2
H12B_1 H 0.2116 -0.0183 0.1850 0.057 Uiso 0.522(5) 1 calc PR A 2
C13A_1 C 0.0838(3) -0.0681(2) 0.0884(2) 0.045(2) Uani 0.522(5) 1 d PG A 2
H13B_1 H 0.0795 -0.1360 0.0596 0.053 Uiso 0.522(5) 1 calc PR A 2
C14A_1 C 0.0115(3) -0.0386(3) 0.0561(2) 0.048(2) Uani 0.522(5) 1 d PG A 2
H14B_1 H -0.0421 -0.0863 0.0052 0.058 Uiso 0.522(5) 1 calc PR A 2
C15A_1 C 0.0176(3) 0.0608(3) 0.0983(2) 0.0441(18) Uani 0.522(5) 1 d PG A 2
H15B_1 H -0.0318 0.0810 0.0762 0.053 Uiso 0.522(5) 1 calc PR A 2
C41_2 C 0.3269(7) 1.0497(5) 0.9442(6) 0.032(3) Uani 0.52(2) 1 d PRDU B 1
C44_2 C 0.3463(8) 1.2451(5) 1.0531(7) 0.054(3) Uani 0.52(2) 1 d PRU B 1
H44A_2 H 0.3531 1.3124 1.0904 0.065 Uiso 0.52(2) 1 d PR B 1
C42_2 C 0.2527(6) 1.0798(5) 0.9264(9) 0.031(2) Uani 0.52(2) 1 d PU B 1
H42A_2 H 0.1959 1.0344 0.8776 0.037 Uiso 0.52(2) 1 calc PR B 1
C43_2 C 0.2572(6) 1.1775(5) 0.9789(11) 0.040(2) Uani 0.52(2) 1 d PU B 1
H43A_2 H 0.2042 1.1994 0.9667 0.047 Uiso 0.52(2) 1 calc PR B 1
C45_2 C 0.4184(13) 1.2131(8) 1.0661(10) 0.044(3) Uani 0.52(2) 1 d PU B 1
H45A_2 H 0.4779 1.2593 1.1119 0.053 Uiso 0.52(2) 1 calc PR B 1
C46_2 C 0.4132(10) 1.1141(9) 1.0164(11) 0.034(3) Uani 0.52(2) 1 d PU B 1
H46A_2 H 0.4648 1.0915 1.0303 0.040 Uiso 0.52(2) 1 calc PR B 1
C41A_2 C 0.3311(6) 1.0442(5) 0.9535(6) 0.026(3) Uani 0.48(2) 1 d PGDU B 2
C42A_2 C 0.2482(4) 1.0752(4) 0.9661(11) 0.037(3) Uani 0.48(2) 1 d PGU B 2
H42B_2 H 0.1808 1.0289 0.9342 0.044 Uiso 0.48(2) 1 calc PR B 2
C43A_2 C 0.2639(6) 1.1740(4) 1.0252(13) 0.048(4) Uani 0.48(2) 1 d PGU B 2
H43B_2 H 0.2073 1.1951 1.0337 0.058 Uiso 0.48(2) 1 calc PR B 2
C44A_2 C 0.3625(8) 1.2417(4) 1.0718(8) 0.068(4) Uani 0.48(2) 1 d PGU B 2
H44B_2 H 0.3733 1.3092 1.1122 0.082 Uiso 0.48(2) 1 calc PR B 2
C45A_2 C 0.4454(6) 1.2107(7) 1.0592(10) 0.045(4) Uani 0.48(2) 1 d PGU B 2
H45B_2 H 0.5128 1.2570 1.0911 0.054 Uiso 0.48(2) 1 calc PR B 2
C46A_2 C 0.4297(5) 1.1120(8) 1.0001(10) 0.040(4) Uani 0.48(2) 1 d PGU B 2
H46B_2 H 0.4863 1.0908 0.9916 0.047 Uiso 0.48(2) 1 calc PR B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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_3
N1 Ag1 N6 171.26(9) .
N1 Ag1 Ag3 111.22(7) 2_566
N6 Ag1 Ag3 77.40(7) 2_566
N2 Ag2 N3 173.81(10) .
C18 S6 C17 103.42(14) .
C56 S3 C55 101.46(14) .
N4 Ag3 N5 173.86(9) .
N4 Ag3 Ag1 116.65(7) 2_566
N5 Ag3 Ag1 62.59(6) 2_566
C33 S5 C32 103.64(14) .
C41A_2 S4 C40 103.0(3) .
C41_2 S4 C40 104.3(3) .
C64 S2 C63 101.16(13) .
C10A_1 S1 C9 109.73(15) .
C9 S1 C10_1 97.63(19) .
C62 N2 N1 108.3(2) .
C62 N2 Ag2 128.97(19) .
N1 N2 Ag2 120.56(17) .
C16 N6 N5 108.2(2) .
C16 N6 Ag1 127.76(19) .
N5 N6 Ag1 121.88(17) .
C31 N5 N6 108.4(2) .
C31 N5 Ag3 125.76(19) .
N6 N5 Ag3 123.24(17) .
C8 N1 N2 108.3(2) .
C8 N1 Ag1 130.5(2) .
N2 N1 Ag1 120.46(18) .
C54 N3 N4 108.4(2) .
C54 N3 Ag2 128.52(18) .
N4 N3 Ag2 121.79(18) .
C39 N4 N3 107.9(2) .
C39 N4 Ag3 132.55(18) .
N3 N4 Ag3 118.33(17) .
N3 C54 C47 110.6(2) .
N3 C54 C55 120.1(2) .
C47 C54 C55 129.2(3) .
N5 C31 C24 109.7(2) .
N5 C31 C32 119.9(3) .
C24 C31 C32 130.4(2) .
C4 C3 C2 120.7(3) .
C4 C3 H3A 119.6 .
C2 C3 H3A 119.6 .
C8 C1 C62 104.1(2) .
C8 C1 C2 128.8(3) .
C62 C1 C2 127.1(3) .
C7 C2 C3 117.8(3) .
C7 C2 C1 122.0(3) .
C3 C2 C1 120.2(3) .
C6 C7 C2 121.2(3) .
C6 C7 H7A 119.4 .
C2 C7 H7A 119.4 .
C54 C47 C39 103.1(2) .
C54 C47 C48 128.4(3) .
C39 C47 C48 128.5(3) .
N6 C16 C24 109.6(2) .
N6 C16 C17 120.4(2) .
C24 C16 C17 130.0(2) .
N2 C62 C1 109.6(2) .
N2 C62 C63 119.2(2) .
C1 C62 C63 131.2(3) .
C53 C48 C49 117.5(3) .
C53 C48 C47 122.1(3) .
C49 C48 C47 120.4(3) .
C31 C32 S5 114.7(2) .
C31 C32 H32A 108.6 .
S5 C32 H32A 108.6 .
C31 C32 H32B 108.6 .
S5 C32 H32B 108.6 .
H32A C32 H32B 107.6 .
C34 C33 C38 118.9(3) .
C34 C33 S5 124.4(2) .
C38 C33 S5 116.7(2) .
C37 C38 C33 120.1(3) .
C37 C38 H38A 119.9 .
C33 C38 H38A 119.9 .
C16 C17 S6 108.98(19) .
C16 C17 H17A 109.9 .
S6 C17 H17A 109.9 .
C16 C17 H17B 109.9 .
S6 C17 H17B 109.9 .
H17A C17 H17B 108.3 .
N1 C8 C1 109.6(3) .
N1 C8 C9 119.4(2) .
C1 C8 C9 131.0(3) .
C54 C55 S3 107.7(2) .
C54 C55 H55A 110.2 .
S3 C55 H55A 110.2 .
C54 C55 H55B 110.2 .
S3 C55 H55B 110.2 .
H55A C55 H55B 108.5 .
C48 C53 C52 121.0(3) .
C48 C53 H53A 119.5 .
C52 C53 H53A 119.5 .
C62 C63 S2 113.5(2) .
C62 C63 H63A 108.9 .
S2 C63 H63A 108.9 .
C62 C63 H63B 108.9 .
S2 C63 H63B 108.9 .
H63A C63 H63B 107.7 .
C8 C9 S1 114.5(2) .
C8 C9 H9A 108.6 .
S1 C9 H9A 108.6 .
C8 C9 H9B 108.6 .
S1 C9 H9B 108.6 .
H9A C9 H9B 107.6 .
C39 C40 S4 107.1(2) .
C39 C40 H40A 110.3 .
S4 C40 H40A 110.3 .
C39 C40 H40B 110.3 .
S4 C40 H40B 110.3 .
H40A C40 H40B 108.6 .
C23 C18 C19 119.6(3) .
C23 C18 S6 124.9(2) .
C19 C18 S6 115.5(2) .
C51 C52 C53 120.5(3) .
C51 C52 H52A 119.8 .
C53 C52 H52A 119.8 .
C33 C34 C35 120.1(3) .
C33 C34 H34A 119.9 .
C35 C34 H34A 119.9 .
C64 C69 C68 118.8(4) .
C64 C69 H69A 120.6 .
C68 C69 H69A 120.6 .
C50 C49 C48 121.2(3) .
C50 C49 H49A 119.4 .
C48 C49 H49A 119.4 .
C6 C5 C4 119.1(3) .
C6 C5 H5A 120.4 .
C4 C5 H5A 120.4 .
C25 C30 C29 119.1(3) .
C25 C30 C24 119.7(3) .
C29 C30 C24 121.0(3) .
C3 C4 C5 120.7(3) .
C3 C4 H4A 119.6 .
C5 C4 H4A 119.6 .
C18 C23 C22 119.5(3) .
C18 C23 H23A 120.3 .
C22 C23 H23A 120.3 .
C21 C22 C23 120.8(3) .
C21 C22 H22A 119.6 .
C23 C22 H22A 119.6 .
C56 C57 C58 119.8(4) .
C56 C57 H57A 120.1 .
C58 C57 H57A 120.1 .
C35 C36 C37 119.0(3) .
C35 C36 H36A 120.5 .
C37 C36 H36A 120.5 .
C67 C68 C69 120.2(4) .
C67 C68 H68A 119.9 .
C69 C68 H68A 119.9 .
C20 C19 C18 120.2(3) .
C20 C19 H19A 119.9 .
C18 C19 H19A 119.9 .
C19 C20 C21 120.2(3) .
C19 C20 H20A 119.9 .
C21 C20 H20A 119.9 .
C36 C35 C34 120.9(3) .
C36 C35 H35A 119.6 .
C34 C35 H35A 119.6 .
C38 C37 C36 120.8(3) .
C38 C37 H37A 119.6 .
C36 C37 H37A 119.6 .
C26 C25 C30 120.2(4) .
C26 C25 H25A 119.9 .
C30 C25 H25A 119.9 .
C58 C59 C60 120.2(3) .
C58 C59 H59A 119.9 .
C60 C59 H59A 119.9 .
C59 C58 C57 120.0(3) .
C59 C58 H58A 120.0 .
C57 C58 H58A 120.0 .
C60 C61 C56 119.8(3) .
C60 C61 H61A 120.1 .
C56 C61 H61A 120.1 .
C30 C29 C28 119.2(4) .
C30 C29 H29A 120.4 .
C28 C29 H29A 120.4 .
C59 C60 C61 119.9(4) .
C59 C60 H60A 120.0 .
C61 C60 H60A 120.0 .
C51 C50 C49 120.5(3) .
C51 C50 H50A 119.8 .
C49 C50 H50A 119.8 .
C52 C51 C50 119.3(3) .
C52 C51 H51A 120.3 .
C50 C51 H51A 120.3 .
C66 C67 C68 120.1(3) .
C66 C67 H67A 119.9 .
C68 C67 H67A 119.9 .
C67 C66 C65 120.8(4) .
C67 C66 H66A 119.6 .
C65 C66 H66A 119.6 .
C66 C65 C64 119.2(4) .
C66 C65 H65A 120.4 .
C64 C65 H65A 120.4 .
C27 C28 C29 121.3(4) .
C27 C28 H28A 119.4 .
C29 C28 H28A 119.4 .
C27 C26 C25 120.8(5) .
C27 C26 H26A 119.6 .
C25 C26 H26A 119.6 .
C28 C27 C26 119.4(3) .
C28 C27 H27A 120.3 .
C26 C27 H27A 120.3 .
C69 C64 C65 120.8(3) .
C69 C64 S2 120.0(3) .
C65 C64 S2 119.1(3) .
N4 C39 C47 110.0(2) .
N4 C39 C40 120.6(2) .
C47 C39 C40 129.3(3) .
C22 C21 C20 119.8(3) .
C22 C21 H21A 120.1 .
C20 C21 H21A 120.1 .
C31 C24 C16 104.2(2) .
C31 C24 C30 127.1(3) .
C16 C24 C30 128.4(3) .
C57 C56 C61 120.2(3) .
C57 C56 S3 118.7(3) .
C61 C56 S3 120.9(2) .
C5 C6 C7 120.5(3) .
C5 C6 H6A 119.8 .
C7 C6 H6A 119.8 .
C11_1 C10_1 C15_1 120.0 .
C11_1 C10_1 S1 125.3(3) .
C15_1 C10_1 S1 114.4(3) .
C12_1 C11_1 C10_1 120.0 .
C12_1 C11_1 H11A_1 120.0 .
C10_1 C11_1 H11A_1 120.0 .
C13_1 C12_1 C11_1 120.0 .
C13_1 C12_1 H12A_1 120.0 .
C11_1 C12_1 H12A_1 120.0 .
C12_1 C13_1 C14_1 120.0 .
C12_1 C13_1 H13A_1 120.0 .
C14_1 C13_1 H13A_1 120.0 .
C15_1 C14_1 C13_1 120.0 .
C15_1 C14_1 H14A_1 120.0 .
C13_1 C14_1 H14A_1 120.0 .
C14_1 C15_1 C10_1 120.0 .
C14_1 C15_1 H15A_1 120.0 .
C10_1 C15_1 H15A_1 120.0 .
C11A_1 C10A_1 C15A_1 120.0 .
C11A_1 C10A_1 S1 121.19(15) .
C15A_1 C10A_1 S1 118.56(15) .
C10A_1 C11A_1 C12A_1 120.0 .
C10A_1 C11A_1 H11B_1 120.0 .
C12A_1 C11A_1 H11B_1 120.0 .
C13A_1 C12A_1 C11A_1 120.0 .
C13A_1 C12A_1 H12B_1 120.0 .
C11A_1 C12A_1 H12B_1 120.0 .
C12A_1 C13A_1 C14A_1 120.0 .
C12A_1 C13A_1 H13B_1 120.0 .
C14A_1 C13A_1 H13B_1 120.0 .
C15A_1 C14A_1 C13A_1 120.0 .
C15A_1 C14A_1 H14B_1 120.0 .
C13A_1 C14A_1 H14B_1 120.0 .
C14A_1 C15A_1 C10A_1 120.0 .
C14A_1 C15A_1 H15B_1 120.0 .
C10A_1 C15A_1 H15B_1 120.0 .
C42_2 C41_2 C46_2 122.1(6) .
C42_2 C41_2 S4 121.9(5) .
C46_2 C41_2 S4 116.1(6) .
C45_2 C44_2 C43_2 119.1(6) .
C45_2 C44_2 H44A_2 119.9 .
C43_2 C44_2 H44A_2 120.9 .
C41_2 C42_2 C43_2 120.7(6) .
C41_2 C42_2 H42A_2 119.7 .
C43_2 C42_2 H42A_2 119.7 .
C42_2 C43_2 C44_2 117.9(6) .
C42_2 C43_2 H43A_2 121.1 .
C44_2 C43_2 H43A_2 121.1 .
C44_2 C45_2 C46_2 123.6(8) .
C44_2 C45_2 H45A_2 118.2 .
C46_2 C45_2 H45A_2 118.2 .
C45_2 C46_2 C41_2 116.5(8) .
C45_2 C46_2 H46A_2 121.8 .
C41_2 C46_2 H46A_2 121.8 .
C42A_2 C41A_2 C46A_2 120.0 .
C42A_2 C41A_2 S4 125.6(5) .
C46A_2 C41A_2 S4 114.3(5) .
C43A_2 C42A_2 C41A_2 120.0 .
C43A_2 C42A_2 H42B_2 120.0 .
C41A_2 C42A_2 H42B_2 120.0 .
C44A_2 C43A_2 C42A_2 120.0 .
C44A_2 C43A_2 H43B_2 120.0 .
C42A_2 C43A_2 H43B_2 120.0 .
C43A_2 C44A_2 C45A_2 120.0 .
C43A_2 C44A_2 H44A_2 101.3 .
C45A_2 C44A_2 H44A_2 134.6 .
C43A_2 C44A_2 H44B_2 120.0 .
C45A_2 C44A_2 H44B_2 120.0 .
C46A_2 C45A_2 C44A_2 120.0 .
C46A_2 C45A_2 H45B_2 120.0 .
C44A_2 C45A_2 H45B_2 120.0 .
C45A_2 C46A_2 C41A_2 120.0 .
C45A_2 C46A_2 H46B_2 120.0 .
C41A_2 C46A_2 H46B_2 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.098(2) .
Ag1 N6 2.101(2) .
Ag1 Ag3 3.2435(3) 2_566
Ag2 N2 2.074(2) .
Ag2 N3 2.087(2) .
S6 C18 1.774(3) .
S6 C17 1.818(3) .
S3 C56 1.784(3) .
S3 C55 1.821(3) .
Ag3 N4 2.095(2) .
Ag3 N5 2.103(2) .
Ag3 Ag1 3.2435(3) 2_566
S5 C33 1.775(3) .
S5 C32 1.820(3) .
S4 C41A_2 1.755(5) .
S4 C41_2 1.802(5) .
S4 C40 1.839(3) .
S2 C64 1.777(3) .
S2 C63 1.838(3) .
S1 C10A_1 1.721(3) .
S1 C9 1.821(3) .
S1 C10_1 1.857(3) .
N2 C62 1.343(4) .
N2 N1 1.361(3) .
N6 C16 1.350(4) .
N6 N5 1.365(3) .
N5 C31 1.347(3) .
N1 C8 1.342(4) .
N3 C54 1.332(4) .
N3 N4 1.367(3) .
N4 C39 1.343(4) .
C54 C47 1.398(4) .
C54 C55 1.502(4) .
C31 C24 1.400(4) .
C31 C32 1.495(4) .
C3 C4 1.385(4) .
C3 C2 1.401(4) .
C3 H3A 0.9500 .
C1 C8 1.398(4) .
C1 C62 1.399(4) .
C1 C2 1.476(4) .
C2 C7 1.395(4) .
C7 C6 1.385(4) .
C7 H7A 0.9500 .
C47 C39 1.410(4) .
C47 C48 1.470(4) .
C16 C24 1.402(4) .
C16 C17 1.493(4) .
C62 C63 1.500(4) .
C48 C53 1.390(4) .
C48 C49 1.396(5) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.389(4) .
C33 C38 1.399(4) .
C38 C37 1.381(5) .
C38 H38A 0.9500 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C8 C9 1.503(4) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C53 C52 1.396(4) .
C53 H53A 0.9500 .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C40 C39 1.486(4) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C18 C23 1.389(4) .
C18 C19 1.389(5) .
C52 C51 1.371(5) .
C52 H52A 0.9500 .
C34 C35 1.392(5) .
C34 H34A 0.9500 .
C69 C64 1.389(5) .
C69 C68 1.390(5) .
C69 H69A 0.9500 .
C49 C50 1.384(5) .
C49 H49A 0.9500 .
C5 C6 1.383(5) .
C5 C4 1.385(5) .
C5 H5A 0.9500 .
C30 C25 1.395(5) .
C30 C29 1.396(5) .
C30 C24 1.472(4) .
C4 H4A 0.9500 .
C23 C22 1.400(5) .
C23 H23A 0.9500 .
C22 C21 1.366(5) .
C22 H22A 0.9500 .
C57 C56 1.376(4) .
C57 C58 1.392(5) .
C57 H57A 0.9500 .
C36 C35 1.377(5) .
C36 C37 1.388(5) .
C36 H36A 0.9500 .
C68 C67 1.388(6) .
C68 H68A 0.9500 .
C19 C20 1.384(5) .
C19 H19A 0.9500 .
C20 C21 1.391(5) .
C20 H20A 0.9500 .
C35 H35A 0.9500 .
C37 H37A 0.9500 .
C25 C26 1.388(5) .
C25 H25A 0.9500 .
C59 C58 1.374(6) .
C59 C60 1.382(6) .
C59 H59A 0.9500 .
C58 H58A 0.9500 .
C61 C60 1.384(5) .
C61 C56 1.384(5) .
C61 H61A 0.9500 .
C29 C28 1.405(5) .
C29 H29A 0.9500 .
C60 H60A 0.9500 .
C50 C51 1.382(5) .
C50 H50A 0.9500 .
C51 H51A 0.9500 .
C67 C66 1.371(6) .
C67 H67A 0.9500 .
C66 C65 1.376(5) .
C66 H66A 0.9500 .
C65 C64 1.394(5) .
C65 H65A 0.9500 .
C28 C27 1.368(8) .
C28 H28A 0.9500 .
C26 C27 1.378(7) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
C21 H21A 0.9500 .
C6 H6A 0.9500 .
C10_1 C11_1 1.3900 .
C10_1 C15_1 1.3900 .
C11_1 C12_1 1.3900 .
C11_1 H11A_1 0.9500 .
C12_1 C13_1 1.3900 .
C12_1 H12A_1 0.9500 .
C13_1 C14_1 1.3900 .
C13_1 H13A_1 0.9500 .
C14_1 C15_1 1.3900 .
C14_1 H14A_1 0.9500 .
C15_1 H15A_1 0.9500 .
C10A_1 C11A_1 1.3900 .
C10A_1 C15A_1 1.3900 .
C11A_1 C12A_1 1.3900 .
C11A_1 H11B_1 0.9500 .
C12A_1 C13A_1 1.3900 .
C12A_1 H12B_1 0.9500 .
C13A_1 C14A_1 1.3900 .
C13A_1 H13B_1 0.9500 .
C14A_1 C15A_1 1.3900 .
C14A_1 H14B_1 0.9500 .
C15A_1 H15B_1 0.9500 .
C41_2 C42_2 1.327(11) .
C41_2 C46_2 1.417(11) .
C44_2 C45_2 1.300(16) .
C44_2 C43_2 1.462(11) .
C44_2 H44A_2 0.9502 .
C42_2 C43_2 1.397(10) .
C42_2 H42A_2 0.9500 .
C43_2 H43A_2 0.9500 .
C45_2 C46_2 1.402(13) .
C45_2 H45A_2 0.9500 .
C46_2 H46A_2 0.9500 .
C41A_2 C42A_2 1.3900 .
C41A_2 C46A_2 1.3900 .
C42A_2 C43A_2 1.3900 .
C42A_2 H42B_2 0.9500 .
C43A_2 C44A_2 1.3900 .
C43A_2 H43B_2 0.9500 .
C44A_2 C45A_2 1.3900 .
C44A_2 H44A_2 1.0696 .
C44A_2 H44B_2 0.9500 .
C45A_2 C46A_2 1.3900 .
C45A_2 H45B_2 0.9500 .
C46A_2 H46B_2 0.9500 .
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
Ag3 Ag1 N6 C16 -86.9(2) 2_566
Ag3 Ag1 N6 N5 112.0(2) 2_566
C16 N6 N5 C31 0.9(3) .
Ag1 N6 N5 C31 165.27(18) .
C16 N6 N5 Ag3 -161.56(18) .
Ag1 N6 N5 Ag3 2.8(3) .
Ag1 Ag3 N5 C31 106.2(2) 2_566
Ag1 Ag3 N5 N6 -94.4(2) 2_566
C62 N2 N1 C8 -0.7(3) .
Ag2 N2 N1 C8 164.13(18) .
C62 N2 N1 Ag1 -171.96(18) .
Ag2 N2 N1 Ag1 -7.1(3) .
Ag3 Ag1 N1 C8 91.2(2) 2_566
Ag3 Ag1 N1 N2 -99.76(19) 2_566
C54 N3 N4 C39 0.3(3) .
Ag2 N3 N4 C39 -167.67(19) .
C54 N3 N4 Ag3 -168.52(19) .
Ag2 N3 N4 Ag3 23.5(3) .
Ag1 Ag3 N4 C39 -94.9(3) 2_566
Ag1 Ag3 N4 N3 70.6(2) 2_566
N4 N3 C54 C47 -0.2(3) .
Ag2 N3 C54 C47 166.7(2) .
N4 N3 C54 C55 -178.3(3) .
Ag2 N3 C54 C55 -11.4(4) .
N6 N5 C31 C24 -0.5(3) .
Ag3 N5 C31 C24 161.39(19) .
N6 N5 C31 C32 178.6(2) .
Ag3 N5 C31 C32 -19.5(4) .
C4 C3 C2 C7 1.0(4) .
C4 C3 C2 C1 -177.0(3) .
C8 C1 C2 C7 50.3(4) .
C62 C1 C2 C7 -128.8(3) .
C8 C1 C2 C3 -131.8(3) .
C62 C1 C2 C3 49.2(4) .
C3 C2 C7 C6 0.3(4) .
C1 C2 C7 C6 178.2(3) .
N3 C54 C47 C39 0.0(3) .
C55 C54 C47 C39 177.9(3) .
N3 C54 C47 C48 -179.6(3) .
C55 C54 C47 C48 -1.7(5) .
N5 N6 C16 C24 -1.0(3) .
Ag1 N6 C16 C24 -164.11(19) .
N5 N6 C16 C17 -179.8(2) .
Ag1 N6 C16 C17 17.1(4) .
N1 N2 C62 C1 0.5(3) .
Ag2 N2 C62 C1 -162.69(19) .
N1 N2 C62 C63 177.6(2) .
Ag2 N2 C62 C63 14.4(4) .
C8 C1 C62 N2 -0.1(3) .
C2 C1 C62 N2 179.2(3) .
C8 C1 C62 C63 -176.7(3) .
C2 C1 C62 C63 2.5(5) .
C54 C47 C48 C53 -45.2(5) .
C39 C47 C48 C53 135.2(3) .
C54 C47 C48 C49 133.8(3) .
C39 C47 C48 C49 -45.7(5) .
N5 C31 C32 S5 56.1(3) .
C24 C31 C32 S5 -125.0(3) .
C33 S5 C32 C31 68.6(2) .
C32 S5 C33 C34 10.7(3) .
C32 S5 C33 C38 -170.7(2) .
C34 C33 C38 C37 0.2(5) .
S5 C33 C38 C37 -178.5(2) .
N6 C16 C17 S6 -69.0(3) .
C24 C16 C17 S6 112.5(3) .
C18 S6 C17 C16 -178.2(2) .
N2 N1 C8 C1 0.7(3) .
Ag1 N1 C8 C1 170.73(19) .
N2 N1 C8 C9 -179.4(2) .
Ag1 N1 C8 C9 -9.4(4) .
C62 C1 C8 N1 -0.4(3) .
C2 C1 C8 N1 -179.6(3) .
C62 C1 C8 C9 179.7(3) .
C2 C1 C8 C9 0.5(5) .
N3 C54 C55 S3 63.4(3) .
C47 C54 C55 S3 -114.4(3) .
C56 S3 C55 C54 -179.3(2) .
C49 C48 C53 C52 0.7(4) .
C47 C48 C53 C52 179.8(3) .
N2 C62 C63 S2 -97.4(3) .
C1 C62 C63 S2 79.0(3) .
C64 S2 C63 C62 -103.3(2) .
N1 C8 C9 S1 -66.2(3) .
C1 C8 C9 S1 113.6(3) .
C10A_1 S1 C9 C8 -81.2(2) .
C10_1 S1 C9 C8 -80.5(3) .
C41A_2 S4 C40 C39 -153.9(4) .
C41_2 S4 C40 C39 -160.8(4) .
C17 S6 C18 C23 1.0(3) .
C17 S6 C18 C19 179.8(2) .
C48 C53 C52 C51 -0.2(5) .
C38 C33 C34 C35 1.2(5) .
S5 C33 C34 C35 179.8(3) .
C53 C48 C49 C50 -0.4(5) .
C47 C48 C49 C50 -179.5(3) .
C2 C3 C4 C5 -1.4(5) .
C6 C5 C4 C3 0.4(5) .
C19 C18 C23 C22 0.5(5) .
S6 C18 C23 C22 179.3(3) .
C18 C23 C22 C21 -0.5(5) .
C64 C69 C68 C67 1.7(5) .
C23 C18 C19 C20 0.1(5) .
S6 C18 C19 C20 -178.8(3) .
C18 C19 C20 C21 -0.6(6) .
C37 C36 C35 C34 0.6(5) .
C33 C34 C35 C36 -1.6(5) .
C33 C38 C37 C36 -1.2(5) .
C35 C36 C37 C38 0.8(5) .
C29 C30 C25 C26 1.3(5) .
C24 C30 C25 C26 -173.4(3) .
C60 C59 C58 C57 0.9(6) .
C56 C57 C58 C59 -1.8(6) .
C25 C30 C29 C28 -2.0(5) .
C24 C30 C29 C28 172.6(3) .
C58 C59 C60 C61 0.9(6) .
C56 C61 C60 C59 -1.7(6) .
C48 C49 C50 C51 -0.3(6) .
C53 C52 C51 C50 -0.5(5) .
C49 C50 C51 C52 0.8(6) .
C69 C68 C67 C66 -1.3(5) .
C68 C67 C66 C65 0.5(5) .
C67 C66 C65 C64 0.0(5) .
C30 C29 C28 C27 1.1(5) .
C30 C25 C26 C27 0.4(6) .
C29 C28 C27 C26 0.6(6) .
C25 C26 C27 C28 -1.3(6) .
C68 C69 C64 C65 -1.2(4) .
C68 C69 C64 S2 178.8(2) .
C66 C65 C64 C69 0.4(5) .
C66 C65 C64 S2 -179.6(2) .
C63 S2 C64 C69 -73.2(3) .
C63 S2 C64 C65 106.8(3) .
N3 N4 C39 C47 -0.3(3) .
Ag3 N4 C39 C47 166.3(2) .
N3 N4 C39 C40 176.7(3) .
Ag3 N4 C39 C40 -16.7(4) .
C54 C47 C39 N4 0.2(3) .
C48 C47 C39 N4 179.8(3) .
C54 C47 C39 C40 -176.5(3) .
C48 C47 C39 C40 3.1(5) .
S4 C40 C39 N4 -84.6(3) .
S4 C40 C39 C47 91.8(3) .
C23 C22 C21 C20 0.0(6) .
C19 C20 C21 C22 0.6(6) .
N5 C31 C24 C16 0.0(3) .
C32 C31 C24 C16 -179.0(3) .
N5 C31 C24 C30 -174.3(3) .
C32 C31 C24 C30 6.7(5) .
N6 C16 C24 C31 0.6(3) .
C17 C16 C24 C31 179.3(3) .
N6 C16 C24 C30 174.8(3) .
C17 C16 C24 C30 -6.6(5) .
C25 C30 C24 C31 126.8(3) .
C29 C30 C24 C31 -47.8(4) .
C25 C30 C24 C16 -46.1(4) .
C29 C30 C24 C16 139.3(3) .
C58 C57 C56 C61 1.0(5) .
C58 C57 C56 S3 -175.2(3) .
C60 C61 C56 C57 0.8(5) .
C60 C61 C56 S3 176.9(3) .
C55 S3 C56 C57 -126.9(3) .
C55 S3 C56 C61 56.9(3) .
C4 C5 C6 C7 0.9(5) .
C2 C7 C6 C5 -1.3(5) .
C10A_1 S1 C10_1 C11_1 148.9(12) .
C9 S1 C10_1 C11_1 -28.2(3) .
C10A_1 S1 C10_1 C15_1 -24.3(9) .
C9 S1 C10_1 C15_1 158.6(3) .
C15_1 C10_1 C11_1 C12_1 0.0 .
S1 C10_1 C11_1 C12_1 -172.8(4) .
C10_1 C11_1 C12_1 C13_1 0.0 .
C11_1 C12_1 C13_1 C14_1 0.0 .
C12_1 C13_1 C14_1 C15_1 0.0 .
C13_1 C14_1 C15_1 C10_1 0.0 .
C11_1 C10_1 C15_1 C14_1 0.0 .
S1 C10_1 C15_1 C14_1 173.6(4) .
C9 S1 C10A_1 C11A_1 16.6(3) .
C10_1 S1 C10A_1 C11A_1 13.6(9) .
C9 S1 C10A_1 C15A_1 -157.63(17) .
C10_1 S1 C10A_1 C15A_1 -160.6(10) .
C15A_1 C10A_1 C11A_1 C12A_1 0.0 .
S1 C10A_1 C11A_1 C12A_1 -174.16(19) .
C10A_1 C11A_1 C12A_1 C13A_1 0.0 .
C11A_1 C12A_1 C13A_1 C14A_1 0.0 .
C12A_1 C13A_1 C14A_1 C15A_1 0.0 .
C13A_1 C14A_1 C15A_1 C10A_1 0.0 .
C11A_1 C10A_1 C15A_1 C14A_1 0.0 .
S1 C10A_1 C15A_1 C14A_1 174.31(19) .
C41A_2 S4 C41_2 C42_2 -136(5) .
C40 S4 C41_2 C42_2 -55.4(10) .
C41A_2 S4 C41_2 C46_2 46(4) .
C40 S4 C41_2 C46_2 126.3(9) .
C46_2 C41_2 C42_2 C43_2 0.2(13) .
S4 C41_2 C42_2 C43_2 -178.0(7) .
C41_2 C42_2 C43_2 C44_2 0.3(10) .
C45_2 C44_2 C43_2 C42_2 1.7(13) .
C43_2 C44_2 C45_2 C46_2 -4.3(17) .
C44_2 C45_2 C46_2 C41_2 4.7(17) .
C42_2 C41_2 C46_2 C45_2 -2.5(15) .
S4 C41_2 C46_2 C45_2 175.8(9) .
C41_2 S4 C41A_2 C42A_2 65(4) .
C40 S4 C41A_2 C42A_2 -36.5(9) .
C41_2 S4 C41A_2 C46A_2 -111(4) .
C40 S4 C41A_2 C46A_2 148.1(7) .
C46A_2 C41A_2 C42A_2 C43A_2 0.0 .
S4 C41A_2 C42A_2 C43A_2 -175.1(7) .
C41A_2 C42A_2 C43A_2 C44A_2 0.0 .
C42A_2 C43A_2 C44A_2 C45A_2 0.0 .
C43A_2 C44A_2 C45A_2 C46A_2 0.0 .
C44A_2 C45A_2 C46A_2 C41A_2 0.0 .
C42A_2 C41A_2 C46A_2 C45A_2 0.0 .
S4 C41A_2 C46A_2 C45A_2 175.7(6) .
