#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/30/4303074.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_4303074
loop_
_publ_author_name
'Andrew L. Johnson'
'Alexander M. Willcocks'
'Stephen P. Richards'
_publ_contact_author_address
;
Department of Chemistry,
University of Bath.
Claverton Down.
Bath.
BA2 7AY
United Kingdon
;
_publ_contact_author_email       a.l.johnson@bath.ac.uk
_publ_contact_author_fax         '+44 (0) 1225 386231'
_publ_contact_author_name        'Dr. Andrew L. Johnson'
_publ_contact_author_phone       '+44 (0) 1225 384467'
_publ_section_title
;
Synthesis and Structures of Group 11 Metal Triazenide Complexes: Ligand
Supported Metallophilic Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8613
_journal_page_last               8622
_journal_paper_doi               10.1021/ic901051f
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C79 H110 Ag3 N9'
_chemical_formula_weight         1509.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.5770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.77800(10)
_cell_length_b                   19.97300(10)
_cell_length_c                   19.96700(10)
_cell_measurement_reflns_used    144388
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      8.17
_cell_volume                     7777.56(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Kappa CCD'
_computing_data_reduction        'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP 3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker Kappa CCD Diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            144388
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         8.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_correction_T_min  0.8447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3152
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.936
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     845
_refine_ls_number_reflns         23190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0275P)²+4.1412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0737
_reflns_number_gt                19033
_reflns_number_total             23190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901051f_si_001_2.cif
_cod_data_source_block           Ag3L3:Tol
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'Constr' changed to
'constr' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        7777.55(7)
_cod_database_code               4303074
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.297695(6) 0.984460(6) 0.168162(6) 0.01925(3) Uani 1 1 d . . .
Ag2 Ag 0.216687(7) 0.950405(6) 0.278637(6) 0.02065(3) Uani 1 1 d . . .
Ag3 Ag 0.229312(6) 1.090024(6) 0.233602(6) 0.01900(3) Uani 1 1 d . . .
N1 N 0.33484(7) 0.89116(7) 0.21095(7) 0.0207(3) Uani 1 1 d . . .
N2 N 0.29351(7) 0.84198(7) 0.21720(6) 0.0194(3) Uani 1 1 d . . .
N3 N 0.23272(7) 0.86036(7) 0.22684(7) 0.0194(3) Uani 1 1 d . . .
N4 N 0.20028(8) 1.00647(7) 0.36485(7) 0.0226(3) Uani 1 1 d . . .
N5 N 0.22193(8) 1.06542(7) 0.38352(7) 0.0218(3) Uani 1 1 d . . .
N6 N 0.24614(7) 1.10143(7) 0.33916(7) 0.0211(3) Uani 1 1 d . . .
N7 N 0.20124(7) 1.11789(7) 0.13154(7) 0.0200(3) Uani 1 1 d . . .
N8 N 0.23127(7) 1.10423(7) 0.08034(7) 0.0197(3) Uani 1 1 d . . .
N9 N 0.27528(7) 1.05589(7) 0.08902(7) 0.0193(3) Uani 1 1 d . . .
C1 C 0.40367(8) 0.87020(8) 0.20525(8) 0.0215(3) Uani 1 1 d . . .
C2 C 0.42006(9) 0.85536(8) 0.14109(9) 0.0226(3) Uani 1 1 d . . .
C3 C 0.48844(10) 0.84122(10) 0.13710(10) 0.0311(4) Uani 1 1 d . . .
H3 H 0.5008 0.8311 0.0942 0.037 Uiso 1 1 calc R . .
C4 C 0.53858(10) 0.84172(12) 0.19442(11) 0.0389(5) Uani 1 1 d . . .
H4 H 0.5849 0.8326 0.1907 0.047 Uiso 1 1 calc R . .
C5 C 0.52099(10) 0.85563(12) 0.25731(11) 0.0388(5) Uani 1 1 d . . .
H5 H 0.5556 0.8556 0.2965 0.047 Uiso 1 1 calc R . .
C6 C 0.45337(10) 0.86965(10) 0.26430(9) 0.0295(4) Uani 1 1 d . . .
C7 C 0.36490(9) 0.85179(9) 0.07825(9) 0.0260(3) Uani 1 1 d . . .
H7 H 0.3281 0.8843 0.0848 0.031 Uiso 1 1 calc R . .
C8 C 0.39037(11) 0.87106(11) 0.01276(10) 0.0342(4) Uani 1 1 d . . .
H8A H 0.4224 0.8369 0.0018 0.051 Uiso 1 1 calc R . .
H8B H 0.4138 0.9144 0.0188 0.051 Uiso 1 1 calc R . .
H8C H 0.3513 0.8743 -0.0244 0.051 Uiso 1 1 calc R . .
C9 C 0.33245(13) 0.78228(12) 0.07137(11) 0.0415(5) Uani 1 1 d . . .
H9A H 0.3146 0.7713 0.1129 0.062 Uiso 1 1 calc R . .
H9B H 0.3671 0.7492 0.0641 0.062 Uiso 1 1 calc R . .
H9C H 0.2949 0.7817 0.0326 0.062 Uiso 1 1 calc R . .
C10 C 0.43506(11) 0.88475(12) 0.33345(10) 0.0375(5) Uani 1 1 d . . .
H10 H 0.3843 0.8794 0.3294 0.045 Uiso 1 1 calc R . .
C11 C 0.4517(2) 0.95668(18) 0.3534(2) 0.0843(11) Uani 1 1 d . . .
H11A H 0.4260 0.9866 0.3194 0.126 Uiso 1 1 calc R . .
H11B H 0.5009 0.9644 0.3557 0.126 Uiso 1 1 calc R . .
H11C H 0.4389 0.9656 0.3979 0.126 Uiso 1 1 calc R . .
C12 C 0.46829(16) 0.83537(18) 0.38781(12) 0.0641(8) Uani 1 1 d . . .
H12A H 0.5180 0.8422 0.3963 0.096 Uiso 1 1 calc R . .
H12B H 0.4581 0.7894 0.3720 0.096 Uiso 1 1 calc R . .
H12C H 0.4500 0.8428 0.4299 0.096 Uiso 1 1 calc R . .
C13 C 0.18639(9) 0.80450(8) 0.22670(8) 0.0213(3) Uani 1 1 d . . .
C14 C 0.14121(9) 0.79001(9) 0.16616(9) 0.0238(3) Uani 1 1 d . . .
C15 C 0.09619(10) 0.73663(10) 0.16643(10) 0.0321(4) Uani 1 1 d . . .
H15 H 0.0656 0.7257 0.1260 0.039 Uiso 1 1 calc R . .
C16 C 0.09520(11) 0.69914(11) 0.22446(11) 0.0375(5) Uani 1 1 d . . .
H16 H 0.0645 0.6624 0.2235 0.045 Uiso 1 1 calc R . .
C17 C 0.13868(11) 0.71489(10) 0.28381(11) 0.0359(4) Uani 1 1 d . . .
H17 H 0.1372 0.6891 0.3235 0.043 Uiso 1 1 calc R . .
C18 C 0.18498(10) 0.76828(9) 0.28647(9) 0.0273(4) Uani 1 1 d . . .
C19 C 0.14062(10) 0.83319(10) 0.10347(9) 0.0287(4) Uani 1 1 d . . .
H19 H 0.1892 0.8450 0.1006 0.034 Uiso 1 1 calc R . .
C20 C 0.10172(13) 0.89839(11) 0.10962(11) 0.0392(5) Uani 1 1 d . . .
H20A H 0.1225 0.9221 0.1509 0.059 Uiso 1 1 calc R . .
H20B H 0.0537 0.8883 0.1119 0.059 Uiso 1 1 calc R . .
H20C H 0.1041 0.9266 0.0699 0.059 Uiso 1 1 calc R . .
C21 C 0.11045(14) 0.79694(12) 0.03784(10) 0.0427(5) Uani 1 1 d . . .
H21A H 0.0611 0.7903 0.0365 0.064 Uiso 1 1 calc R . .
H21B H 0.1330 0.7534 0.0363 0.064 Uiso 1 1 calc R . .
H21C H 0.1179 0.8239 -0.0013 0.064 Uiso 1 1 calc R . .
C22 C 0.23250(11) 0.78496(10) 0.35222(9) 0.0329(4) Uani 1 1 d . . .
H22 H 0.2471 0.8327 0.3493 0.039 Uiso 1 1 calc R . .
C23 C 0.29681(13) 0.74181(13) 0.36045(12) 0.0450(5) Uani 1 1 d . . .
H23A H 0.3207 0.7492 0.3219 0.067 Uiso 1 1 calc R . .
H23B H 0.2840 0.6945 0.3621 0.067 Uiso 1 1 calc R . .
H23C H 0.3271 0.7539 0.4027 0.067 Uiso 1 1 calc R . .
C24 C 0.19612(14) 0.77875(12) 0.41386(11) 0.0440(5) Uani 1 1 d . . .
H24A H 0.2254 0.7974 0.4539 0.066 Uiso 1 1 calc R . .
H24B H 0.1870 0.7315 0.4219 0.066 Uiso 1 1 calc R . .
H24C H 0.1527 0.8034 0.4052 0.066 Uiso 1 1 calc R . .
C25 C 0.17630(11) 0.97107(9) 0.41982(9) 0.0273(4) Uani 1 1 d . . .
C26 C 0.10598(12) 0.95738(10) 0.41317(11) 0.0347(4) Uani 1 1 d . . .
C27 C 0.08280(14) 0.92544(12) 0.46787(13) 0.0467(6) Uani 1 1 d . . .
H27 H 0.0355 0.9151 0.4649 0.056 Uiso 1 1 calc R . .
C28 C 0.12809(17) 0.90890(12) 0.52581(13) 0.0530(7) Uani 1 1 d . . .
H28 H 0.1114 0.8889 0.5630 0.064 Uiso 1 1 calc R . .
C29 C 0.19723(15) 0.92111(11) 0.53030(11) 0.0452(6) Uani 1 1 d . . .
H29 H 0.2276 0.9083 0.5702 0.054 Uiso 1 1 calc R . .
C30 C 0.22361(12) 0.95194(9) 0.47732(9) 0.0330(4) Uani 1 1 d . . .
C31 C 0.05654(11) 0.97546(12) 0.34900(12) 0.0390(5) Uani 1 1 d . . .
H31 H 0.0796 1.0100 0.3243 0.047 Uiso 1 1 calc R . .
C32 C 0.04290(16) 0.91464(15) 0.30234(14) 0.0561(7) Uani 1 1 d . . .
H32A H 0.0209 0.8794 0.3253 0.084 Uiso 1 1 calc R . .
H32B H 0.0864 0.8979 0.2915 0.084 Uiso 1 1 calc R . .
H32C H 0.0127 0.9276 0.2603 0.084 Uiso 1 1 calc R . .
C33 C -0.01027(16) 1.0060(2) 0.36362(18) 0.0702(9) Uani 1 1 d . . .
H33A H 0.0001 1.0434 0.3955 0.105 Uiso 1 1 calc R . .
H33B H -0.0365 0.9719 0.3835 0.105 Uiso 1 1 calc R . .
H33C H -0.0373 1.0224 0.3212 0.105 Uiso 1 1 calc R . .
C34 C 0.30014(12) 0.96396(11) 0.48265(10) 0.0374(5) Uani 1 1 d . . .
H34 H 0.3096 0.9728 0.4358 0.045 Uiso 1 1 calc R . .
C35 C 0.32319(17) 1.02570(14) 0.52600(13) 0.0569(7) Uani 1 1 d . . .
H35A H 0.3725 1.0325 0.5278 0.085 Uiso 1 1 calc R . .
H35B H 0.3135 1.0189 0.5721 0.085 Uiso 1 1 calc R . .
H35C H 0.2983 1.0652 0.5059 0.085 Uiso 1 1 calc R . .
C36 C 0.34274(16) 0.90301(13) 0.51046(14) 0.0534(6) Uani 1 1 d . . .
H36A H 0.3360 0.8943 0.5572 0.080 Uiso 1 1 calc R . .
H36B H 0.3914 0.9119 0.5099 0.080 Uiso 1 1 calc R . .
H36C H 0.3281 0.8639 0.4821 0.080 Uiso 1 1 calc R . .
C37 C 0.26483(9) 1.16764(9) 0.36459(8) 0.0237(3) Uani 1 1 d . . .
C38 C 0.21338(11) 1.21504(10) 0.36807(10) 0.0320(4) Uani 1 1 d . . .
C39 C 0.23401(14) 1.27799(11) 0.39403(13) 0.0463(5) Uani 1 1 d . . .
H39 H 0.2002 1.3110 0.3976 0.056 Uiso 1 1 calc R . .
C40 C 0.30191(14) 1.29339(12) 0.41460(13) 0.0494(6) Uani 1 1 d . . .
H40 H 0.3145 1.3363 0.4331 0.059 Uiso 1 1 calc R . .
C41 C 0.35179(12) 1.24699(11) 0.40853(11) 0.0405(5) Uani 1 1 d . . .
H41 H 0.3987 1.2587 0.4219 0.049 Uiso 1 1 calc R . .
C42 C 0.33481(10) 1.18288(10) 0.38297(9) 0.0292(4) Uani 1 1 d . . .
C43 C 0.13781(11) 1.19990(11) 0.34505(12) 0.0392(5) Uani 1 1 d . . .
H43 H 0.1351 1.1583 0.3169 0.047 Uiso 1 1 calc R . .
C44 C 0.10071(14) 1.25496(14) 0.30031(14) 0.0537(6) Uani 1 1 d . . .
H44A H 0.0972 1.2951 0.3278 0.081 Uiso 1 1 calc R . .
H44B H 0.0546 1.2396 0.2806 0.081 Uiso 1 1 calc R . .
H44C H 0.1264 1.2656 0.2638 0.081 Uiso 1 1 calc R . .
C45 C 0.10228(14) 1.18503(17) 0.40540(16) 0.0606(7) Uani 1 1 d . . .
H45A H 0.0540 1.1741 0.3891 0.091 Uiso 1 1 calc R . .
H45B H 0.1051 1.2244 0.4350 0.091 Uiso 1 1 calc R . .
H45C H 0.1248 1.1470 0.4310 0.091 Uiso 1 1 calc R . .
C46 C 0.38955(10) 1.13223(12) 0.37352(11) 0.0368(4) Uani 1 1 d . . .
H46 H 0.3693 1.0866 0.3756 0.044 Uiso 1 1 calc R . .
C47 C 0.40981(14) 1.14034(15) 0.30341(14) 0.0535(6) Uani 1 1 d . . .
H47A H 0.4278 1.1856 0.2991 0.080 Uiso 1 1 calc R . .
H47B H 0.3695 1.1333 0.2683 0.080 Uiso 1 1 calc R . .
H47C H 0.4451 1.1074 0.2978 0.080 Uiso 1 1 calc R . .
C48 C 0.45319(15) 1.13607(19) 0.42861(18) 0.0707(9) Uani 1 1 d . . .
H48A H 0.4396 1.1311 0.4734 0.106 Uiso 1 1 calc R . .
H48B H 0.4757 1.1795 0.4260 0.106 Uiso 1 1 calc R . .
H48C H 0.4850 1.1001 0.4217 0.106 Uiso 1 1 calc R . .
C49 C 0.15454(9) 1.17365(8) 0.11951(8) 0.0231(3) Uani 1 1 d . . .
C50 C 0.08506(10) 1.16075(10) 0.12053(9) 0.0278(4) Uani 1 1 d . . .
C51 C 0.03919(12) 1.21462(12) 0.11042(11) 0.0399(5) Uani 1 1 d . . .
H51 H -0.0082 1.2072 0.1110 0.048 Uiso 1 1 calc R . .
C52 C 0.06188(14) 1.27788(12) 0.09973(12) 0.0483(6) Uani 1 1 d . . .
H52 H 0.0300 1.3137 0.0917 0.058 Uiso 1 1 calc R . .
C53 C 0.13077(15) 1.29009(11) 0.10047(12) 0.0469(6) Uani 1 1 d . . .
H53 H 0.1455 1.3345 0.0936 0.056 Uiso 1 1 calc R . .
C54 C 0.17946(11) 1.23864(10) 0.11105(10) 0.0340(4) Uani 1 1 d . . .
C55 C 0.05942(10) 1.09023(10) 0.12932(10) 0.0313(4) Uani 1 1 d . . .
H55 H 0.1004 1.0613 0.1447 0.038 Uiso 1 1 calc R . .
C56 C 0.02329(14) 1.06279(14) 0.06177(12) 0.0483(6) Uani 1 1 d . . .
H56A H 0.0549 1.0632 0.0289 0.072 Uiso 1 1 calc R . .
H56B H -0.0167 1.0907 0.0449 0.072 Uiso 1 1 calc R . .
H56C H 0.0083 1.0168 0.0680 0.072 Uiso 1 1 calc R . .
C57 C 0.01265(14) 1.08551(15) 0.18306(13) 0.0508(6) Uani 1 1 d . . .
H57A H -0.0287 1.1124 0.1687 0.076 Uiso 1 1 calc R . .
H57B H 0.0370 1.1025 0.2265 0.076 Uiso 1 1 calc R . .
H57C H -0.0003 1.0387 0.1884 0.076 Uiso 1 1 calc R . .
C58 C 0.25544(13) 1.25309(11) 0.11807(14) 0.0455(5) Uani 1 1 d . . .
H58 H 0.2778 1.2123 0.1026 0.055 Uiso 1 1 calc R . .
C59 C 0.28540(19) 1.2642(2) 0.19212(18) 0.0846(12) Uani 1 1 d . . .
H59A H 0.2738 1.2262 0.2191 0.127 Uiso 1 1 calc R . .
H59B H 0.2665 1.3054 0.2082 0.127 Uiso 1 1 calc R . .
H59C H 0.3354 1.2682 0.1970 0.127 Uiso 1 1 calc R . .
C60 C 0.27344(18) 1.31187(15) 0.07571(16) 0.0623(7) Uani 1 1 d . . .
H60A H 0.3234 1.3152 0.0797 0.093 Uiso 1 1 calc R . .
H60B H 0.2554 1.3533 0.0922 0.093 Uiso 1 1 calc R . .
H60C H 0.2531 1.3049 0.0280 0.093 Uiso 1 1 calc R . .
C61 C 0.31015(9) 1.04852(8) 0.03116(8) 0.0198(3) Uani 1 1 d . . .
C62 C 0.27618(9) 1.02103(9) -0.02998(8) 0.0236(3) Uani 1 1 d . . .
C63 C 0.31270(10) 1.01644(9) -0.08420(9) 0.0289(4) Uani 1 1 d . . .
H63 H 0.2906 0.9990 -0.1265 0.035 Uiso 1 1 calc R . .
C64 C 0.38028(11) 1.03689(10) -0.07722(10) 0.0317(4) Uani 1 1 d . . .
H64 H 0.4040 1.0339 -0.1148 0.038 Uiso 1 1 calc R . .
C65 C 0.41351(10) 1.06170(10) -0.01587(10) 0.0301(4) Uani 1 1 d . . .
H65 H 0.4604 1.0741 -0.0113 0.036 Uiso 1 1 calc R . .
C66 C 0.37913(9) 1.06881(9) 0.03966(9) 0.0241(3) Uani 1 1 d . . .
C67 C 0.20206(10) 0.99794(10) -0.03873(9) 0.0276(4) Uani 1 1 d . . .
H67 H 0.1894 0.9938 0.0075 0.033 Uiso 1 1 calc R . .
C68 C 0.19228(13) 0.92921(12) -0.07280(13) 0.0431(5) Uani 1 1 d . . .
H68A H 0.2225 0.8966 -0.0461 0.065 Uiso 1 1 calc R . .
H68B H 0.2036 0.9320 -0.1187 0.065 Uiso 1 1 calc R . .
H68C H 0.1445 0.9150 -0.0755 0.065 Uiso 1 1 calc R . .
C69 C 0.15422(12) 1.04936(12) -0.07829(13) 0.0420(5) Uani 1 1 d . . .
H69A H 0.1668 1.0558 -0.1233 0.063 Uiso 1 1 calc R . .
H69B H 0.1583 1.0920 -0.0537 0.063 Uiso 1 1 calc R . .
H69C H 0.1068 1.0333 -0.0834 0.063 Uiso 1 1 calc R . .
C70 C 0.41535(10) 1.09831(10) 0.10603(10) 0.0301(4) Uani 1 1 d . . .
H70 H 0.3809 1.1014 0.1374 0.036 Uiso 1 1 calc R . .
C71 C 0.47277(15) 1.05321(15) 0.13954(15) 0.0610(8) Uani 1 1 d . . .
H71A H 0.5082 1.0502 0.1107 0.092 Uiso 1 1 calc R . .
H71B H 0.4545 1.0085 0.1458 0.092 Uiso 1 1 calc R . .
H71C H 0.4928 1.0718 0.1838 0.092 Uiso 1 1 calc R . .
C72 C 0.44127(16) 1.16916(13) 0.09631(14) 0.0544(6) Uani 1 1 d . . .
H72A H 0.4036 1.1965 0.0727 0.082 Uiso 1 1 calc R . .
H72B H 0.4783 1.1674 0.0693 0.082 Uiso 1 1 calc R . .
H72C H 0.4586 1.1890 0.1407 0.082 Uiso 1 1 calc R . .
C1S C 0.33507(19) 0.5938(2) 0.22207(14) 0.0710(9) Uani 1 1 d . . .
C2S C 0.2658(2) 0.6060(2) 0.21822(14) 0.0736(10) Uani 1 1 d . . .
H2S H 0.2494 0.6508 0.2148 0.088 Uiso 1 1 calc R . .
C3S C 0.2206(2) 0.5549(2) 0.21929(16) 0.0758(10) Uani 1 1 d . . .
H3S H 0.1733 0.5646 0.2174 0.091 Uiso 1 1 calc R . .
C4S C 0.2422(2) 0.4901(2) 0.22304(15) 0.0790(10) Uani 1 1 d . . .
H4S H 0.2100 0.4548 0.2227 0.095 Uiso 1 1 calc R . .
C5S C 0.3111(2) 0.4760(2) 0.22733(16) 0.0781(10) Uani 1 1 d . . .
H5S H 0.3264 0.4308 0.2306 0.094 Uiso 1 1 calc R . .
C6S C 0.3574(2) 0.5267(2) 0.22683(15) 0.0769(11) Uani 1 1 d . . .
H6S H 0.4047 0.5167 0.2297 0.092 Uiso 1 1 calc R . .
C7S C 0.3833(3) 0.6483(3) 0.2217(3) 0.1129(16) Uani 1 1 d . . .
H7S1 H 0.4148 0.6493 0.2651 0.169 Uiso 1 1 calc R . .
H7S2 H 0.3584 0.6908 0.2151 0.169 Uiso 1 1 calc R . .
H7S3 H 0.4095 0.6417 0.1847 0.169 Uiso 1 1 calc R . .
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'
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'
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
N9 Ag1 N1 154.60(5) . . ?
N9 Ag1 Ag3 78.07(4) . . ?
N1 Ag1 Ag3 127.26(4) . . ?
N9 Ag1 Ag2 128.83(4) . . ?
N1 Ag1 Ag2 72.45(4) . . ?
Ag3 Ag1 Ag2 59.615(4) . . ?
N4 Ag2 N3 153.69(5) . . ?
N4 Ag2 Ag3 77.35(4) . . ?
N3 Ag2 Ag3 128.61(4) . . ?
N4 Ag2 Ag1 130.27(4) . . ?
N3 Ag2 Ag1 72.18(4) . . ?
Ag3 Ag2 Ag1 58.772(4) . . ?
N6 Ag3 N7 157.37(5) . . ?
N6 Ag3 Ag1 121.37(4) . . ?
N7 Ag3 Ag1 79.90(4) . . ?
N6 Ag3 Ag2 78.66(4) . . ?
N7 Ag3 Ag2 121.64(4) . . ?
Ag1 Ag3 Ag2 61.613(4) . . ?
N2 N1 C1 113.87(13) . . ?
N2 N1 Ag1 121.37(10) . . ?
C1 N1 Ag1 119.22(10) . . ?
N1 N2 N3 114.39(13) . . ?
N2 N3 C13 112.54(13) . . ?
N2 N3 Ag2 121.81(10) . . ?
C13 N3 Ag2 120.60(10) . . ?
N5 N4 C25 111.22(13) . . ?
N5 N4 Ag2 128.98(11) . . ?
C25 N4 Ag2 118.02(11) . . ?
N4 N5 N6 116.99(13) . . ?
N5 N6 C37 111.78(13) . . ?
N5 N6 Ag3 127.94(11) . . ?
C37 N6 Ag3 116.32(10) . . ?
N8 N7 C49 113.38(13) . . ?
N8 N7 Ag3 129.04(11) . . ?
C49 N7 Ag3 115.21(10) . . ?
N9 N8 N7 116.05(13) . . ?
N8 N9 C61 111.63(12) . . ?
N8 N9 Ag1 130.94(10) . . ?
C61 N9 Ag1 117.25(10) . . ?
C6 C1 C2 121.92(16) . . ?
C6 C1 N1 118.21(15) . . ?
C2 C1 N1 119.73(14) . . ?
C3 C2 C1 117.87(16) . . ?
C3 C2 C7 120.78(16) . . ?
C1 C2 C7 121.30(15) . . ?
C4 C3 C2 121.24(18) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C3 C4 C5 119.83(18) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 121.33(18) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C1 117.79(17) . . ?
C5 C6 C10 120.62(17) . . ?
C1 C6 C10 121.58(16) . . ?
C2 C7 C9 110.49(16) . . ?
C2 C7 C8 113.65(15) . . ?
C9 C7 C8 110.24(16) . . ?
C2 C7 H7 107.4 . . ?
C9 C7 H7 107.4 . . ?
C8 C7 H7 107.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C6 110.7(2) . . ?
C11 C10 C12 112.1(3) . . ?
C6 C10 C12 112.23(18) . . ?
C11 C10 H10 107.1 . . ?
C6 C10 H10 107.1 . . ?
C12 C10 H10 107.1 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 121.72(16) . . ?
C18 C13 N3 120.03(15) . . ?
C14 C13 N3 118.18(14) . . ?
C15 C14 C13 118.02(16) . . ?
C15 C14 C19 121.45(16) . . ?
C13 C14 C19 120.50(15) . . ?
C16 C15 C14 121.14(18) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 120.17(18) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 121.08(18) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C13 C18 C17 117.82(17) . . ?
C13 C18 C22 121.76(16) . . ?
C17 C18 C22 120.41(16) . . ?
C14 C19 C20 110.66(16) . . ?
C14 C19 C21 112.71(16) . . ?
C20 C19 C21 110.03(17) . . ?
C14 C19 H19 107.8 . . ?
C20 C19 H19 107.8 . . ?
C21 C19 H19 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 C23 110.79(17) . . ?
C18 C22 C24 111.79(18) . . ?
C23 C22 C24 111.31(17) . . ?
C18 C22 H22 107.6 . . ?
C23 C22 H22 107.6 . . ?
C24 C22 H22 107.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 122.58(17) . . ?
C26 C25 N4 117.89(17) . . ?
C30 C25 N4 119.53(18) . . ?
C25 C26 C27 117.5(2) . . ?
C25 C26 C31 121.47(17) . . ?
C27 C26 C31 121.0(2) . . ?
C28 C27 C26 120.6(2) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 120.7(2) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 121.4(2) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C25 117.1(2) . . ?
C29 C30 C34 120.7(2) . . ?
C25 C30 C34 122.25(17) . . ?
C26 C31 C33 112.9(2) . . ?
C26 C31 C32 110.4(2) . . ?
C33 C31 C32 111.3(2) . . ?
C26 C31 H31 107.3 . . ?
C33 C31 H31 107.3 . . ?
C32 C31 H31 107.3 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 C36 112.4(2) . . ?
C30 C34 C35 111.5(2) . . ?
C36 C34 C35 109.9(2) . . ?
C30 C34 H34 107.6 . . ?
C36 C34 H34 107.6 . . ?
C35 C34 H34 107.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C42 122.21(16) . . ?
C38 C37 N6 119.45(16) . . ?
C42 C37 N6 118.31(16) . . ?
C39 C38 C37 117.25(19) . . ?
C39 C38 C43 120.27(19) . . ?
C37 C38 C43 122.47(17) . . ?
C40 C39 C38 121.6(2) . . ?
C40 C39 H39 119.2 . . ?
C38 C39 H39 119.2 . . ?
C39 C40 C41 120.2(2) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C40 C41 C42 121.2(2) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 H41 119.4 . . ?
C41 C42 C37 117.39(19) . . ?
C41 C42 C46 121.55(18) . . ?
C37 C42 C46 121.04(16) . . ?
C38 C43 C45 111.1(2) . . ?
C38 C43 C44 112.8(2) . . ?
C45 C43 C44 111.3(2) . . ?
C38 C43 H43 107.1 . . ?
C45 C43 H43 107.1 . . ?
C44 C43 H43 107.1 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C46 C47 110.17(19) . . ?
C42 C46 C48 113.3(2) . . ?
C47 C46 C48 110.1(2) . . ?
C42 C46 H46 107.7 . . ?
C47 C46 H46 107.7 . . ?
C48 C46 H46 107.7 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 122.32(16) . . ?
C50 C49 N7 117.26(15) . . ?
C54 C49 N7 120.32(16) . . ?
C51 C50 C49 118.03(19) . . ?
C51 C50 C55 120.60(18) . . ?
C49 C50 C55 121.32(16) . . ?
C52 C51 C50 120.7(2) . . ?
C52 C51 H51 119.7 . . ?
C50 C51 H51 119.7 . . ?
C51 C52 C53 120.6(2) . . ?
C51 C52 H52 119.7 . . ?
C53 C52 H52 119.7 . . ?
C52 C53 C54 121.6(2) . . ?
C52 C53 H53 119.2 . . ?
C54 C53 H53 119.2 . . ?
C53 C54 C49 116.7(2) . . ?
C53 C54 C58 121.4(2) . . ?
C49 C54 C58 121.76(17) . . ?
C50 C55 C56 110.42(18) . . ?
C50 C55 C57 113.00(18) . . ?
C56 C55 C57 110.49(19) . . ?
C50 C55 H55 107.6 . . ?
C56 C55 H55 107.6 . . ?
C57 C55 H55 107.6 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 C59 109.8(2) . . ?
C54 C58 C60 114.6(2) . . ?
C59 C58 C60 109.9(2) . . ?
C54 C58 H58 107.4 . . ?
C59 C58 H58 107.4 . . ?
C60 C58 H58 107.4 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C66 122.16(15) . . ?
C62 C61 N9 120.73(15) . . ?
C66 C61 N9 117.10(15) . . ?
C63 C62 C61 117.64(16) . . ?
C63 C62 C67 120.21(16) . . ?
C61 C62 C67 122.14(15) . . ?
C64 C63 C62 121.14(17) . . ?
C64 C63 H63 119.4 . . ?
C62 C63 H63 119.4 . . ?
C65 C64 C63 120.30(17) . . ?
C65 C64 H64 119.9 . . ?
C63 C64 H64 119.9 . . ?
C64 C65 C66 121.07(18) . . ?
C64 C65 H65 119.5 . . ?
C66 C65 H65 119.5 . . ?
C65 C66 C61 117.64(17) . . ?
C65 C66 C70 120.67(16) . . ?
C61 C66 C70 121.69(15) . . ?
C62 C67 C69 111.04(16) . . ?
C62 C67 C68 111.82(17) . . ?
C69 C67 C68 110.62(18) . . ?
C62 C67 H67 107.7 . . ?
C69 C67 H67 107.7 . . ?
C68 C67 H67 107.7 . . ?
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 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 C66 111.42(18) . . ?
C71 C70 C72 111.3(2) . . ?
C66 C70 C72 111.62(18) . . ?
C71 C70 H70 107.4 . . ?
C66 C70 H70 107.4 . . ?
C72 C70 H70 107.4 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C2S C1S C6S 117.9(4) . . ?
C2S C1S C7S 121.1(4) . . ?
C6S C1S C7S 121.1(4) . . ?
C3S C2S C1S 121.0(4) . . ?
C3S C2S H2S 119.5 . . ?
C1S C2S H2S 119.5 . . ?
C2S C3S C4S 121.0(4) . . ?
C2S C3S H3S 119.5 . . ?
C4S C3S H3S 119.5 . . ?
C3S C4S C5S 119.7(4) . . ?
C3S C4S H4S 120.2 . . ?
C5S C4S H4S 120.2 . . ?
C6S C5S C4S 120.2(4) . . ?
C6S C5S H5S 119.9 . . ?
C4S C5S H5S 119.9 . . ?
C5S C6S C1S 120.2(4) . . ?
C5S C6S H6S 119.9 . . ?
C1S C6S H6S 119.9 . . ?
C1S C7S H7S1 109.5 . . ?
C1S C7S H7S2 109.5 . . ?
H7S1 C7S H7S2 109.5 . . ?
C1S C7S H7S3 109.5 . . ?
H7S1 C7S H7S3 109.5 . . ?
H7S2 C7S H7S3 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 N9 2.1204(13) . ?
Ag1 N1 2.1291(14) . ?
Ag1 Ag3 2.92748(17) . ?
Ag1 Ag2 3.01186(17) . ?
Ag2 N4 2.1233(14) . ?
Ag2 N3 2.1245(13) . ?
Ag2 Ag3 2.95330(17) . ?
Ag3 N6 2.0907(13) . ?
Ag3 N7 2.0963(13) . ?
N1 N2 1.297(2) . ?
N1 C1 1.447(2) . ?
N2 N3 1.3017(19) . ?
N3 C13 1.444(2) . ?
N4 N5 1.287(2) . ?
N4 C25 1.450(2) . ?
N5 N6 1.293(2) . ?
N6 C37 1.442(2) . ?
N7 N8 1.2939(19) . ?
N7 C49 1.441(2) . ?
N8 N9 1.2922(19) . ?
N9 C61 1.448(2) . ?
C1 C6 1.404(2) . ?
C1 C2 1.404(2) . ?
C2 C3 1.397(2) . ?
C2 C7 1.521(2) . ?
C3 C4 1.384(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(3) . ?
C5 H5 0.9500 . ?
C6 C10 1.515(3) . ?
C7 C9 1.526(3) . ?
C7 C8 1.527(3) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.512(4) . ?
C10 C12 1.531(3) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.400(2) . ?
C13 C14 1.409(2) . ?
C14 C15 1.390(3) . ?
C14 C19 1.519(2) . ?
C15 C16 1.383(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(3) . ?
C17 H17 0.9500 . ?
C18 C22 1.519(3) . ?
C19 C20 1.528(3) . ?
C19 C21 1.529(3) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.522(3) . ?
C22 C24 1.531(3) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.402(3) . ?
C25 C30 1.408(3) . ?
C26 C27 1.406(3) . ?
C26 C31 1.520(3) . ?
C27 C28 1.380(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.377(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.398(3) . ?
C29 H29 0.9500 . ?
C30 C34 1.519(3) . ?
C31 C33 1.527(4) . ?
C31 C32 1.527(4) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.531(3) . ?
C34 C35 1.532(3) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.400(3) . ?
C37 C42 1.405(3) . ?
C38 C39 1.395(3) . ?
C38 C43 1.519(3) . ?
C39 C40 1.372(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.374(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.398(3) . ?
C41 H41 0.9500 . ?
C42 C46 1.516(3) . ?
C43 C45 1.522(4) . ?
C43 C44 1.526(3) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.527(4) . ?
C46 C48 1.530(3) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.402(3) . ?
C49 C54 1.409(3) . ?
C50 C51 1.400(3) . ?
C50 C55 1.517(3) . ?
C51 C52 1.369(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.382(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.400(3) . ?
C53 H53 0.9500 . ?
C54 C58 1.514(3) . ?
C55 C56 1.520(3) . ?
C55 C57 1.532(3) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.515(4) . ?
C58 C60 1.523(3) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.404(2) . ?
C61 C66 1.406(2) . ?
C62 C63 1.401(2) . ?
C62 C67 1.519(3) . ?
C63 C64 1.382(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.382(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.401(3) . ?
C65 H65 0.9500 . ?
C66 C70 1.517(3) . ?
C67 C69 1.525(3) . ?
C67 C68 1.530(3) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.515(3) . ?
C70 C72 1.528(3) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C1S C2S 1.382(5) . ?
C1S C6S 1.410(5) . ?
C1S C7S 1.449(7) . ?
C2S C3S 1.358(6) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.361(6) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.381(5) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.366(6) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C7S H7S1 0.9800 . ?
C7S H7S2 0.9800 . ?
C7S H7S3 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N9 Ag1 Ag2 N4 -70.63(7) . . . . ?
N1 Ag1 Ag2 N4 125.28(7) . . . . ?
Ag3 Ag1 Ag2 N4 -31.86(5) . . . . ?
N9 Ag1 Ag2 N3 125.27(6) . . . . ?
N1 Ag1 Ag2 N3 -38.82(6) . . . . ?
Ag3 Ag1 Ag2 N3 164.04(4) . . . . ?
N9 Ag1 Ag2 Ag3 -38.77(5) . . . . ?
N1 Ag1 Ag2 Ag3 157.14(4) . . . . ?
N9 Ag1 Ag3 N6 -156.15(6) . . . . ?
N1 Ag1 Ag3 N6 26.02(7) . . . . ?
Ag2 Ag1 Ag3 N6 53.75(5) . . . . ?
N9 Ag1 Ag3 N7 15.52(6) . . . . ?
N1 Ag1 Ag3 N7 -162.31(6) . . . . ?
Ag2 Ag1 Ag3 N7 -134.58(4) . . . . ?
N9 Ag1 Ag3 Ag2 150.09(4) . . . . ?
N1 Ag1 Ag3 Ag2 -27.74(5) . . . . ?
N4 Ag2 Ag3 N6 20.23(6) . . . . ?
N3 Ag2 Ag3 N6 -154.96(6) . . . . ?
Ag1 Ag2 Ag3 N6 -135.39(4) . . . . ?
N4 Ag2 Ag3 N7 -148.93(6) . . . . ?
N3 Ag2 Ag3 N7 35.88(7) . . . . ?
Ag1 Ag2 Ag3 N7 55.45(4) . . . . ?
N4 Ag2 Ag3 Ag1 155.62(4) . . . . ?
N3 Ag2 Ag3 Ag1 -19.57(5) . . . . ?
N9 Ag1 N1 N2 -98.49(16) . . . . ?
Ag3 Ag1 N1 N2 76.56(12) . . . . ?
Ag2 Ag1 N1 N2 51.66(11) . . . . ?
N9 Ag1 N1 C1 53.63(19) . . . . ?
Ag3 Ag1 N1 C1 -131.33(10) . . . . ?
Ag2 Ag1 N1 C1 -156.23(12) . . . . ?
C1 N1 N2 N3 175.72(13) . . . . ?
Ag1 N1 N2 N3 -30.80(17) . . . . ?
N1 N2 N3 C13 174.18(13) . . . . ?
N1 N2 N3 Ag2 -30.86(17) . . . . ?
N4 Ag2 N3 N2 -100.04(16) . . . . ?
Ag3 Ag2 N3 N2 69.32(12) . . . . ?
Ag1 Ag2 N3 N2 51.81(11) . . . . ?
N4 Ag2 N3 C13 52.95(19) . . . . ?
Ag3 Ag2 N3 C13 -137.69(10) . . . . ?
Ag1 Ag2 N3 C13 -155.20(12) . . . . ?
N3 Ag2 N4 N5 145.02(13) . . . . ?
Ag3 Ag2 N4 N5 -26.47(14) . . . . ?
Ag1 Ag2 N4 N5 1.09(17) . . . . ?
N3 Ag2 N4 C25 -18.3(2) . . . . ?
Ag3 Ag2 N4 C25 170.17(14) . . . . ?
Ag1 Ag2 N4 C25 -162.27(11) . . . . ?
C25 N4 N5 N6 178.50(15) . . . . ?
Ag2 N4 N5 N6 14.2(2) . . . . ?
N4 N5 N6 C37 176.49(15) . . . . ?
N4 N5 N6 Ag3 20.0(2) . . . . ?
N7 Ag3 N6 N5 125.83(16) . . . . ?
Ag1 Ag3 N6 N5 -75.92(15) . . . . ?
Ag2 Ag3 N6 N5 -29.57(13) . . . . ?
N7 Ag3 N6 C37 -29.8(2) . . . . ?
Ag1 Ag3 N6 C37 128.49(11) . . . . ?
Ag2 Ag3 N6 C37 174.84(12) . . . . ?
N6 Ag3 N7 N8 137.68(15) . . . . ?
Ag1 Ag3 N7 N8 -23.57(13) . . . . ?
Ag2 Ag3 N7 N8 -70.96(15) . . . . ?
N6 Ag3 N7 C49 -23.5(2) . . . . ?
Ag1 Ag3 N7 C49 175.25(12) . . . . ?
Ag2 Ag3 N7 C49 127.86(11) . . . . ?
C49 N7 N8 N9 178.02(14) . . . . ?
Ag3 N7 N8 N9 16.6(2) . . . . ?
N7 N8 N9 C61 -174.99(14) . . . . ?
N7 N8 N9 Ag1 10.1(2) . . . . ?
N1 Ag1 N9 N8 155.81(13) . . . . ?
Ag3 Ag1 N9 N8 -20.16(13) . . . . ?
Ag2 Ag1 N9 N8 13.35(17) . . . . ?
N1 Ag1 N9 C61 -18.9(2) . . . . ?
Ag3 Ag1 N9 C61 165.13(12) . . . . ?
Ag2 Ag1 N9 C61 -161.35(9) . . . . ?
N2 N1 C1 C6 -96.16(19) . . . . ?
Ag1 N1 C1 C6 109.73(16) . . . . ?
N2 N1 C1 C2 87.99(18) . . . . ?
Ag1 N1 C1 C2 -66.12(18) . . . . ?
C6 C1 C2 C3 -1.4(3) . . . . ?
N1 C1 C2 C3 174.32(16) . . . . ?
C6 C1 C2 C7 176.04(17) . . . . ?
N1 C1 C2 C7 -8.3(2) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C7 C2 C3 C4 -177.40(19) . . . . ?
C2 C3 C4 C5 0.8(3) . . . . ?
C3 C4 C5 C6 -0.4(4) . . . . ?
C4 C5 C6 C1 -0.9(3) . . . . ?
C4 C5 C6 C10 180.0(2) . . . . ?
C2 C1 C6 C5 1.8(3) . . . . ?
N1 C1 C6 C5 -173.95(18) . . . . ?
C2 C1 C6 C10 -179.11(18) . . . . ?
N1 C1 C6 C10 5.1(3) . . . . ?
C3 C2 C7 C9 92.0(2) . . . . ?
C1 C2 C7 C9 -85.3(2) . . . . ?
C3 C2 C7 C8 -32.5(2) . . . . ?
C1 C2 C7 C8 150.15(17) . . . . ?
C5 C6 C10 C11 80.5(3) . . . . ?
C1 C6 C10 C11 -98.6(3) . . . . ?
C5 C6 C10 C12 -45.7(3) . . . . ?
C1 C6 C10 C12 135.3(2) . . . . ?
N2 N3 C13 C18 85.57(18) . . . . ?
Ag2 N3 C13 C18 -69.73(18) . . . . ?
N2 N3 C13 C14 -97.33(17) . . . . ?
Ag2 N3 C13 C14 107.37(15) . . . . ?
C18 C13 C14 C15 -2.3(3) . . . . ?
N3 C13 C14 C15 -179.34(16) . . . . ?
C18 C13 C14 C19 175.78(17) . . . . ?
N3 C13 C14 C19 -1.3(2) . . . . ?
C13 C14 C15 C16 0.6(3) . . . . ?
C19 C14 C15 C16 -177.46(19) . . . . ?
C14 C15 C16 C17 0.9(3) . . . . ?
C15 C16 C17 C18 -0.7(3) . . . . ?
C14 C13 C18 C17 2.4(3) . . . . ?
N3 C13 C18 C17 179.44(16) . . . . ?
C14 C13 C18 C22 -178.48(17) . . . . ?
N3 C13 C18 C22 -1.5(3) . . . . ?
C16 C17 C18 C13 -0.9(3) . . . . ?
C16 C17 C18 C22 180.0(2) . . . . ?
C15 C14 C19 C20 100.0(2) . . . . ?
C13 C14 C19 C20 -78.0(2) . . . . ?
C15 C14 C19 C21 -23.7(3) . . . . ?
C13 C14 C19 C21 158.27(18) . . . . ?
C13 C18 C22 C23 -94.5(2) . . . . ?
C17 C18 C22 C23 84.5(2) . . . . ?
C13 C18 C22 C24 140.67(18) . . . . ?
C17 C18 C22 C24 -40.3(3) . . . . ?
N5 N4 C25 C26 112.39(18) . . . . ?
Ag2 N4 C25 C26 -81.42(18) . . . . ?
N5 N4 C25 C30 -67.5(2) . . . . ?
Ag2 N4 C25 C30 98.68(17) . . . . ?
C30 C25 C26 C27 2.4(3) . . . . ?
N4 C25 C26 C27 -177.50(17) . . . . ?
C30 C25 C26 C31 -176.84(18) . . . . ?
N4 C25 C26 C31 3.3(3) . . . . ?
C25 C26 C27 C28 0.4(3) . . . . ?
C31 C26 C27 C28 179.7(2) . . . . ?
C26 C27 C28 C29 -2.4(4) . . . . ?
C27 C28 C29 C30 1.5(4) . . . . ?
C28 C29 C30 C25 1.2(3) . . . . ?
C28 C29 C30 C34 -179.0(2) . . . . ?
C26 C25 C30 C29 -3.2(3) . . . . ?
N4 C25 C30 C29 176.70(17) . . . . ?
C26 C25 C30 C34 176.97(18) . . . . ?
N4 C25 C30 C34 -3.1(3) . . . . ?
C25 C26 C31 C33 -137.3(2) . . . . ?
C27 C26 C31 C33 43.5(3) . . . . ?
C25 C26 C31 C32 97.4(2) . . . . ?
C27 C26 C31 C32 -81.8(3) . . . . ?
C29 C30 C34 C36 44.5(3) . . . . ?
C25 C30 C34 C36 -135.6(2) . . . . ?
C29 C30 C34 C35 -79.5(2) . . . . ?
C25 C30 C34 C35 100.4(2) . . . . ?
N5 N6 C37 C38 -76.0(2) . . . . ?
Ag3 N6 C37 C38 83.42(18) . . . . ?
N5 N6 C37 C42 106.09(18) . . . . ?
Ag3 N6 C37 C42 -94.46(16) . . . . ?
C42 C37 C38 C39 -3.2(3) . . . . ?
N6 C37 C38 C39 179.01(18) . . . . ?
C42 C37 C38 C43 176.95(18) . . . . ?
N6 C37 C38 C43 -0.8(3) . . . . ?
C37 C38 C39 C40 0.8(4) . . . . ?
C43 C38 C39 C40 -179.3(2) . . . . ?
C38 C39 C40 C41 1.5(4) . . . . ?
C39 C40 C41 C42 -1.5(4) . . . . ?
C40 C41 C42 C37 -0.8(3) . . . . ?
C40 C41 C42 C46 177.6(2) . . . . ?
C38 C37 C42 C41 3.2(3) . . . . ?
N6 C37 C42 C41 -179.00(17) . . . . ?
C38 C37 C42 C46 -175.18(18) . . . . ?
N6 C37 C42 C46 2.6(3) . . . . ?
C39 C38 C43 C45 -78.9(3) . . . . ?
C37 C38 C43 C45 100.9(2) . . . . ?
C39 C38 C43 C44 46.9(3) . . . . ?
C37 C38 C43 C44 -133.3(2) . . . . ?
C41 C42 C46 C47 -88.1(2) . . . . ?
C37 C42 C46 C47 90.2(2) . . . . ?
C41 C42 C46 C48 35.8(3) . . . . ?
C37 C42 C46 C48 -145.9(2) . . . . ?
N8 N7 C49 C50 117.04(16) . . . . ?
Ag3 N7 C49 C50 -78.80(16) . . . . ?
N8 N7 C49 C54 -66.4(2) . . . . ?
Ag3 N7 C49 C54 97.72(16) . . . . ?
C54 C49 C50 C51 2.2(3) . . . . ?
N7 C49 C50 C51 178.63(15) . . . . ?
C54 C49 C50 C55 179.65(17) . . . . ?
N7 C49 C50 C55 -3.9(2) . . . . ?
C49 C50 C51 C52 0.1(3) . . . . ?
C55 C50 C51 C52 -177.35(19) . . . . ?
C50 C51 C52 C53 -1.7(3) . . . . ?
C51 C52 C53 C54 1.0(4) . . . . ?
C52 C53 C54 C49 1.3(3) . . . . ?
C52 C53 C54 C58 -174.5(2) . . . . ?
C50 C49 C54 C53 -2.8(3) . . . . ?
N7 C49 C54 C53 -179.18(17) . . . . ?
C50 C49 C54 C58 172.86(19) . . . . ?
N7 C49 C54 C58 -3.5(3) . . . . ?
C51 C50 C55 C56 73.7(2) . . . . ?
C49 C50 C55 C56 -103.7(2) . . . . ?
C51 C50 C55 C57 -50.6(2) . . . . ?
C49 C50 C55 C57 132.00(19) . . . . ?
C53 C54 C58 C59 90.7(3) . . . . ?
C49 C54 C58 C59 -84.8(3) . . . . ?
C53 C54 C58 C60 -33.4(3) . . . . ?
C49 C54 C58 C60 151.1(2) . . . . ?
N8 N9 C61 C62 -73.51(19) . . . . ?
Ag1 N9 C61 C62 102.19(15) . . . . ?
N8 N9 C61 C66 107.68(16) . . . . ?
Ag1 N9 C61 C66 -76.62(16) . . . . ?
C66 C61 C62 C63 -2.3(2) . . . . ?
N9 C61 C62 C63 178.94(15) . . . . ?
C66 C61 C62 C67 178.86(16) . . . . ?
N9 C61 C62 C67 0.1(2) . . . . ?
C61 C62 C63 C64 1.4(3) . . . . ?
C67 C62 C63 C64 -179.72(17) . . . . ?
C62 C63 C64 C65 0.8(3) . . . . ?
C63 C64 C65 C66 -2.2(3) . . . . ?
C64 C65 C66 C61 1.3(3) . . . . ?
C64 C65 C66 C70 -177.88(17) . . . . ?
C62 C61 C66 C65 1.0(2) . . . . ?
N9 C61 C66 C65 179.77(15) . . . . ?
C62 C61 C66 C70 -179.86(16) . . . . ?
N9 C61 C66 C70 -1.1(2) . . . . ?
C63 C62 C67 C69 -77.0(2) . . . . ?
C61 C62 C67 C69 101.8(2) . . . . ?
C63 C62 C67 C68 47.1(2) . . . . ?
C61 C62 C67 C68 -134.08(18) . . . . ?
C65 C66 C70 C71 -66.2(3) . . . . ?
C61 C66 C70 C71 114.7(2) . . . . ?
C65 C66 C70 C72 59.0(2) . . . . ?
C61 C66 C70 C72 -120.1(2) . . . . ?
C6S C1S C2S C3S 0.3(4) . . . . ?
C7S C1S C2S C3S -179.3(3) . . . . ?
C1S C2S C3S C4S -1.1(5) . . . . ?
C2S C3S C4S C5S 1.4(5) . . . . ?
C3S C4S C5S C6S -0.9(5) . . . . ?
C4S C5S C6S C1S 0.1(5) . . . . ?
C2S C1S C6S C5S 0.2(4) . . . . ?
C7S C1S C6S C5S 179.8(3) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139127029
