#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/51/1515103.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_1515103
loop_
_publ_author_name
'Lu, Zheng'
'Cramer, S. Alan'
'Jenkins, David M.'
_publ_section_title
;
 Exploiting a dimeric silver transmetallating reagent to synthesize
 macrocyclic tetracarbene complexes
;
_journal_issue                   10
_journal_name_full               'Chemical Science'
_journal_page_first              3081
_journal_paper_doi               10.1039/c2sc20628e
_journal_volume                  3
_journal_year                    2012
_chemical_formula_sum            'C68 H54 Ag3 Cl4 F3 N8 O3 S'
_chemical_formula_weight         1585.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.0400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.096(2)
_cell_length_b                   16.4589(12)
_cell_length_c                   26.678(3)
_cell_measurement_reflns_used    7401
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.56
_cell_measurement_theta_min      2.33
_cell_volume                     12580.1(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0771
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            66367
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    1.192
_exptl_absorpt_correction_T_max  0.9651
_exptl_absorpt_correction_T_min  0.9428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6352
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.888
_refine_diff_density_min         -1.626
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     811
_refine_ls_number_reflns         12877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0474
_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)+(0.1000P)²+0.1002P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1504
_reflns_number_gt                9094
_reflns_number_total             12877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2sc20628e.txt
_cod_data_source_block           13
_cod_original_cell_volume        12580(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1515103
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.099725(13) 0.16093(2) 0.188308(16) 0.02127(11) Uani 1 1 d .
Ag2 Ag 0.008094(13) 0.20020(2) 0.079573(17) 0.02447(11) Uani 1 1 d .
Ag3 Ag 0.010035(13) 0.12317(2) 0.196595(17) 0.02537(12) Uani 1 1 d .
Cl2 Cl -0.03966(4) 0.03077(8) 0.12393(6) 0.0293(3) Uani 1 1 d .
Cl1 Cl -0.04531(4) 0.27154(8) 0.09664(6) 0.0304(3) Uani 1 1 d .
S5 S 0.22831(5) 0.15153(9) 0.25927(6) 0.0334(3) Uani 1 1 d .
C1 C 0.09487(16) 0.0343(3) 0.1912(2) 0.0203(10) Uani 1 1 d .
C2 C 0.05848(18) 0.1415(3) 0.0671(2) 0.0233(11) Uani 1 1 d .
C3 C 0.09608(17) 0.2878(3) 0.1812(2) 0.0220(11) Uani 1 1 d .
C4 C 0.06521(17) 0.1829(3) 0.2671(2) 0.0220(11) Uani 1 1 d .
N8 N 0.10195(14) 0.1460(2) 0.31277(17) 0.0213(9) Uani 1 1 d .
N1 N 0.11023(13) -0.0107(2) 0.23929(17) 0.0204(9) Uani 1 1 d .
N4 N 0.09247(14) 0.1745(2) 0.05934(17) 0.0195(9) Uani 1 1 d .
N6 N 0.07294(14) 0.3420(2) 0.19580(17) 0.0200(9) Uani 1 1 d .
N5 N 0.10860(14) 0.3313(2) 0.14827(17) 0.0204(9) Uani 1 1 d .
N2 N 0.07055(14) -0.0189(2) 0.14768(17) 0.0196(8) Uani 1 1 d .
N7 N 0.07724(13) 0.2626(2) 0.27350(16) 0.0188(8) Uani 1 1 d .
N3 N 0.06738(14) 0.0602(2) 0.07025(17) 0.0205(9) Uani 1 1 d .
C12 C 0.13701(17) 0.2013(3) 0.3475(2) 0.0206(10) Uani 1 1 d .
C8 C 0.12138(17) 0.1147(3) 0.0568(2) 0.0206(10) Uani 1 1 d .
C9 C 0.09289(16) 0.4116(3) 0.1416(2) 0.0187(10) Uani 1 1 d .
C10 C 0.07043(16) 0.4180(3) 0.1717(2) 0.0188(10) Uani 1 1 d .
C11 C 0.12140(17) 0.2751(3) 0.3221(2) 0.0206(10) Uani 1 1 d .
C7 C 0.10652(17) 0.0435(3) 0.0652(2) 0.0198(10) Uani 1 1 d .
C6 C 0.07066(17) -0.0968(3) 0.1692(2) 0.0206(10) Uani 1 1 d .
C5 C 0.09542(18) -0.0908(3) 0.2270(2) 0.0235(11) Uani 1 1 d .
C13 C 0.04331(18) 0.0016(3) 0.0860(2) 0.0245(11) Uani 1 1 d .
H13A H 0.0376 -0.0483 0.0626 0.029 Uiso 1 1 calc R
H13B H 0.0127 0.0240 0.0772 0.029 Uiso 1 1 calc R
C16 C 0.05134(17) 0.3234(3) 0.2313(2) 0.0214(10) Uani 1 1 d .
H16A H 0.0501 0.3734 0.2511 0.026 Uiso 1 1 calc R
H16B H 0.0190 0.3042 0.2060 0.026 Uiso 1 1 calc R
C15 C 0.13347(17) 0.2962(3) 0.1209(2) 0.0235(11) Uani 1 1 d .
H15A H 0.1539 0.2519 0.1458 0.028 Uiso 1 1 calc R
H15B H 0.1536 0.3385 0.1184 0.028 Uiso 1 1 calc R
C17 C 0.13784(17) 0.0222(3) 0.2978(2) 0.0240(11) Uani 1 1 d .
H17A H 0.1589 0.0649 0.2977 0.029 Uiso 1 1 calc R
H17B H 0.1575 -0.0216 0.3241 0.029 Uiso 1 1 calc R
C14 C 0.10084(17) 0.2623(3) 0.0600(2) 0.0230(11) Uani 1 1 d .
H14A H 0.0705 0.2911 0.0431 0.028 Uiso 1 1 calc R
H14B H 0.1146 0.2736 0.0352 0.028 Uiso 1 1 calc R
C18 C 0.10768(18) 0.0585(3) 0.3212(2) 0.0268(11) Uani 1 1 d .
H18A H 0.0766 0.0323 0.3013 0.032 Uiso 1 1 calc R
H18B H 0.1223 0.0462 0.3630 0.032 Uiso 1 1 calc R
C19 C 0.10621(17) -0.1531(3) 0.2720(2) 0.0245(11) Uani 1 1 d .
C20 C 0.0865(2) -0.1514(3) 0.3067(3) 0.0362(14) Uani 1 1 d .
H20 H 0.0645 -0.1102 0.3011 0.043 Uiso 1 1 calc R
C23 C 0.1487(2) -0.2731(4) 0.3222(3) 0.0412(15) Uani 1 1 d .
H23 H 0.1700 -0.3154 0.3271 0.049 Uiso 1 1 calc R
C22 C 0.1286(2) -0.2693(4) 0.3570(3) 0.0388(14) Uani 1 1 d .
H22 H 0.1363 -0.3094 0.3860 0.047 Uiso 1 1 calc R
C24 C 0.1373(2) -0.2142(3) 0.2800(3) 0.0350(13) Uani 1 1 d .
H24 H 0.1511 -0.2161 0.2562 0.042 Uiso 1 1 calc R
C21 C 0.0983(2) -0.2092(4) 0.3501(3) 0.0445(16) Uani 1 1 d .
H21 H 0.0851 -0.2065 0.3746 0.053 Uiso 1 1 calc R
C25 C 0.04607(18) -0.1675(3) 0.1321(2) 0.0239(11) Uani 1 1 d .
C28 C 0.0711(2) -0.2260(3) 0.1211(2) 0.0327(13) Uani 1 1 d .
H28 H 0.1035 -0.2182 0.1353 0.039 Uiso 1 1 calc R
C29 C 0.0494(2) -0.2948(3) 0.0901(2) 0.0338(13) Uani 1 1 d .
H29 H 0.0667 -0.3341 0.0826 0.041 Uiso 1 1 calc R
C26 C -0.00115(19) -0.1786(3) 0.1107(2) 0.0295(12) Uani 1 1 d .
H26 H -0.0188 -0.1388 0.1172 0.035 Uiso 1 1 calc R
C27 C -0.0225(2) -0.2486(3) 0.0795(2) 0.0305(12) Uani 1 1 d .
H27 H -0.0550 -0.2565 0.0647 0.037 Uiso 1 1 calc R
C35 C 0.10947(18) -0.0995(3) 0.0331(2) 0.0250(11) Uani 1 1 d .
H35 H 0.0826 -0.0890 -0.0034 0.030 Uiso 1 1 calc R
C30 C 0.12708(17) -0.0391(3) 0.0750(2) 0.0218(10) Uani 1 1 d .
C31 C 0.16672(18) -0.0549(3) 0.1279(2) 0.0276(12) Uani 1 1 d .
H31 H 0.1794 -0.0137 0.1567 0.033 Uiso 1 1 calc R
C32 C 0.18799(19) -0.1308(3) 0.1390(2) 0.0300(12) Uani 1 1 d .
H32 H 0.2149 -0.1414 0.1754 0.036 Uiso 1 1 calc R
C33 C 0.17019(19) -0.1902(3) 0.0974(2) 0.0297(12) Uani 1 1 d .
H33 H 0.1849 -0.2419 0.1050 0.036 Uiso 1 1 calc R
C34 C 0.13084(19) -0.1751(3) 0.0443(2) 0.0301(12) Uani 1 1 d .
H34 H 0.1185 -0.2164 0.0156 0.036 Uiso 1 1 calc R
C41 C 0.19608(19) 0.1791(3) 0.0721(2) 0.0269(12) Uani 1 1 d .
H41 H 0.2003 0.2053 0.1061 0.032 Uiso 1 1 calc R
C36 C 0.15753(17) 0.1293(3) 0.0405(2) 0.0207(10) Uani 1 1 d .
C39 C 0.22253(19) 0.1525(3) 0.0058(2) 0.0304(12) Uani 1 1 d .
H39 H 0.2449 0.1603 -0.0062 0.036 Uiso 1 1 calc R
C40 C 0.22814(19) 0.1908(3) 0.0542(2) 0.0299(12) Uani 1 1 d .
H40 H 0.2542 0.2255 0.0756 0.036 Uiso 1 1 calc R
C37 C 0.15221(19) 0.0903(3) -0.0088(2) 0.0310(12) Uani 1 1 d .
H37 H 0.1263 0.0555 -0.0306 0.037 Uiso 1 1 calc R
C38 C 0.1848(2) 0.1027(4) -0.0258(3) 0.0389(14) Uani 1 1 d .
H38 H 0.1812 0.0765 -0.0595 0.047 Uiso 1 1 calc R
C42 C 0.06424(18) 0.4811(3) 0.0474(2) 0.0238(11) Uani 1 1 d .
H42 H 0.0362 0.4507 0.0331 0.029 Uiso 1 1 calc R
C45 C 0.14434(19) 0.5721(3) 0.0891(2) 0.0303(12) Uani 1 1 d .
H45 H 0.1718 0.6042 0.1036 0.036 Uiso 1 1 calc R
C47 C 0.09935(17) 0.4707(3) 0.1039(2) 0.0203(10) Uani 1 1 d .
C46 C 0.13961(19) 0.5169(3) 0.1248(2) 0.0268(11) Uani 1 1 d .
H46 H 0.1640 0.5106 0.1637 0.032 Uiso 1 1 calc R
C44 C 0.1086(2) 0.5810(3) 0.0314(2) 0.0284(12) Uani 1 1 d .
H44 H 0.1120 0.6186 0.0068 0.034 Uiso 1 1 calc R
C43 C 0.0691(2) 0.5357(3) 0.0108(2) 0.0289(12) Uani 1 1 d .
H43 H 0.0450 0.5411 -0.0284 0.035 Uiso 1 1 calc R
C49 C -0.00087(17) 0.4853(3) 0.1609(2) 0.0272(12) Uani 1 1 d .
H49 H -0.0178 0.4368 0.1437 0.033 Uiso 1 1 calc R
C48 C 0.04648(17) 0.4884(3) 0.1797(2) 0.0221(10) Uani 1 1 d .
C53 C 0.07046(19) 0.5599(3) 0.2041(2) 0.0267(11) Uani 1 1 d .
H53 H 0.1029 0.5638 0.2171 0.032 Uiso 1 1 calc R
C50 C -0.0237(2) 0.5517(4) 0.1668(3) 0.0376(14) Uani 1 1 d .
H50 H -0.0560 0.5483 0.1544 0.045 Uiso 1 1 calc R
C52 C 0.0464(2) 0.6265(3) 0.2094(2) 0.0340(13) Uani 1 1 d .
H52 H 0.0627 0.6754 0.2265 0.041 Uiso 1 1 calc R
C51 C 0.0000(2) 0.6218(3) 0.1902(2) 0.0336(14) Uani 1 1 d .
H51 H -0.0160 0.6679 0.1931 0.040 Uiso 1 1 calc R
C56 C 0.17925(19) 0.3774(3) 0.3295(2) 0.0276(12) Uani 1 1 d .
H56 H 0.1900 0.3395 0.3119 0.033 Uiso 1 1 calc R
C54 C 0.14312(17) 0.3568(3) 0.3388(2) 0.0232(11) Uani 1 1 d .
C58 C 0.1848(2) 0.5072(4) 0.3725(3) 0.0433(16) Uani 1 1 d .
H58 H 0.1996 0.5586 0.3849 0.052 Uiso 1 1 calc R
C57 C 0.1488(2) 0.4878(4) 0.3814(3) 0.0392(15) Uani 1 1 d .
H57 H 0.1382 0.5262 0.3988 0.047 Uiso 1 1 calc R
C55 C 0.12771(19) 0.4120(3) 0.3649(2) 0.0317(13) Uani 1 1 d .
H55 H 0.1029 0.3980 0.3715 0.038 Uiso 1 1 calc R
C62 C 0.25774(19) 0.1343(3) 0.5051(2) 0.0309(12) Uani 1 1 d .
H62 H 0.2847 0.1203 0.5406 0.037 Uiso 1 1 calc R
C61 C 0.2136(2) 0.1232(3) 0.4980(2) 0.0310(13) Uani 1 1 d .
H61 H 0.2103 0.1000 0.5284 0.037 Uiso 1 1 calc R
C63 C 0.26219(19) 0.1659(3) 0.4598(2) 0.0286(12) Uani 1 1 d .
H63 H 0.2923 0.1719 0.4642 0.034 Uiso 1 1 calc R
C59 C 0.17921(17) 0.1780(3) 0.4016(2) 0.0217(11) Uani 1 1 d .
C60 C 0.17453(19) 0.1460(3) 0.4468(2) 0.0277(12) Uani 1 1 d .
H60 H 0.1444 0.1398 0.4424 0.033 Uiso 1 1 calc R
C64 C 0.22337(18) 0.1887(3) 0.4086(2) 0.0243(11) Uani 1 1 d .
H64 H 0.2268 0.2117 0.3783 0.029 Uiso 1 1 calc R
C65 C 0.2772(2) 0.1676(4) 0.2485(2) 0.0334(13) Uani 1 1 d .
F3 F 0.31607(12) 0.1876(2) 0.29700(15) 0.0454(9) Uani 1 1 d .
F1 F 0.26820(13) 0.2283(2) 0.21098(15) 0.0533(10) Uani 1 1 d .
F2 F 0.28701(14) 0.1020(2) 0.22789(18) 0.0598(11) Uani 1 1 d .
O1 O 0.19150(13) 0.1314(2) 0.20186(17) 0.0361(9) Uani 1 1 d .
O2 O 0.22313(16) 0.2281(3) 0.2803(2) 0.0543(12) Uani 1 1 d .
O3 O 0.24386(16) 0.0870(3) 0.3016(2) 0.0584(14) Uani 1 1 d .
C66 C 0.0028(2) -0.3067(3) 0.0700(2) 0.0339(13) Uani 1 1 d .
H66 H -0.0121 -0.3549 0.0495 0.041 Uiso 1 1 calc R
C67 C 0.1999(2) 0.4534(3) 0.3459(3) 0.0375(14) Uani 1 1 d .
H67 H 0.2243 0.4682 0.3388 0.045 Uiso 1 1 calc R
C68 C 0.2283(3) 0.4506(5) 0.0810(5) 0.089(3) Uani 1 1 d .
H68A H 0.2471 0.4717 0.0643 0.106 Uiso 1 1 calc R
H68B H 0.2209 0.4970 0.0985 0.106 Uiso 1 1 calc R
Cl3 Cl 0.17319(9) 0.40895(14) 0.02174(11) 0.0815(7) Uani 1 1 d .
Cl4 Cl 0.25918(9) 0.38739(13) 0.13066(12) 0.0884(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'
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Ag1 C3 173.29(18) . .
C1 Ag1 Ag2 100.86(13) . .
C3 Ag1 Ag2 73.54(13) . .
C1 Ag1 Ag3 73.06(13) . .
C3 Ag1 Ag3 100.93(14) . .
Ag2 Ag1 Ag3 65.362(14) . .
C2 Ag2 Cl1 176.79(14) . .
C2 Ag2 Ag1 63.85(14) . .
Cl1 Ag2 Ag1 114.19(4) . .
C2 Ag2 Ag3 109.22(14) . .
Cl1 Ag2 Ag3 70.90(4) . .
Ag1 Ag2 Ag3 58.911(13) . .
C4 Ag3 Cl2 166.71(14) . .
C4 Ag3 Ag1 62.75(13) . .
Cl2 Ag3 Ag1 111.29(3) . .
C4 Ag3 Ag3 71.36(13) . 2
Cl2 Ag3 Ag3 110.93(3) . 2
Ag1 Ag3 Ag3 132.76(2) . 2
C4 Ag3 Ag2 105.14(13) . .
Cl2 Ag3 Ag2 78.33(4) . .
Ag1 Ag3 Ag2 55.727(11) . .
Ag3 Ag3 Ag2 155.135(13) 2 .
O2 S5 O1 114.7(3) . .
O2 S5 O3 114.1(3) . .
O1 S5 O3 116.3(3) . .
O2 S5 C65 103.2(3) . .
O1 S5 C65 102.4(3) . .
O3 S5 C65 103.6(3) . .
N1 C1 N2 104.0(4) . .
N1 C1 Ag1 125.8(3) . .
N2 C1 Ag1 129.6(3) . .
N4 C2 N3 103.4(4) . .
N4 C2 Ag2 128.9(3) . .
N3 C2 Ag2 127.4(4) . .
N5 C3 N6 103.9(4) . .
N5 C3 Ag1 124.4(3) . .
N6 C3 Ag1 130.2(4) . .
N7 C4 N8 104.1(4) . .
N7 C4 Ag3 129.4(4) . .
N8 C4 Ag3 125.6(4) . .
C4 N8 C12 112.1(4) . .
C4 N8 C18 124.7(4) . .
C12 N8 C18 122.7(4) . .
C1 N1 C5 112.3(4) . .
C1 N1 C17 123.5(4) . .
C5 N1 C17 124.2(4) . .
C2 N4 C8 111.5(4) . .
C2 N4 C14 123.9(4) . .
C8 N4 C14 124.3(4) . .
C3 N6 C10 111.8(4) . .
C3 N6 C16 125.0(4) . .
C10 N6 C16 123.2(4) . .
C3 N5 C9 111.6(4) . .
C3 N5 C15 123.2(4) . .
C9 N5 C15 125.1(4) . .
C1 N2 C6 111.2(4) . .
C1 N2 C13 125.6(4) . .
C6 N2 C13 122.9(4) . .
C4 N7 C11 111.3(4) . .
C4 N7 C16 123.8(4) . .
C11 N7 C16 124.3(4) . .
C2 N3 C7 111.7(4) . .
C2 N3 C13 122.7(4) . .
C7 N3 C13 124.9(4) . .
C11 C12 N8 105.6(4) . .
C11 C12 C59 131.1(4) . .
N8 C12 C59 123.1(4) . .
C7 C8 N4 107.0(4) . .
C7 C8 C36 127.7(4) . .
N4 C8 C36 124.9(4) . .
C10 C9 N5 106.2(4) . .
C10 C9 C47 131.4(4) . .
N5 C9 C47 122.2(4) . .
C9 C10 N6 106.5(4) . .
C9 C10 C48 130.1(4) . .
N6 C10 C48 123.4(4) . .
C12 C11 N7 106.8(4) . .
C12 C11 C54 130.8(5) . .
N7 C11 C54 122.3(4) . .
C8 C7 N3 106.4(4) . .
C8 C7 C30 131.3(5) . .
N3 C7 C30 122.0(4) . .
C5 C6 N2 106.1(4) . .
C5 C6 C25 130.1(4) . .
N2 C6 C25 123.8(4) . .
C6 C5 N1 106.4(4) . .
C6 C5 C19 130.0(5) . .
N1 C5 C19 123.6(5) . .
N3 C13 N2 111.2(4) . .
N3 C13 H13A 109.4 . .
N2 C13 H13A 109.4 . .
N3 C13 H13B 109.4 . .
N2 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
N7 C16 N6 111.0(4) . .
N7 C16 H16A 109.4 . .
N6 C16 H16A 109.4 . .
N7 C16 H16B 109.4 . .
N6 C16 H16B 109.4 . .
H16A C16 H16B 108.0 . .
N5 C15 C14 113.4(4) . .
N5 C15 H15A 108.9 . .
C14 C15 H15A 108.9 . .
N5 C15 H15B 108.9 . .
C14 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
N1 C17 C18 113.0(4) . .
N1 C17 H17A 109.0 . .
C18 C17 H17A 109.0 . .
N1 C17 H17B 109.0 . .
C18 C17 H17B 109.0 . .
H17A C17 H17B 107.8 . .
N4 C14 C15 113.5(4) . .
N4 C14 H14A 108.9 . .
C15 C14 H14A 108.9 . .
N4 C14 H14B 108.9 . .
C15 C14 H14B 108.9 . .
H14A C14 H14B 107.7 . .
N8 C18 C17 112.5(4) . .
N8 C18 H18A 109.1 . .
C17 C18 H18A 109.1 . .
N8 C18 H18B 109.1 . .
C17 C18 H18B 109.1 . .
H18A C18 H18B 107.8 . .
C20 C19 C24 118.6(5) . .
C20 C19 C5 122.0(5) . .
C24 C19 C5 119.4(5) . .
C19 C20 C21 121.1(5) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C24 C23 C22 118.9(6) . .
C24 C23 H23 120.5 . .
C22 C23 H23 120.5 . .
C21 C22 C23 120.9(6) . .
C21 C22 H22 119.5 . .
C23 C22 H22 119.5 . .
C19 C24 C23 121.1(6) . .
C19 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
C22 C21 C20 119.3(6) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
C26 C25 C28 119.4(5) . .
C26 C25 C6 120.7(5) . .
C28 C25 C6 119.8(5) . .
C29 C28 C25 120.6(5) . .
C29 C28 H28 119.7 . .
C25 C28 H28 119.7 . .
C66 C29 C28 119.9(5) . .
C66 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C25 C26 C27 119.3(5) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C66 C27 C26 120.8(5) . .
C66 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C30 C35 C34 120.4(5) . .
C30 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C35 C30 C31 119.1(5) . .
C35 C30 C7 122.9(5) . .
C31 C30 C7 117.9(4) . .
C30 C31 C32 120.3(5) . .
C30 C31 H31 119.8 . .
C32 C31 H31 119.8 . .
C33 C32 C31 120.1(5) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C32 C33 C34 120.1(5) . .
C32 C33 H33 119.9 . .
C34 C33 H33 119.9 . .
C33 C34 C35 119.9(5) . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C40 C41 C36 120.4(5) . .
C40 C41 H41 119.8 . .
C36 C41 H41 119.8 . .
C41 C36 C37 119.1(5) . .
C41 C36 C8 123.3(4) . .
C37 C36 C8 117.6(4) . .
C40 C39 C38 120.5(5) . .
C40 C39 H39 119.7 . .
C38 C39 H39 119.7 . .
C39 C40 C41 120.0(5) . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C38 C37 C36 119.5(5) . .
C38 C37 H37 120.3 . .
C36 C37 H37 120.3 . .
C39 C38 C37 120.5(5) . .
C39 C38 H38 119.8 . .
C37 C38 H38 119.8 . .
C47 C42 C43 121.1(5) . .
C47 C42 H42 119.4 . .
C43 C42 H42 119.4 . .
C46 C45 C44 120.0(5) . .
C46 C45 H45 120.0 . .
C44 C45 H45 120.0 . .
C42 C47 C46 119.0(5) . .
C42 C47 C9 119.5(4) . .
C46 C47 C9 121.4(4) . .
C45 C46 C47 120.2(5) . .
C45 C46 H46 119.9 . .
C47 C46 H46 119.9 . .
C43 C44 C45 120.0(5) . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C43 C42 119.7(5) . .
C44 C43 H43 120.2 . .
C42 C43 H43 120.2 . .
C50 C49 C48 120.9(5) . .
C50 C49 H49 119.6 . .
C48 C49 H49 119.6 . .
C53 C48 C49 118.6(5) . .
C53 C48 C10 120.7(5) . .
C49 C48 C10 120.6(4) . .
C48 C53 C52 119.3(5) . .
C48 C53 H53 120.3 . .
C52 C53 H53 120.3 . .
C51 C50 C49 120.0(5) . .
C51 C50 H50 120.0 . .
C49 C50 H50 120.0 . .
C51 C52 C53 120.7(5) . .
C51 C52 H52 119.6 . .
C53 C52 H52 119.6 . .
C52 C51 C50 120.4(5) . .
C52 C51 H51 119.8 . .
C50 C51 H51 119.8 . .
C54 C56 C67 120.0(5) . .
C54 C56 H56 120.0 . .
C67 C56 H56 120.0 . .
C56 C54 C55 119.9(5) . .
C56 C54 C11 120.1(5) . .
C55 C54 C11 119.9(5) . .
C57 C58 C67 120.9(6) . .
C57 C58 H58 119.6 . .
C67 C58 H58 119.6 . .
C58 C57 C55 120.0(6) . .
C58 C57 H57 120.0 . .
C55 C57 H57 120.0 . .
C54 C55 C57 119.6(6) . .
C54 C55 H55 120.2 . .
C57 C55 H55 120.2 . .
C61 C62 C63 119.6(5) . .
C61 C62 H62 120.2 . .
C63 C62 H62 120.2 . .
C60 C61 C62 119.9(5) . .
C60 C61 H61 120.0 . .
C62 C61 H61 120.0 . .
C64 C63 C62 120.8(5) . .
C64 C63 H63 119.6 . .
C62 C63 H63 119.6 . .
C64 C59 C60 119.8(5) . .
C64 C59 C12 121.1(4) . .
C60 C59 C12 119.1(5) . .
C61 C60 C59 120.2(5) . .
C61 C60 H60 119.9 . .
C59 C60 H60 119.9 . .
C63 C64 C59 119.7(5) . .
C63 C64 H64 120.2 . .
C59 C64 H64 120.2 . .
F2 C65 F3 106.7(5) . .
F2 C65 F1 107.8(5) . .
F3 C65 F1 106.7(5) . .
F2 C65 S5 112.0(4) . .
F3 C65 S5 113.0(4) . .
F1 C65 S5 110.4(4) . .
C29 C66 C27 120.0(5) . .
C29 C66 H66 120.0 . .
C27 C66 H66 120.0 . .
C58 C67 C56 119.6(6) . .
C58 C67 H67 120.2 . .
C56 C67 H67 120.2 . .
Cl4 C68 Cl3 114.7(4) . .
Cl4 C68 H68A 108.6 . .
Cl3 C68 H68A 108.6 . .
Cl4 C68 H68B 108.6 . .
Cl3 C68 H68B 108.6 . .
H68A C68 H68B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.095(5) .
Ag1 C3 2.095(5) .
Ag1 Ag2 3.0367(6) .
Ag1 Ag3 3.1470(6) .
Ag2 C2 2.092(5) .
Ag2 Cl1 2.3485(13) .
Ag2 Ag3 3.3403(7) .
Ag3 C4 2.097(5) .
Ag3 Cl2 2.3630(13) .
Ag3 Ag3 3.2335(8) 2
S5 O2 1.425(4) .
S5 O1 1.439(4) .
S5 O3 1.444(5) .
S5 C65 1.798(6) .
C1 N1 1.342(6) .
C1 N2 1.351(6) .
C2 N4 1.355(6) .
C2 N3 1.365(6) .
C3 N5 1.349(6) .
C3 N6 1.354(6) .
C4 N7 1.357(6) .
C4 N8 1.359(6) .
N8 C12 1.398(6) .
N8 C18 1.456(6) .
N1 C5 1.387(6) .
N1 C17 1.462(6) .
N4 C8 1.398(6) .
N4 C14 1.469(6) .
N6 C10 1.389(6) .
N6 C16 1.477(6) .
N5 C9 1.399(6) .
N5 C15 1.464(6) .
N2 C6 1.405(6) .
N2 C13 1.466(6) .
N7 C11 1.401(6) .
N7 C16 1.427(6) .
N3 C7 1.395(6) .
N3 C13 1.440(6) .
C12 C11 1.360(7) .
C12 C59 1.471(7) .
C8 C7 1.333(7) .
C8 C36 1.483(7) .
C9 C10 1.343(7) .
C9 C47 1.489(6) .
C10 C48 1.479(7) .
C11 C54 1.485(7) .
C7 C30 1.483(7) .
C6 C5 1.341(7) .
C6 C25 1.480(7) .
C5 C19 1.479(7) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C15 C14 1.537(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C17 C18 1.538(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.374(8) .
C19 C24 1.377(7) .
C20 C21 1.394(8) .
C20 H20 0.9500 .
C23 C24 1.386(8) .
C23 C22 1.387(8) .
C23 H23 0.9500 .
C22 C21 1.357(9) .
C22 H22 0.9500 .
C24 H24 0.9500 .
C21 H21 0.9500 .
C25 C26 1.382(7) .
C25 C28 1.394(7) .
C28 C29 1.375(7) .
C28 H28 0.9500 .
C29 C66 1.372(8) .
C29 H29 0.9500 .
C26 C27 1.389(7) .
C26 H26 0.9500 .
C27 C66 1.376(8) .
C27 H27 0.9500 .
C35 C30 1.388(7) .
C35 C34 1.388(7) .
C35 H35 0.9500 .
C30 C31 1.388(7) .
C31 C32 1.391(7) .
C31 H31 0.9500 .
C32 C33 1.372(8) .
C32 H32 0.9500 .
C33 C34 1.384(8) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C41 C40 1.376(7) .
C41 C36 1.391(7) .
C41 H41 0.9500 .
C36 C37 1.395(7) .
C39 C40 1.364(7) .
C39 C38 1.373(8) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C37 C38 1.378(7) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C42 C47 1.379(7) .
C42 C43 1.394(7) .
C42 H42 0.9500 .
C45 C46 1.381(7) .
C45 C44 1.402(8) .
C45 H45 0.9500 .
C47 C46 1.386(7) .
C46 H46 0.9500 .
C44 C43 1.358(8) .
C44 H44 0.9500 .
C43 H43 0.9500 .
C49 C50 1.382(7) .
C49 C48 1.387(7) .
C49 H49 0.9500 .
C48 C53 1.386(7) .
C53 C52 1.404(7) .
C53 H53 0.9500 .
C50 C51 1.360(8) .
C50 H50 0.9500 .
C52 C51 1.354(8) .
C52 H52 0.9500 .
C51 H51 0.9500 .
C56 C54 1.379(7) .
C56 C67 1.386(7) .
C56 H56 0.9500 .
C54 C55 1.387(7) .
C58 C57 1.361(9) .
C58 C67 1.378(9) .
C58 H58 0.9500 .
C57 C55 1.390(8) .
C57 H57 0.9500 .
C55 H55 0.9500 .
C62 C61 1.388(8) .
C62 C63 1.389(8) .
C62 H62 0.9500 .
C61 C60 1.382(7) .
C61 H61 0.9500 .
C63 C64 1.378(7) .
C63 H63 0.9500 .
C59 C64 1.389(7) .
C59 C60 1.394(7) .
C60 H60 0.9500 .
C64 H64 0.9500 .
C65 F2 1.324(7) .
C65 F3 1.331(6) .
C65 F1 1.339(6) .
C66 H66 0.9500 .
C67 H67 0.9500 .
C68 Cl4 1.590(11) .
C68 Cl3 1.846(9) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
