#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:39:36 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179758 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/54/7005469.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_7005469
loop_
_publ_author_name
'Onodera, Kuniaki'
'Kasuga, Noriko Chikaraishi'
'Takashima, Tomomi'
'Hara, Akihiro'
'Amano, Akifumi'
'Murakami, Hideyuki'
'Nomiya, Kenji'
_publ_section_title
;
 Synthesis, reaction and structure of a highly light-stable silver(I)
 cluster with an Ag4S4N4 core having a tridentate 4N-morpholyl
 2-acetylpyridine thiosemicarbazone ligand: use of water-soluble
 silver(I) carboxylates as a silver(I) source.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3646
_journal_page_last               3652
_journal_paper_doi               10.1039/b702427d
_journal_year                    2007
_chemical_compound_source        'local laboratory'
_chemical_formula_moiety         'C60 H60 Ag2 N8 O2 P2 S2'
_chemical_formula_sum            'C60 H60 Ag2 N8 O2 P2 S2'
_chemical_formula_weight         1266.96
_chemical_name_systematic        ?
_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
_cell_angle_alpha                105.026(2)
_cell_angle_beta                 102.176(2)
_cell_angle_gamma                100.290(2)
_cell_formula_units_Z            2
_cell_length_a                   13.348(2)
_cell_length_b                   14.701(3)
_cell_length_c                   15.139(3)
_cell_measurement_reflns_used    9091
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.9999
_cell_volume                     2717.6(9)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    'Bruker SHELXTL '
_computing_publication_material  'WinGX (Farrugia, 1999) '
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 14.892
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       dtintegrate.ref
_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  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0748
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26421
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_T_max  0.7472
_exptl_absorpt_correction_T_min  0.7179
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.55
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.027
_refine_diff_density_min         -1.287
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         9872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0390P)²+6.8187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                8302
_reflns_number_total             9872
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b702427d.txt
_cod_data_source_block           CCDC637149
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2717.6(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005469
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
C1 C 0.4194(3) 0.0420(3) 0.8388(3) 0.0330(11) Uani 1 1 d . . .
H1 H 0.4030 0.0002 0.7755 0.040 Uiso 1 1 calc R . .
C2 C 0.3840(4) 0.0089(4) 0.9056(4) 0.0365(11) Uani 1 1 d . . .
H2 H 0.3421 -0.0556 0.8897 0.044 Uiso 1 1 calc R . .
C3 C 0.4108(4) 0.0719(4) 0.9972(4) 0.0363(11) Uani 1 1 d . . .
H3 H 0.3869 0.0486 1.0440 0.044 Uiso 1 1 calc R . .
C4 C 0.4677(3) 0.1625(3) 1.0233(3) 0.0154(8) Uani 1 1 d . . .
H4 H 0.4828 0.2035 1.0868 0.018 Uiso 1 1 calc R . .
C5 C 0.5035(3) 0.1953(3) 0.9581(3) 0.0231(9) Uani 1 1 d . . .
C6 C 0.5678(3) 0.2963(3) 0.9895(3) 0.0225(9) Uani 1 1 d . . .
C7 C 0.5511(4) 0.3699(3) 1.0710(3) 0.0301(10) Uani 1 1 d . . .
H7A H 0.5027 0.3372 1.1000 0.036 Uiso 1 1 calc R . .
H7C H 0.5207 0.4181 1.0478 0.036 Uiso 1 1 calc R . .
H7B H 0.6192 0.4026 1.1185 0.036 Uiso 1 1 calc R . .
C8 C 0.7670(3) 0.4392(3) 0.9399(3) 0.0221(9) Uani 1 1 d . . .
C9 C 0.7459(5) 0.6061(4) 0.9972(5) 0.0530(16) Uani 1 1 d . . .
H9A H 0.7850 0.6402 1.0646 0.064 Uiso 1 1 calc R . .
H9B H 0.6741 0.5714 0.9951 0.064 Uiso 1 1 calc R . .
C10 C 0.7379(4) 0.6775(4) 0.9444(4) 0.0468(14) Uani 1 1 d . . .
H10A H 0.6925 0.6434 0.8789 0.056 Uiso 1 1 calc R . .
H10B H 0.7033 0.7261 0.9754 0.056 Uiso 1 1 calc R . .
C11 C 0.8862(5) 0.6570(4) 0.8953(4) 0.0490(14) Uani 1 1 d . . .
H11A H 0.9558 0.6919 0.8928 0.059 Uiso 1 1 calc R . .
H11B H 0.8428 0.6227 0.8292 0.059 Uiso 1 1 calc R . .
C12 C 0.9020(3) 0.5841(3) 0.9464(3) 0.0306(10) Uani 1 1 d . . .
H12A H 0.9336 0.5354 0.9111 0.037 Uiso 1 1 calc R . .
H12B H 0.9512 0.6171 1.0105 0.037 Uiso 1 1 calc R . .
C13 C 0.7936(4) 0.2130(3) 1.0879(4) 0.0357(11) Uani 1 1 d . . .
H13 H 0.7583 0.2638 1.0997 0.043 Uiso 1 1 calc R . .
C14 C 0.8708(4) 0.2089(3) 1.1620(3) 0.0356(11) Uani 1 1 d . . .
H14 H 0.8884 0.2551 1.2234 0.043 Uiso 1 1 calc R . .
C15 C 0.9209(4) 0.1356(4) 1.1437(4) 0.0400(12) Uani 1 1 d . . .
H15 H 0.9749 0.1301 1.1927 0.048 Uiso 1 1 calc R . .
C16 C 0.8935(4) 0.0702(4) 1.0547(3) 0.0324(11) Uani 1 1 d . . .
H16 H 0.9282 0.0191 1.0417 0.039 Uiso 1 1 calc R . .
C17 C 0.8155(3) 0.0786(3) 0.9842(3) 0.0257(9) Uani 1 1 d . . .
C18 C 0.7877(3) 0.0124(3) 0.8863(3) 0.0272(10) Uani 1 1 d . . .
C19 C 0.8047(4) -0.0884(3) 0.8672(4) 0.0390(12) Uani 1 1 d . . .
H19A H 0.8201 -0.1041 0.9269 0.047 Uiso 1 1 calc R . .
H19B H 0.8644 -0.0916 0.8392 0.047 Uiso 1 1 calc R . .
H19C H 0.7407 -0.1351 0.8229 0.047 Uiso 1 1 calc R . .
C20 C 0.7015(3) 0.0217(3) 0.6596(3) 0.0263(10) Uani 1 1 d . . .
C21 C 0.7991(4) -0.0759(4) 0.5695(3) 0.0384(12) Uani 1 1 d . . .
H21A H 0.8242 -0.0882 0.6307 0.046 Uiso 1 1 calc R . .
H21B H 0.8596 -0.0350 0.5581 0.046 Uiso 1 1 calc R . .
C22 C 0.7589(4) -0.1702(3) 0.4911(3) 0.0340(11) Uani 1 1 d . . .
H22A H 0.8163 -0.2042 0.4876 0.041 Uiso 1 1 calc R . .
H22B H 0.7006 -0.2123 0.5041 0.041 Uiso 1 1 calc R . .
C23 C 0.6375(4) -0.1077(4) 0.4069(3) 0.0338(11) Uani 1 1 d . . .
H23A H 0.5786 -0.1517 0.4172 0.041 Uiso 1 1 calc R . .
H23B H 0.6116 -0.0975 0.3449 0.041 Uiso 1 1 calc R . .
C24 C 0.6672(4) -0.0115(3) 0.4840(3) 0.0296(10) Uani 1 1 d . . .
H24A H 0.7184 0.0365 0.4696 0.035 Uiso 1 1 calc R . .
H24B H 0.6035 0.0135 0.4876 0.035 Uiso 1 1 calc R . .
C25 C 0.5330(3) 0.3800(3) 0.6565(3) 0.0188(8) Uani 1 1 d . . .
C26 C 0.5348(3) 0.3749(3) 0.7472(3) 0.0242(9) Uani 1 1 d . . .
H26 H 0.5954 0.3640 0.7848 0.029 Uiso 1 1 calc R . .
C27 C 0.4486(4) 0.3854(3) 0.7833(3) 0.0318(10) Uani 1 1 d . . .
H27 H 0.4508 0.3824 0.8456 0.038 Uiso 1 1 calc R . .
C28 C 0.3595(3) 0.4003(3) 0.7284(3) 0.0270(10) Uani 1 1 d . . .
H28 H 0.3006 0.4079 0.7530 0.032 Uiso 1 1 calc R . .
C29 C 0.3570(3) 0.4040(3) 0.6376(3) 0.0261(10) Uani 1 1 d . . .
H29 H 0.2957 0.4134 0.5996 0.031 Uiso 1 1 calc R . .
C30 C 0.4433(3) 0.3939(3) 0.6013(3) 0.0223(9) Uani 1 1 d . . .
H30 H 0.4408 0.3965 0.5389 0.027 Uiso 1 1 calc R . .
C31 C 0.6003(3) 0.3175(3) 0.4875(3) 0.0188(8) Uani 1 1 d . . .
C32 C 0.6073(3) 0.3710(3) 0.4245(3) 0.0221(9) Uani 1 1 d . . .
H32 H 0.6385 0.4390 0.4481 0.027 Uiso 1 1 calc R . .
C33 C 0.5684(3) 0.3249(3) 0.3266(3) 0.0280(10) Uani 1 1 d . . .
H33 H 0.5738 0.3617 0.2838 0.034 Uiso 1 1 calc R . .
C34 C 0.5223(3) 0.2263(3) 0.2917(3) 0.0288(10) Uani 1 1 d . . .
H34 H 0.4956 0.1955 0.2251 0.035 Uiso 1 1 calc R . .
C35 C 0.5147(3) 0.1722(3) 0.3538(3) 0.0290(10) Uani 1 1 d . . .
H35 H 0.4824 0.1044 0.3297 0.035 Uiso 1 1 calc R . .
C36 C 0.5543(3) 0.2170(3) 0.4510(3) 0.0233(9) Uani 1 1 d . . .
H36 H 0.5502 0.1795 0.4933 0.028 Uiso 1 1 calc R . .
C37 C 0.7165(3) 0.4965(3) 0.6310(3) 0.0187(8) Uani 1 1 d . . .
C38 C 0.6674(3) 0.5734(3) 0.6448(3) 0.0244(9) Uani 1 1 d . . .
H38 H 0.5964 0.5622 0.6489 0.029 Uiso 1 1 calc R . .
C39 C 0.7218(3) 0.6662(3) 0.6526(3) 0.0275(10) Uani 1 1 d . . .
H39 H 0.6877 0.7180 0.6614 0.033 Uiso 1 1 calc R . .
C40 C 0.8251(3) 0.6833(3) 0.6477(3) 0.0275(10) Uani 1 1 d . . .
H40 H 0.8620 0.7470 0.6530 0.033 Uiso 1 1 calc R . .
C41 C 0.8749(3) 0.6084(3) 0.6351(3) 0.0262(9) Uani 1 1 d . . .
H41 H 0.9459 0.6205 0.6312 0.031 Uiso 1 1 calc R . .
C42 C 0.8223(3) 0.5158(3) 0.6280(3) 0.0226(9) Uani 1 1 d . . .
H42 H 0.8579 0.4650 0.6211 0.027 Uiso 1 1 calc R . .
C43 C 0.9085(3) 0.1987(3) 0.5306(3) 0.0186(8) Uani 1 1 d . . .
C44 C 0.8328(3) 0.2216(3) 0.4663(3) 0.0249(9) Uani 1 1 d . . .
H44 H 0.8008 0.2726 0.4891 0.030 Uiso 1 1 calc R . .
C45 C 0.8035(3) 0.1714(3) 0.3700(3) 0.0276(10) Uani 1 1 d . . .
H45 H 0.7532 0.1888 0.3270 0.033 Uiso 1 1 calc R . .
C46 C 0.8480(3) 0.0959(3) 0.3368(3) 0.0289(10) Uani 1 1 d . . .
H46 H 0.8270 0.0601 0.2711 0.035 Uiso 1 1 calc R . .
C47 C 0.9227(3) 0.0724(3) 0.3990(3) 0.0291(10) Uani 1 1 d . . .
H47 H 0.9533 0.0205 0.3758 0.035 Uiso 1 1 calc R . .
C48 C 0.9537(3) 0.1237(3) 0.4951(3) 0.0250(9) Uani 1 1 d . . .
H48 H 1.0062 0.1075 0.5371 0.030 Uiso 1 1 calc R . .
C49 C 1.0245(3) 0.3795(3) 0.6735(3) 0.0201(8) Uani 1 1 d . . .
C50 C 1.0650(3) 0.4413(3) 0.7671(3) 0.0238(9) Uani 1 1 d . . .
H50 H 1.0439 0.4223 0.8171 0.029 Uiso 1 1 calc R . .
C51 C 1.1356(3) 0.5302(3) 0.7871(3) 0.0294(10) Uani 1 1 d . . .
H51 H 1.1638 0.5711 0.8510 0.035 Uiso 1 1 calc R . .
C52 C 1.1652(3) 0.5596(3) 0.7150(3) 0.0294(10) Uani 1 1 d . . .
H52 H 1.2140 0.6205 0.7292 0.035 Uiso 1 1 calc R . .
C53 C 1.1238(3) 0.5005(3) 0.6217(3) 0.0278(10) Uani 1 1 d . . .
H53 H 1.1423 0.5215 0.5717 0.033 Uiso 1 1 calc R . .
C54 C 1.0547(3) 0.4098(3) 0.6013(3) 0.0237(9) Uani 1 1 d . . .
H54 H 1.0281 0.3684 0.5375 0.028 Uiso 1 1 calc R . .
C55 C 1.0165(3) 0.2073(3) 0.7229(3) 0.0187(8) Uani 1 1 d . . .
C56 C 0.9760(3) 0.1622(3) 0.7824(3) 0.0246(9) Uani 1 1 d . . .
H56 H 0.9048 0.1587 0.7844 0.029 Uiso 1 1 calc R . .
C57 C 1.0391(4) 0.1222(3) 0.8388(3) 0.0296(10) Uani 1 1 d . . .
H57 H 1.0110 0.0918 0.8797 0.036 Uiso 1 1 calc R . .
C58 C 1.1425(3) 0.1263(3) 0.8362(3) 0.0269(10) Uani 1 1 d . . .
H58 H 1.1854 0.0989 0.8752 0.032 Uiso 1 1 calc R . .
C59 C 1.1834(3) 0.1702(3) 0.7768(3) 0.0250(9) Uani 1 1 d . . .
H59 H 1.2544 0.1724 0.7744 0.030 Uiso 1 1 calc R . .
C60 C 1.1215(3) 0.2112(3) 0.7206(3) 0.0211(9) Uani 1 1 d . . .
H60 H 1.1503 0.2420 0.6803 0.025 Uiso 1 1 calc R . .
Ag1 Ag 0.71543(3) 0.20190(2) 0.84886(2) 0.02761(10) Uani 1 1 d . . .
Ag2 Ag 0.76480(2) 0.28337(2) 0.69532(2) 0.02290(10) Uani 1 1 d . . .
N1 N 0.4800(3) 0.1374(3) 0.8634(3) 0.0445(11) Uani 1 1 d . . .
N2 N 0.6358(3) 0.3171(2) 0.9432(2) 0.0201(7) Uani 1 1 d . . .
N3 N 0.6845(3) 0.4154(2) 0.9717(2) 0.0221(7) Uani 1 1 d . . .
N4 N 0.8012(3) 0.5362(3) 0.9545(3) 0.0408(11) Uani 1 1 d . . .
N5 N 0.7650(3) 0.1498(3) 0.9999(3) 0.0343(9) Uani 1 1 d . . .
N6 N 0.7534(3) 0.0481(2) 0.8189(2) 0.0245(8) Uani 1 1 d . . .
N7 N 0.7437(3) -0.0092(2) 0.7296(3) 0.0267(8) Uani 1 1 d . . .
N8 N 0.7143(3) -0.0247(3) 0.5743(3) 0.0366(10) Uani 1 1 d . . .
P1 P 0.65128(8) 0.37093(7) 0.61665(7) 0.0169(2) Uani 1 1 d . . .
P2 P 0.93247(8) 0.26444(7) 0.65538(7) 0.0174(2) Uani 1 1 d . . .
S1 S 0.83815(8) 0.36316(7) 0.88498(7) 0.0223(2) Uani 1 1 d . . .
S2 S 0.62956(8) 0.11065(7) 0.66588(7) 0.0221(2) Uani 1 1 d . . .
O1 O 0.8357(3) 0.7253(3) 0.9401(3) 0.0491(10) Uani 1 1 d . . .
O2 O 0.7216(3) -0.1534(2) 0.4031(2) 0.0372(8) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 C1 N1 120.0(4) . . ?
C2 C1 H1 120.0 . . ?
N1 C1 H1 120.0 . . ?
C1 C2 C3 118.1(5) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
C4 C3 C2 123.8(5) . . ?
C4 C3 H3 118.1 . . ?
C2 C3 H3 118.1 . . ?
C3 C4 C5 118.5(4) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C4 C5 N1 122.0(4) . . ?
C4 C5 C6 117.3(4) . . ?
N1 C5 C6 120.7(4) . . ?
N2 C6 C5 117.3(4) . . ?
N2 C6 C7 123.3(4) . . ?
C5 C6 C7 119.4(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7C C7 H7B 109.5 . . ?
N3 C8 N4 114.3(4) . . ?
N3 C8 S1 128.5(3) . . ?
N4 C8 S1 117.2(3) . . ?
N4 C9 C10 109.5(5) . . ?
N4 C9 H9A 109.8 . . ?
C10 C9 H9A 109.8 . . ?
N4 C9 H9B 109.8 . . ?
C10 C9 H9B 109.8 . . ?
H9A C9 H9B 108.2 . . ?
O1 C10 C9 112.9(4) . . ?
O1 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
O1 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
O1 C11 C12 112.1(4) . . ?
O1 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
O1 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
N4 C12 C11 109.5(4) . . ?
N4 C12 H12A 109.8 . . ?
C11 C12 H12A 109.8 . . ?
N4 C12 H12B 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
N5 C13 C14 124.1(5) . . ?
N5 C13 H13 117.9 . . ?
C14 C13 H13 117.9 . . ?
C15 C14 C13 117.2(5) . . ?
C15 C14 H14 121.4 . . ?
C13 C14 H14 121.4 . . ?
C14 C15 C16 120.0(5) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 119.7(5) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
N5 C17 C16 121.8(4) . . ?
N5 C17 C18 117.0(4) . . ?
C16 C17 C18 121.1(4) . . ?
N6 C18 C17 116.3(4) . . ?
N6 C18 C19 122.8(4) . . ?
C17 C18 C19 120.8(4) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N7 C20 N8 114.1(4) . . ?
N7 C20 S2 127.0(4) . . ?
N8 C20 S2 118.9(3) . . ?
N8 C21 C22 109.8(4) . . ?
N8 C21 H21A 109.7 . . ?
C22 C21 H21A 109.7 . . ?
N8 C21 H21B 109.7 . . ?
C22 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
O2 C22 C21 110.1(4) . . ?
O2 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
O2 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.2 . . ?
O2 C23 C24 113.7(4) . . ?
O2 C23 H23A 108.8 . . ?
C24 C23 H23A 108.8 . . ?
O2 C23 H23B 108.8 . . ?
C24 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
N8 C24 C23 109.0(4) . . ?
N8 C24 H24A 109.9 . . ?
C23 C24 H24A 109.9 . . ?
N8 C24 H24B 109.9 . . ?
C23 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
C30 C25 C26 119.3(4) . . ?
C30 C25 P1 122.9(3) . . ?
C26 C25 P1 117.8(3) . . ?
C27 C26 C25 120.5(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C26 120.0(4) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 119.5(4) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.7(4) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C25 C30 C29 119.9(4) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C32 C31 C36 119.0(4) . . ?
C32 C31 P1 123.3(3) . . ?
C36 C31 P1 117.8(3) . . ?
C31 C32 C33 120.1(4) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C34 C33 C32 120.3(4) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 120.1(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 120.0(4) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.5(4) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
C38 C37 C42 118.6(4) . . ?
C38 C37 P1 124.0(3) . . ?
C42 C37 P1 117.4(3) . . ?
C39 C38 C37 120.2(4) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 C38 120.3(4) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.1(4) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 120.5(4) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 120.2(4) . . ?
C41 C42 H42 119.9 . . ?
C37 C42 H42 119.9 . . ?
C48 C43 C44 118.1(4) . . ?
C48 C43 P2 125.2(3) . . ?
C44 C43 P2 116.5(3) . . ?
C45 C44 C43 121.2(4) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C46 C45 C44 119.6(4) . . ?
C46 C45 H45 120.2 . . ?
C44 C45 H45 120.2 . . ?
C47 C46 C45 120.0(4) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.5(4) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C47 C48 C43 120.5(4) . . ?
C47 C48 H48 119.7 . . ?
C43 C48 H48 119.7 . . ?
C54 C49 C50 118.8(4) . . ?
C54 C49 P2 124.6(3) . . ?
C50 C49 P2 116.6(3) . . ?
C51 C50 C49 120.3(4) . . ?
C51 C50 H50 119.8 . . ?
C49 C50 H50 119.8 . . ?
C52 C51 C50 120.5(4) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 120.0(4) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C54 119.8(4) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C49 C54 C53 120.6(4) . . ?
C49 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C56 C55 C60 119.0(4) . . ?
C56 C55 P2 118.4(3) . . ?
C60 C55 P2 122.5(3) . . ?
C57 C56 C55 120.2(4) . . ?
C57 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
C58 C57 C56 120.4(4) . . ?
C58 C57 H57 119.8 . . ?
C56 C57 H57 119.8 . . ?
C59 C58 C57 119.9(4) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 120.3(4) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 H59 119.9 . . ?
C59 C60 C55 120.1(4) . . ?
C59 C60 H60 120.0 . . ?
C55 C60 H60 120.0 . . ?
N6 Ag1 N2 146.12(12) . . ?
N6 Ag1 S1 128.39(12) . . ?
N2 Ag1 S1 75.61(12) . . ?
N6 Ag1 N5 66.48(13) . . ?
N2 Ag1 N5 85.39(14) . . ?
S1 Ag1 N5 105.31(11) . . ?
N6 Ag1 S2 73.46(10) . . ?
N2 Ag1 S2 122.34(9) . . ?
S1 Ag1 S2 114.43(6) . . ?
N5 Ag1 S2 135.57(12) . . ?
N6 Ag1 Ag2 106.96(11) . . ?
N2 Ag1 Ag2 106.49(12) . . ?
S1 Ag1 Ag2 57.66(6) . . ?
N5 Ag1 Ag2 154.00(10) . . ?
S2 Ag1 Ag2 56.78(9) . . ?
N6 Ag1 N1 97.98(13) . . ?
N2 Ag1 N1 58.75(13) . . ?
S1 Ag1 N1 132.83(9) . . ?
N5 Ag1 N1 83.59(13) . . ?
S2 Ag1 N1 83.67(10) . . ?
Ag2 Ag1 N1 122.39(9) . . ?
P1 Ag2 P2 120.75(6) . . ?
P1 Ag2 S1 114.31(8) . . ?
P2 Ag2 S1 99.76(6) . . ?
P1 Ag2 S2 102.99(10) . . ?
P2 Ag2 S2 112.64(8) . . ?
S1 Ag2 S2 105.85(6) . . ?
P1 Ag2 Ag1 122.99(6) . . ?
P2 Ag2 Ag1 116.20(4) . . ?
S1 Ag2 Ag1 51.21(8) . . ?
S2 Ag2 Ag1 54.66(6) . . ?
C1 N1 C5 117.6(4) . . ?
C1 N1 Ag1 126.3(3) . . ?
C5 N1 Ag1 93.8(3) . . ?
C6 N2 N3 112.9(3) . . ?
C6 N2 Ag1 126.4(3) . . ?
N3 N2 Ag1 118.4(2) . . ?
C8 N3 N2 115.9(3) . . ?
C8 N4 C12 125.5(4) . . ?
C8 N4 C9 121.8(4) . . ?
C12 N4 C9 111.9(4) . . ?
C13 N5 C17 117.2(4) . . ?
C13 N5 Ag1 122.7(3) . . ?
C17 N5 Ag1 110.3(3) . . ?
C18 N6 N7 114.8(4) . . ?
C18 N6 Ag1 122.8(3) . . ?
N7 N6 Ag1 122.4(3) . . ?
C20 N7 N6 116.1(4) . . ?
C20 N8 C24 125.4(4) . . ?
C20 N8 C21 120.3(4) . . ?
C24 N8 C21 112.8(4) . . ?
C25 P1 C37 104.46(19) . . ?
C25 P1 C31 103.72(18) . . ?
C37 P1 C31 102.92(18) . . ?
C25 P1 Ag2 114.74(14) . . ?
C37 P1 Ag2 114.61(15) . . ?
C31 P1 Ag2 114.93(14) . . ?
C43 P2 C55 107.2(2) . . ?
C43 P2 C49 104.56(19) . . ?
C55 P2 C49 101.1(2) . . ?
C43 P2 Ag2 111.21(13) . . ?
C55 P2 Ag2 118.00(14) . . ?
C49 P2 Ag2 113.59(15) . . ?
C8 S1 Ag1 100.29(17) . . ?
C8 S1 Ag2 116.29(14) . . ?
Ag1 S1 Ag2 71.13(5) . . ?
C20 S2 Ag1 95.52(16) . . ?
C20 S2 Ag2 108.20(18) . . ?
Ag1 S2 Ag2 68.56(6) . . ?
C10 O1 C11 109.9(4) . . ?
C23 O2 C22 109.7(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.362(7) . ?
C1 N1 1.398(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.384(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.321(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.340(6) . ?
C4 H4 0.9500 . ?
C5 N1 1.400(6) . ?
C5 C6 1.473(6) . ?
C6 N2 1.300(5) . ?
C6 C7 1.500(6) . ?
C7 H7A 0.9800 . ?
C7 H7C 0.9800 . ?
C7 H7B 0.9800 . ?
C8 N3 1.318(5) . ?
C8 N4 1.359(6) . ?
C8 S1 1.752(4) . ?
C9 N4 1.465(6) . ?
C9 C10 1.480(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O1 1.390(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 O1 1.414(7) . ?
C11 C12 1.494(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N4 1.448(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 N5 1.341(6) . ?
C13 C14 1.377(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.366(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.366(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.371(6) . ?
C16 H16 0.9500 . ?
C17 N5 1.341(6) . ?
C17 C18 1.473(6) . ?
C18 N6 1.302(6) . ?
C18 C19 1.501(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 N7 1.318(6) . ?
C20 N8 1.356(6) . ?
C20 S2 1.750(5) . ?
C21 N8 1.472(6) . ?
C21 C22 1.493(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 O2 1.420(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 O2 1.410(6) . ?
C23 C24 1.506(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 N8 1.455(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C30 1.388(6) . ?
C25 C26 1.390(6) . ?
C25 P1 1.818(4) . ?
C26 C27 1.388(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.390(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.392(6) . ?
C31 C36 1.404(6) . ?
C31 P1 1.831(5) . ?
C32 C33 1.398(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.380(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.397(6) . ?
C37 C42 1.401(6) . ?
C37 P1 1.830(5) . ?
C38 C39 1.387(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.377(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.377(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.380(6) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.390(6) . ?
C43 C44 1.399(6) . ?
C43 P2 1.815(5) . ?
C44 C45 1.386(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.382(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.377(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(6) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.389(6) . ?
C49 C50 1.400(6) . ?
C49 P2 1.820(5) . ?
C50 C51 1.385(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.379(6) . ?
C51 H51 0.9500 . ?
C52 C53 1.384(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.396(6) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.389(6) . ?
C55 C60 1.401(6) . ?
C55 P2 1.818(4) . ?
C56 C57 1.383(6) . ?
C56 H56 0.9500 . ?
C57 C58 1.380(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.380(6) . ?
C58 H58 0.9500 . ?
C59 C60 1.384(6) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
Ag1 N6 2.355(5) . ?
Ag1 N2 2.462(4) . ?
Ag1 S1 2.481(3) . ?
Ag1 N5 2.588(5) . ?
Ag1 S2 2.640(3) . ?
Ag1 Ag2 3.012(3) . ?
Ag1 N1 3.186(5) . ?
Ag2 P1 2.470(2) . ?
Ag2 P2 2.481(2) . ?
Ag2 S1 2.690(3) . ?
Ag2 S2 2.707(4) . ?
N2 N3 1.384(5) . ?
N6 N7 1.360(5) . ?
