#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:57:02 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178830 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/84/4108406.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_4108406
loop_
_publ_author_name
'Chien-Tien Chen'
'Ya-Hui Lin'
'Ting-Shen Kuo'
_publ_section_title
;
 Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric
 Metal(I) Vanadate-Centered Quadruplexes: Synergistic K+- and Ag+-specific
 Transport
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12842
_journal_page_last               12843
_journal_paper_doi               10.1021/ja8051552
_journal_volume                  130
_journal_year                    2008
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C214 H243 Ag3 B0 Cl24 N41 O63 V15'
_chemical_formula_sum            'C214 H243 Ag3 B0 Cl24 N41 O63 V15'
_chemical_formula_weight         6336.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 103.58
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.2100(2)
_cell_length_b                   15.5020(2)
_cell_length_c                   38.3290(4)
_cell_measurement_reflns_used    48230
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.037
_cell_volume                     14560.4(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'HKL Denzo and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            28987
_diffrn_reflns_theta_full        25.29
_diffrn_reflns_theta_max         25.29
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.948
_exptl_absorpt_correction_T_max  0.9184
_exptl_absorpt_correction_T_min  0.8059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
? 1 ?
2Ag-7931
?
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       prism
_exptl_crystal_F_000             6424
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.141
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.024(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1619
_refine_ls_number_reflns         19226
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1050P)²+4.8889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1296
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                17348
_reflns_number_total             19226
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8051552_si_002_4.cif
_cod_data_source_block           7931
_cod_original_cell_volume        14560.3(3)
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4108406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
C1 C 0.5763(3) 0.4298(5) 0.57173(18) 0.0359(15) Uani 1 1 d .
C2 C 0.6218(3) 0.4835(5) 0.5729(2) 0.0455(18) Uani 1 1 d .
C3 C 0.6151(4) 0.5686(6) 0.5631(2) 0.062(2) Uani 1 1 d .
H3 H 0.6453 0.6039 0.5643 0.075 Uiso 1 1 calc R
C4 C 0.5636(4) 0.6011(6) 0.5517(3) 0.061(2) Uani 1 1 d .
C5 C 0.5179(3) 0.5514(5) 0.5487(2) 0.0479(18) Uani 1 1 d .
H5 H 0.4835 0.5752 0.5400 0.058 Uiso 1 1 calc R
C6 C 0.5234(3) 0.4662(5) 0.55842(18) 0.0378(15) Uani 1 1 d .
C7 C 0.4752(2) 0.4132(5) 0.55586(17) 0.0357(15) Uani 1 1 d .
H7 H 0.4416 0.4385 0.5461 0.043 Uiso 1 1 calc R
C8 C 0.4212(3) 0.2926(5) 0.56337(19) 0.0393(16) Uani 1 1 d .
H8 H 0.3949 0.3383 0.5647 0.047 Uiso 1 1 calc R
C9 C 0.3991(3) 0.2419(6) 0.52797(18) 0.049(2) Uani 1 1 d .
C10 C 0.4327(4) 0.1592(7) 0.5261(3) 0.072(3) Uani 1 1 d .
H10A H 0.4321 0.1231 0.5463 0.108 Uiso 1 1 calc R
H10B H 0.4697 0.1747 0.5264 0.108 Uiso 1 1 calc R
H10C H 0.4170 0.1286 0.5043 0.108 Uiso 1 1 calc R
C11 C 0.4005(4) 0.2964(7) 0.4961(2) 0.070(3) Uani 1 1 d .
H11A H 0.4374 0.3135 0.4971 0.105 Uiso 1 1 calc R
H11B H 0.3784 0.3468 0.4962 0.105 Uiso 1 1 calc R
H11C H 0.3866 0.2640 0.4746 0.105 Uiso 1 1 calc R
C12 C 0.3407(3) 0.2158(8) 0.5264(2) 0.083(4) Uani 1 1 d .
H12A H 0.3396 0.1805 0.5467 0.124 Uiso 1 1 calc R
H12B H 0.3265 0.1838 0.5047 0.124 Uiso 1 1 calc R
H12C H 0.3189 0.2665 0.5266 0.124 Uiso 1 1 calc R
C13 C 0.4283(3) 0.2377(5) 0.59719(19) 0.0382(16) Uani 1 1 d .
C14 C 0.5470(2) 0.5887(4) 0.69051(19) 0.0347(15) Uani 1 1 d .
C15 C 0.5953(3) 0.6351(4) 0.6902(2) 0.0428(17) Uani 1 1 d .
C16 C 0.6240(3) 0.6758(5) 0.7209(2) 0.051(2) Uani 1 1 d .
H16 H 0.6558 0.7058 0.7205 0.061 Uiso 1 1 calc R
C17 C 0.6055(3) 0.6722(5) 0.7523(2) 0.0487(19) Uani 1 1 d .
C18 C 0.5578(3) 0.6289(5) 0.7531(2) 0.0443(17) Uani 1 1 d .
H18 H 0.5452 0.6278 0.7740 0.053 Uiso 1 1 calc R
C19 C 0.5286(2) 0.5866(4) 0.72214(19) 0.0349(15) Uani 1 1 d .
C20 C 0.4789(2) 0.5423(5) 0.72401(19) 0.0360(15) Uani 1 1 d .
H20 H 0.4663 0.5482 0.7448 0.043 Uiso 1 1 calc R
C21 C 0.4034(2) 0.4471(4) 0.70547(18) 0.0335(14) Uani 1 1 d .
H21 H 0.4103 0.4376 0.7314 0.040 Uiso 1 1 calc R
C22 C 0.3479(3) 0.4975(5) 0.6938(2) 0.0443(18) Uani 1 1 d .
C23 C 0.3532(3) 0.5854(6) 0.7130(2) 0.058(2) Uani 1 1 d .
H23A H 0.3624 0.5764 0.7385 0.087 Uiso 1 1 calc R
H23B H 0.3191 0.6158 0.7063 0.087 Uiso 1 1 calc R
H23C H 0.3813 0.6187 0.7063 0.087 Uiso 1 1 calc R
C24 C 0.3034(3) 0.4454(6) 0.7059(3) 0.058(2) Uani 1 1 d .
H24A H 0.3135 0.4381 0.7315 0.087 Uiso 1 1 calc R
H24B H 0.2996 0.3899 0.6945 0.087 Uiso 1 1 calc R
H24C H 0.2693 0.4758 0.6994 0.087 Uiso 1 1 calc R
C25 C 0.3327(3) 0.5102(6) 0.6530(2) 0.057(2) Uani 1 1 d .
H25A H 0.3295 0.4550 0.6414 0.086 Uiso 1 1 calc R
H25B H 0.3606 0.5433 0.6459 0.086 Uiso 1 1 calc R
H25C H 0.2986 0.5403 0.6462 0.086 Uiso 1 1 calc R
C26 C 0.4048(2) 0.3598(4) 0.68796(18) 0.0355(15) Uani 1 1 d .
C27 C 0.6753(2) 0.3482(4) 0.77633(17) 0.0289(13) Uani 1 1 d .
C28 C 0.7198(2) 0.4020(4) 0.77521(18) 0.0336(14) Uani 1 1 d .
C29 C 0.7722(2) 0.3675(5) 0.78016(18) 0.0390(16) Uani 1 1 d .
H29 H 0.8015 0.4027 0.7786 0.047 Uiso 1 1 calc R
C30 C 0.7801(2) 0.2790(4) 0.78755(17) 0.0323(14) Uani 1 1 d .
C31 C 0.7376(2) 0.2247(5) 0.78998(17) 0.0339(14) Uani 1 1 d .
H31 H 0.7440 0.1665 0.7951 0.041 Uiso 1 1 calc R
C32 C 0.6845(2) 0.2590(4) 0.78451(16) 0.0279(13) Uani 1 1 d .
C33 C 0.6398(2) 0.2031(4) 0.78642(16) 0.0292(13) Uani 1 1 d .
H33 H 0.6484 0.1476 0.7952 0.035 Uiso 1 1 calc R
C34 C 0.5486(2) 0.1534(4) 0.77664(15) 0.0244(12) Uani 1 1 d .
H34 H 0.5657 0.0985 0.7729 0.029 Uiso 1 1 calc R
C35 C 0.5277(2) 0.1455(4) 0.81210(16) 0.0302(13) Uani 1 1 d .
C36 C 0.5774(3) 0.1348(5) 0.84365(18) 0.0413(16) Uani 1 1 d .
H36A H 0.5971 0.0837 0.8401 0.062 Uiso 1 1 calc R
H36B H 0.5654 0.1297 0.8656 0.062 Uiso 1 1 calc R
H36C H 0.6008 0.1841 0.8450 0.062 Uiso 1 1 calc R
C37 C 0.4913(3) 0.0661(5) 0.8094(2) 0.0451(18) Uani 1 1 d .
H37A H 0.5116 0.0157 0.8059 0.068 Uiso 1 1 calc R
H37B H 0.4604 0.0725 0.7895 0.068 Uiso 1 1 calc R
H37C H 0.4791 0.0599 0.8312 0.068 Uiso 1 1 calc R
C38 C 0.4960(3) 0.2279(5) 0.81766(18) 0.0391(16) Uani 1 1 d .
H38A H 0.4650 0.2347 0.7978 0.059 Uiso 1 1 calc R
H38B H 0.5194 0.2772 0.8191 0.059 Uiso 1 1 calc R
H38C H 0.4839 0.2228 0.8395 0.059 Uiso 1 1 calc R
C39 C 0.5031(2) 0.1716(4) 0.74350(16) 0.0276(13) Uani 1 1 d .
C40 C 0.7117(2) 0.1968(4) 0.65436(18) 0.0311(14) Uani 1 1 d .
C41 C 0.7571(2) 0.2506(5) 0.65416(19) 0.0365(15) Uani 1 1 d .
C42 C 0.7784(3) 0.2582(5) 0.6249(2) 0.0448(17) Uani 1 1 d .
H42 H 0.8086 0.2935 0.6258 0.054 Uiso 1 1 calc R
C43 C 0.7552(3) 0.2128(6) 0.5931(2) 0.0496(19) Uani 1 1 d .
C44 C 0.7112(2) 0.1590(5) 0.59163(19) 0.0406(16) Uani 1 1 d .
H44 H 0.6962 0.1288 0.5707 0.049 Uiso 1 1 calc R
C45 C 0.6890(2) 0.1500(4) 0.62202(16) 0.0296(13) Uani 1 1 d .
C46 C 0.6441(2) 0.0905(4) 0.62014(17) 0.0297(13) Uani 1 1 d .
H46 H 0.6324 0.0589 0.5991 0.036 Uiso 1 1 calc R
C47 C 0.5723(2) 0.0185(4) 0.63848(18) 0.0311(14) Uani 1 1 d .
H47 H 0.5566 0.0180 0.6125 0.037 Uiso 1 1 calc R
C48 C 0.5873(3) -0.0762(4) 0.6506(2) 0.0426(17) Uani 1 1 d .
C49 C 0.6347(4) -0.1081(6) 0.6352(3) 0.074(3) Uani 1 1 d .
H49A H 0.6662 -0.0725 0.6439 0.111 Uiso 1 1 calc R
H49B H 0.6244 -0.1051 0.6094 0.111 Uiso 1 1 calc R
H49C H 0.6432 -0.1667 0.6425 0.111 Uiso 1 1 calc R
C50 C 0.5370(3) -0.1332(5) 0.6369(3) 0.066(3) Uani 1 1 d .
H50A H 0.5264 -0.1303 0.6111 0.100 Uiso 1 1 calc R
H50B H 0.5075 -0.1131 0.6467 0.100 Uiso 1 1 calc R
H50C H 0.5455 -0.1917 0.6442 0.100 Uiso 1 1 calc R
C51 C 0.6031(5) -0.0831(6) 0.6919(3) 0.073(3) Uani 1 1 d .
H51A H 0.6343 -0.0472 0.7012 0.110 Uiso 1 1 calc R
H51B H 0.6119 -0.1419 0.6987 0.110 Uiso 1 1 calc R
H51C H 0.5731 -0.0645 0.7015 0.110 Uiso 1 1 calc R
C52 C 0.5305(2) 0.0594(4) 0.65666(19) 0.0339(14) Uani 1 1 d .
C53 C 0.9348(2) 0.2817(4) 0.89926(15) 0.0266(13) Uani 1 1 d .
C54 C 0.9346(2) 0.3724(4) 0.90068(17) 0.0305(13) Uani 1 1 d .
C55 C 0.8869(3) 0.4185(4) 0.89284(18) 0.0350(14) Uani 1 1 d .
H55 H 0.8873 0.4784 0.8944 0.042 Uiso 1 1 calc R
C56 C 0.8375(2) 0.3735(4) 0.88246(18) 0.0344(14) Uani 1 1 d .
C57 C 0.8362(2) 0.2863(4) 0.87959(17) 0.0328(14) Uani 1 1 d .
H57 H 0.8030 0.2579 0.8722 0.039 Uiso 1 1 calc R
C58 C 0.8849(2) 0.2386(4) 0.88768(16) 0.0294(13) Uani 1 1 d .
C59 C 0.8821(2) 0.1456(4) 0.88436(15) 0.0264(13) Uani 1 1 d .
H59 H 0.8480 0.1214 0.8750 0.032 Uiso 1 1 calc R
C60 C 0.9101(2) -0.0004(4) 0.89185(17) 0.0301(13) Uani 1 1 d .
H60 H 0.8728 -0.0075 0.8949 0.036 Uiso 1 1 calc R
C61 C 0.9138(3) -0.0449(4) 0.85555(18) 0.0355(14) Uani 1 1 d .
C62 C 0.8772(3) 0.0043(5) 0.82416(19) 0.0460(18) Uani 1 1 d .
H62A H 0.8404 0.0050 0.8271 0.069 Uiso 1 1 calc R
H62B H 0.8780 -0.0238 0.8020 0.069 Uiso 1 1 calc R
H62C H 0.8902 0.0624 0.8238 0.069 Uiso 1 1 calc R
C63 C 0.8909(3) -0.1382(5) 0.8562(2) 0.0508(19) Uani 1 1 d .
H63A H 0.8540 -0.1355 0.8589 0.076 Uiso 1 1 calc R
H63B H 0.9130 -0.1696 0.8759 0.076 Uiso 1 1 calc R
H63C H 0.8915 -0.1669 0.8341 0.076 Uiso 1 1 calc R
C64 C 0.9718(3) -0.0472(5) 0.8508(2) 0.0440(17) Uani 1 1 d .
H64A H 0.9947 -0.0775 0.8706 0.066 Uiso 1 1 calc R
H64B H 0.9851 0.0107 0.8500 0.066 Uiso 1 1 calc R
H64C H 0.9725 -0.0763 0.8288 0.066 Uiso 1 1 calc R
C65 C 0.9492(2) -0.0392(4) 0.92443(16) 0.0273(13) Uani 1 1 d .
C66 C 0.8607(2) 0.2766(4) 1.01849(17) 0.0314(14) Uani 1 1 d .
C67 C 0.8708(2) 0.3662(5) 1.0198(2) 0.0372(16) Uani 1 1 d .
C68 C 0.8707(2) 0.4146(5) 1.0501(2) 0.0388(16) Uani 1 1 d .
H68 H 0.8775 0.4736 1.0508 0.047 Uiso 1 1 calc R
C69 C 0.8600(3) 0.3715(5) 1.0798(2) 0.0449(18) Uani 1 1 d .
C70 C 0.8505(2) 0.2835(5) 1.08039(19) 0.0372(15) Uani 1 1 d .
H70 H 0.8435 0.2569 1.1006 0.045 Uiso 1 1 calc R
C71 C 0.8520(2) 0.2353(4) 1.04907(18) 0.0318(14) Uani 1 1 d .
C72 C 0.8455(2) 0.1424(4) 1.05020(17) 0.0300(14) Uani 1 1 d .
H72 H 0.8363 0.1187 1.0703 0.036 Uiso 1 1 calc R
C73 C 0.8502(2) -0.0024(4) 1.03193(18) 0.0321(14) Uani 1 1 d .
H73 H 0.8608 -0.0126 1.0579 0.039 Uiso 1 1 calc R
C74 C 0.7915(3) -0.0432(5) 1.0164(2) 0.0456(18) Uani 1 1 d .
C75 C 0.7489(3) 0.0144(7) 1.0274(3) 0.088(4) Uani 1 1 d .
H75A H 0.7577 0.0208 1.0530 0.132 Uiso 1 1 calc R
H75B H 0.7135 -0.0114 1.0196 0.132 Uiso 1 1 calc R
H75C H 0.7488 0.0701 1.0164 0.132 Uiso 1 1 calc R
C76 C 0.7930(4) -0.1348(6) 1.0345(3) 0.076(3) Uani 1 1 d .
H76A H 0.8004 -0.1282 1.0601 0.114 Uiso 1 1 calc R
H76B H 0.8211 -0.1692 1.0284 0.114 Uiso 1 1 calc R
H76C H 0.7584 -0.1627 1.0261 0.114 Uiso 1 1 calc R
C77 C 0.7797(3) -0.0553(6) 0.9764(2) 0.055(2) Uani 1 1 d .
H77A H 0.8067 -0.0927 0.9705 0.083 Uiso 1 1 calc R
H77B H 0.7807 -0.0004 0.9650 0.083 Uiso 1 1 calc R
H77C H 0.7442 -0.0806 0.9682 0.083 Uiso 1 1 calc R
C78 C 0.8936(2) -0.0406(4) 1.01473(17) 0.0307(14) Uani 1 1 d .
C79 C 1.0000 -0.3442(8) 1.0000 0.042(2) Uani 1 2 d S
C80 C 1.0000 -0.4394(8) 1.0000 0.073(4) Uani 1 2 d S
H80A H 1.0285 -0.4600 1.0194 0.109 Uiso 0.50 1 calc PR
H80B H 1.0060 -0.4600 0.9776 0.109 Uiso 0.50 1 calc PR
H80C H 0.9654 -0.4600 1.0030 0.109 Uiso 0.50 1 calc PR
C81 C 0.7279(3) 0.1209(6) 0.8818(3) 0.054(2) Uani 1 1 d .
C82 C 0.7128(3) 0.1664(7) 0.9103(3) 0.072(3) Uani 1 1 d .
H82A H 0.7451 0.1861 0.9270 0.109 Uiso 1 1 calc R
H82B H 0.6927 0.1286 0.9224 0.109 Uiso 1 1 calc R
H82C H 0.6905 0.2149 0.9007 0.109 Uiso 1 1 calc R
C83 C 0.5761(3) 0.1853(6) 0.9387(2) 0.055(2) Uani 1 1 d .
C84 C 0.6051(4) 0.1364(6) 0.9530(3) 0.065(2) Uani 1 1 d .
H84A H 0.6256 0.1603 0.9752 0.097 Uiso 1 1 calc R
H84B H 0.6296 0.1199 0.9384 0.097 Uiso 1 1 calc R
H84C H 0.5854 0.0867 0.9579 0.097 Uiso 1 1 calc R
C85 C 0.7575(3) 0.6534(6) 0.8634(3) 0.059(2) Uani 1 1 d .
C86 C 0.7917(4) 0.6573(8) 0.8393(3) 0.079(3) Uani 1 1 d .
H86A H 0.7715 0.6408 0.8157 0.119 Uiso 1 1 calc R
H86B H 0.8219 0.6187 0.8470 0.119 Uiso 1 1 calc R
H86C H 0.8050 0.7151 0.8385 0.119 Uiso 1 1 calc R
C87 C 0.6568(5) 0.9467(6) 0.7856(3) 0.075(3) Uani 1 1 d .
C88 C 0.7101(5) 0.9387(9) 0.7812(4) 0.101(4) Uani 1 1 d .
H88A H 0.7205 0.9911 0.7711 0.151 Uiso 1 1 calc R
H88B H 0.7119 0.8915 0.7653 0.151 Uiso 1 1 calc R
H88C H 0.7346 0.9281 0.8040 0.151 Uiso 1 1 calc R
C89 C 0.8804(4) 0.6806(7) 0.9323(3) 0.076(3) Uani 1 1 d .
C90 C 0.8570(4) 0.7330(8) 0.9546(3) 0.088(3) Uani 1 1 d .
H90A H 0.8673 0.7919 0.9522 0.132 Uiso 1 1 calc R
H90B H 0.8698 0.7148 0.9790 0.132 Uiso 1 1 calc R
H90C H 0.8180 0.7279 0.9476 0.132 Uiso 1 1 calc R
C91 C 0.9071(4) 0.4342(6) 0.7373(3) 0.063(2) Uani 1 1 d .
C92 C 0.9493(5) 0.4102(8) 0.7195(3) 0.093(4) Uani 1 1 d .
H92A H 0.9842 0.4143 0.7362 0.140 Uiso 1 1 calc R
H92B H 0.9484 0.4483 0.6996 0.140 Uiso 1 1 calc R
H92C H 0.9434 0.3520 0.7109 0.140 Uiso 1 1 calc R
C93 C 0.2995(3) 0.0562(6) 0.6744(2) 0.0516(19) Uani 1 1 d .
C94 C 0.2487(3) 0.0270(7) 0.6814(3) 0.078(3) Uani 1 1 d .
H94A H 0.2557 -0.0196 0.6983 0.117 Uiso 1 1 calc R
H94B H 0.2250 0.0075 0.6594 0.117 Uiso 1 1 calc R
H94C H 0.2317 0.0737 0.6910 0.117 Uiso 1 1 calc R
C95 C 0.7980(3) 0.7135(6) 0.7444(3) 0.063(2) Uani 1 1 d .
C96 C 0.8514(4) 0.6793(9) 0.7565(3) 0.081(3) Uani 1 1 d .
H96A H 0.8677 0.7015 0.7800 0.122 Uiso 1 1 calc R
H96B H 0.8733 0.6958 0.7401 0.122 Uiso 1 1 calc R
H96C H 0.8495 0.6175 0.7575 0.122 Uiso 1 1 calc R
C97 C 0.9913(4) 0.2338(7) 0.8183(3) 0.064(2) Uani 1 1 d .
C98 C 1.0113(6) 0.3165(8) 0.8305(4) 0.112(5) Uani 1 1 d .
H98A H 1.0240 0.3157 0.8562 0.167 Uiso 1 1 calc R
H98B H 0.9826 0.3583 0.8238 0.167 Uiso 1 1 calc R
H98C H 1.0409 0.3317 0.8199 0.167 Uiso 1 1 calc R
C99 C 0.6213(3) 0.4244(7) 0.8558(3) 0.061(2) Uani 1 1 d .
C100 C 0.6112(4) 0.5078(7) 0.8372(3) 0.074(3) Uani 1 1 d .
H10D H 0.6197 0.5536 0.8545 0.111 Uiso 1 1 calc R
H10E H 0.5736 0.5115 0.8247 0.111 Uiso 1 1 calc R
H10F H 0.6339 0.5127 0.8204 0.111 Uiso 1 1 calc R
C101 C 0.8844(7) 0.4390(11) 0.5726(5) 0.129(6) Uani 1 1 d .
C102 C 0.8678(5) 0.4730(10) 0.6004(4) 0.112(4) Uani 1 1 d .
H10G H 0.8821 0.5303 0.6050 0.168 Uiso 1 1 calc R
H10H H 0.8806 0.4379 0.6213 0.168 Uiso 1 1 calc R
H10I H 0.8286 0.4751 0.5948 0.168 Uiso 1 1 calc R
C103 C 0.7544(5) 0.7169(10) 0.6025(4) 0.106(4) Uiso 1 1 d .
C104 C 0.7694(6) 0.7744(12) 0.6279(4) 0.132(5) Uiso 1 1 d .
H10J H 0.7574 0.8305 0.6187 0.198 Uiso 1 1 calc R
H10K H 0.8085 0.7742 0.6359 0.198 Uiso 1 1 calc R
H10L H 0.7534 0.7608 0.6476 0.198 Uiso 1 1 calc R
C105 C 0.6740(7) 0.5370(13) 0.4895(4) 0.141(7) Uani 1 1 d .
C106 C 0.7347(7) 0.5047(18) 0.5007(8) 0.238(15) Uani 1 1 d .
H10M H 0.7414 0.4788 0.5240 0.357 Uiso 1 1 calc R
H10N H 0.7589 0.5527 0.5012 0.357 Uiso 1 1 calc R
H10O H 0.7409 0.4629 0.4836 0.357 Uiso 1 1 calc R
C107 C 0.4301(4) 0.7178(7) 0.6292(4) 0.081(3) Uani 1 1 d .
C108 C 0.4436(4) 0.6865(7) 0.5970(3) 0.078(3) Uani 1 1 d .
H10P H 0.4200 0.6392 0.5875 0.118 Uiso 1 1 calc R
H10Q H 0.4808 0.6674 0.6025 0.118 Uiso 1 1 calc R
H10R H 0.4388 0.7320 0.5796 0.118 Uiso 1 1 calc R
Ag1 Ag 0.423244(19) 0.15895(4) 0.669665(14) 0.04234(14) Uani 1 1 d .
Ag2 Ag 1.0000 -0.11762(5) 1.0000 0.03758(17) Uani 1 2 d S
V1 V 0.54227(4) 0.26790(7) 0.59906(3) 0.0317(2) Uani 1 1 d .
V2 V 0.47884(4) 0.44990(7) 0.65336(3) 0.0304(2) Uani 1 1 d .
V3 V 0.55796(4) 0.33595(6) 0.74758(3) 0.0250(2) Uani 1 1 d .
V4 V 0.62464(4) 0.16042(7) 0.69083(3) 0.0269(2) Uani 1 1 d .
V5 V 0.58505(4) 0.34474(7) 0.67411(3) 0.0260(2) Uani 1 1 d .
V6 V 1.00094(3) 0.12841(6) 0.92509(3) 0.0238(2) Uani 1 1 d .
V7 V 0.88380(3) 0.12557(7) 0.98075(3) 0.0250(2) Uani 1 1 d .
V8 V 1.0000 0.19415(9) 1.0000 0.0225(3) Uani 1 2 d S
N1 N 0.4750(2) 0.3340(4) 0.56599(14) 0.0343(12) Uani 1 1 d .
N2 N 0.45113(19) 0.4951(3) 0.69850(15) 0.0303(12) Uani 1 1 d .
N3 N 0.58910(17) 0.2232(3) 0.77709(13) 0.0253(10) Uani 1 1 d .
N4 N 0.61911(19) 0.0782(3) 0.64553(15) 0.0309(12) Uani 1 1 d .
N5 N 0.85171(17) 0.0910(3) 1.02522(13) 0.0274(11) Uani 1 1 d .
N6 N 0.92293(17) 0.0936(3) 0.89334(12) 0.0224(10) Uani 1 1 d .
N7 N 1.0000 -0.2710(7) 1.0000 0.048(2) Uani 1 2 d S
N8 N 0.7400(3) 0.0841(6) 0.8590(2) 0.066(2) Uani 1 1 d .
N9 N 0.5384(3) 0.2497(6) 0.9195(2) 0.082(3) Uani 1 1 d .
N10 N 0.7298(4) 0.6518(7) 0.8838(3) 0.090(3) Uani 1 1 d .
N11 N 0.6109(5) 0.9516(6) 0.7865(3) 0.104(4) Uani 1 1 d .
N12 N 0.8994(4) 0.6413(7) 0.9115(3) 0.101(3) Uani 1 1 d .
N13 N 0.8748(4) 0.4547(6) 0.7518(3) 0.083(3) Uani 1 1 d .
N14 N 0.3403(3) 0.0797(6) 0.6692(2) 0.075(2) Uani 1 1 d .
N15 N 0.7562(3) 0.7431(7) 0.7343(4) 0.112(4) Uani 1 1 d .
N16 N 0.9737(3) 0.1666(7) 0.8081(3) 0.084(3) Uani 1 1 d .
N17 N 0.6287(4) 0.3592(7) 0.8692(3) 0.092(3) Uani 1 1 d .
N18 N 0.9017(8) 0.4073(15) 0.5522(6) 0.190(8) Uiso 1 1 d .
N19 N 0.7400(6) 0.6650(12) 0.5780(5) 0.159(5) Uiso 1 1 d .
N20 N 0.6316(5) 0.5425(12) 0.4777(4) 0.162(7) Uani 1 1 d .
N21 N 0.4192(4) 0.7432(9) 0.6536(4) 0.130(5) Uani 1 1 d .
O1 O 0.55353(19) 0.1858(3) 0.57672(13) 0.0449(12) Uani 1 1 d .
O2 O 0.43653(17) 0.4789(3) 0.61738(13) 0.0404(11) Uani 1 1 d .
O3 O 0.52223(16) 0.3886(3) 0.76954(12) 0.0336(10) Uani 1 1 d .
O4 O 0.64669(17) 0.1016(3) 0.72548(12) 0.0361(10) Uani 1 1 d .
O5 O 0.63512(16) 0.4067(3) 0.67396(13) 0.0355(10) Uani 1 1 d .
O6 O 1.04421(16) 0.1068(3) 0.90241(12) 0.0362(10) Uani 1 1 d .
O7 O 0.83836(15) 0.1017(3) 0.94586(12) 0.0368(11) Uani 1 1 d .
O8 O 1.0000 0.2970(4) 1.0000 0.0309(14) Uani 1 2 d S
O9 O 0.58390(17) 0.3492(3) 0.58126(12) 0.0392(11) Uani 1 1 d .
O10 O 0.39023(19) 0.2090(4) 0.60777(13) 0.0478(13) Uani 1 1 d .
O11 O 0.47916(17) 0.2223(3) 0.61328(12) 0.0379(11) Uani 1 1 d .
O12 O 0.52659(16) 0.3831(3) 0.63748(11) 0.0310(9) Uani 1 1 d .
O13 O 0.52034(17) 0.5502(3) 0.66053(12) 0.0361(10) Uani 1 1 d .
O14 O 0.37884(18) 0.2978(3) 0.69446(15) 0.0474(13) Uani 1 1 d .
O15 O 0.43605(16) 0.3563(3) 0.66524(13) 0.0352(10) Uani 1 1 d .
O16 O 0.54659(15) 0.3935(3) 0.70542(11) 0.0278(9) Uani 1 1 d .
O17 O 0.62511(15) 0.3823(3) 0.77000(12) 0.0312(9) Uani 1 1 d .
O18 O 0.46765(16) 0.1180(3) 0.73089(12) 0.0349(10) Uani 1 1 d .
O19 O 0.50426(15) 0.2485(3) 0.72907(11) 0.0297(9) Uani 1 1 d .
O20 O 0.60847(15) 0.2617(3) 0.70950(11) 0.0281(9) Uani 1 1 d .
O21 O 0.69193(15) 0.1903(3) 0.68241(12) 0.0327(10) Uani 1 1 d .
O22 O 0.48209(17) 0.0394(3) 0.64951(14) 0.0442(12) Uani 1 1 d .
O23 O 0.55073(16) 0.1191(3) 0.68022(12) 0.0336(10) Uani 1 1 d .
O24 O 0.58844(15) 0.2535(3) 0.64211(11) 0.0293(9) Uani 1 1 d .
O25 O 0.98184(14) 0.2385(3) 0.90722(11) 0.0289(9) Uani 1 1 d .
O26 O 0.94338(17) -0.1106(3) 0.93586(12) 0.0359(10) Uani 1 1 d .
O27 O 0.99029(15) 0.0121(3) 0.93939(12) 0.0328(10) Uani 1 1 d .
O28 O 0.94108(13) 0.1578(3) 0.96338(10) 0.0251(8) Uani 1 1 d .
O29 O 0.85869(16) 0.2331(3) 0.98835(12) 0.0322(10) Uani 1 1 d .
O30 O 0.91050(18) -0.1147(3) 1.02120(14) 0.0421(11) Uani 1 1 d .
O31 O 0.91040(16) 0.0103(3) 0.99259(12) 0.0317(10) Uani 1 1 d .
O32 O 1.04267(13) 0.1588(3) 0.96839(10) 0.0241(8) Uani 1 1 d .
Cl1 Cl 0.68599(7) 0.43687(17) 0.58725(7) 0.0686(6) Uani 1 1 d .
Cl2 Cl 0.55666(13) 0.71252(19) 0.54130(12) 0.1109(12) Uani 1 1 d .
Cl3 Cl 0.61699(8) 0.63974(13) 0.65078(6) 0.0570(5) Uani 1 1 d .
Cl4 Cl 0.64355(9) 0.71868(15) 0.79186(7) 0.0717(7) Uani 1 1 d .
Cl5 Cl 0.70864(7) 0.50998(11) 0.76751(6) 0.0502(5) Uani 1 1 d .
Cl6 Cl 0.84527(6) 0.23650(12) 0.79168(5) 0.0442(4) Uani 1 1 d .
Cl7 Cl 0.78632(7) 0.30466(13) 0.69328(6) 0.0537(5) Uani 1 1 d .
Cl8 Cl 0.78357(9) 0.2234(2) 0.55629(6) 0.0903(10) Uani 1 1 d .
Cl9 Cl 0.99631(7) 0.42575(12) 0.91415(6) 0.0495(5) Uani 1 1 d .
Cl10 Cl 0.77634(7) 0.43248(13) 0.87302(6) 0.0543(5) Uani 1 1 d .
Cl11 Cl 0.88476(7) 0.41507(13) 0.98260(6) 0.0499(5) Uani 1 1 d .
Cl12 Cl 0.85847(10) 0.43099(16) 1.11863(7) 0.0724(7) 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'
V V 0.3005 0.5294 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
O9 C1 C2 119.5(6) . .
O9 C1 C6 122.8(6) . .
C2 C1 C6 117.6(7) . .
C3 C2 C1 120.7(7) . .
C3 C2 Cl1 122.2(6) . .
C1 C2 Cl1 117.0(6) . .
C4 C3 C2 119.4(8) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C3 C4 C5 122.5(8) . .
C3 C4 Cl2 117.9(7) . .
C5 C4 Cl2 119.6(7) . .
C4 C5 C6 119.4(7) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C5 C6 C1 120.2(6) . .
C5 C6 C7 119.9(6) . .
C1 C6 C7 119.8(6) . .
N1 C7 C6 125.6(6) . .
N1 C7 H7 117.2 . .
C6 C7 H7 117.2 . .
N1 C8 C13 105.2(5) . .
N1 C8 C9 114.4(5) . .
C13 C8 C9 114.0(6) . .
N1 C8 H8 107.6 . .
C13 C8 H8 107.6 . .
C9 C8 H8 107.6 . .
C11 C9 C12 109.1(7) . .
C11 C9 C10 108.2(7) . .
C12 C9 C10 108.3(8) . .
C11 C9 C8 110.9(7) . .
C12 C9 C8 108.5(6) . .
C10 C9 C8 111.8(6) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O10 C13 O11 122.8(7) . .
O10 C13 C8 123.1(6) . .
O11 C13 C8 114.1(6) . .
O13 C14 C19 122.5(6) . .
O13 C14 C15 118.8(6) . .
C19 C14 C15 118.7(6) . .
C16 C15 C14 120.3(7) . .
C16 C15 Cl3 121.1(6) . .
C14 C15 Cl3 118.6(6) . .
C15 C16 C17 120.3(7) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C18 C17 C16 120.5(7) . .
C18 C17 Cl4 118.9(7) . .
C16 C17 Cl4 120.5(6) . .
C17 C18 C19 119.6(7) . .
C17 C18 H18 120.2 . .
C19 C18 H18 120.2 . .
C14 C19 C18 120.5(6) . .
C14 C19 C20 121.5(6) . .
C18 C19 C20 118.0(6) . .
N2 C20 C19 123.7(6) . .
N2 C20 H20 118.1 . .
C19 C20 H20 118.1 . .
N2 C21 C26 105.3(5) . .
N2 C21 C22 113.7(5) . .
C26 C21 C22 115.4(5) . .
N2 C21 H21 107.4 . .
C26 C21 H21 107.4 . .
C22 C21 H21 107.4 . .
C25 C22 C24 110.6(7) . .
C25 C22 C23 110.4(7) . .
C24 C22 C23 107.8(7) . .
C25 C22 C21 110.3(6) . .
C24 C22 C21 108.4(6) . .
C23 C22 C21 109.4(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 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O14 C26 O15 122.6(6) . .
O14 C26 C21 122.9(6) . .
O15 C26 C21 114.4(6) . .
O17 C27 C28 119.1(6) . .
O17 C27 C32 121.4(5) . .
C28 C27 C32 119.5(5) . .
C29 C28 C27 120.3(6) . .
C29 C28 Cl5 120.6(5) . .
C27 C28 Cl5 119.1(5) . .
C28 C29 C30 119.0(6) . .
C28 C29 H29 120.5 . .
C30 C29 H29 120.5 . .
C31 C30 C29 122.1(5) . .
C31 C30 Cl6 119.5(5) . .
C29 C30 Cl6 118.3(5) . .
C30 C31 C32 119.0(6) . .
C30 C31 H31 120.5 . .
C32 C31 H31 120.5 . .
C31 C32 C27 119.9(6) . .
C31 C32 C33 119.5(6) . .
C27 C32 C33 120.6(5) . .
N3 C33 C32 125.5(6) . .
N3 C33 H33 117.3 . .
C32 C33 H33 117.3 . .
N3 C34 C39 104.8(5) . .
N3 C34 C35 114.5(5) . .
C39 C34 C35 113.3(4) . .
N3 C34 H34 108.0 . .
C39 C34 H34 108.0 . .
C35 C34 H34 108.0 . .
C37 C35 C36 109.4(6) . .
C37 C35 C38 110.7(5) . .
C36 C35 C38 109.5(5) . .
C37 C35 C34 108.8(5) . .
C36 C35 C34 108.3(5) . .
C38 C35 C34 110.1(5) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C35 C37 H37A 109.5 . .
C35 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C35 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C35 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O18 C39 O19 122.1(5) . .
O18 C39 C34 122.4(6) . .
O19 C39 C34 115.5(5) . .
O21 C40 C41 121.3(6) . .
O21 C40 C45 121.9(5) . .
C41 C40 C45 116.8(6) . .
C42 C41 C40 122.2(6) . .
C42 C41 Cl7 120.3(5) . .
C40 C41 Cl7 117.5(5) . .
C41 C42 C43 120.4(6) . .
C41 C42 H42 119.8 . .
C43 C42 H42 119.8 . .
C44 C43 C42 120.2(7) . .
C44 C43 Cl8 120.4(6) . .
C42 C43 Cl8 119.4(5) . .
C43 C44 C45 119.8(7) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C44 C45 C40 120.6(6) . .
C44 C45 C46 118.6(6) . .
C40 C45 C46 120.8(5) . .
N4 C46 C45 124.8(6) . .
N4 C46 H46 117.6 . .
C45 C46 H46 117.6 . .
N4 C47 C52 105.3(5) . .
N4 C47 C48 114.2(5) . .
C52 C47 C48 113.5(6) . .
N4 C47 H47 107.9 . .
C52 C47 H47 107.9 . .
C48 C47 H47 107.9 . .
C49 C48 C50 109.7(7) . .
C49 C48 C51 109.6(8) . .
C50 C48 C51 107.8(7) . .
C49 C48 C47 110.2(7) . .
C50 C48 C47 108.5(6) . .
C51 C48 C47 111.0(6) . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C48 C50 H50A 109.5 . .
C48 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C48 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C48 C51 H51A 109.5 . .
C48 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C48 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
O22 C52 O23 122.7(6) . .
O22 C52 C47 123.3(6) . .
O23 C52 C47 114.0(5) . .
O25 C53 C58 121.1(6) . .
O25 C53 C54 120.3(5) . .
C58 C53 C54 118.5(5) . .
C55 C54 C53 121.6(6) . .
C55 C54 Cl9 119.8(5) . .
C53 C54 Cl9 118.6(4) . .
C54 C55 C56 118.6(6) . .
C54 C55 H55 120.7 . .
C56 C55 H55 120.7 . .
C57 C56 C55 121.4(6) . .
C57 C56 Cl10 120.0(5) . .
C55 C56 Cl10 118.5(5) . .
C56 C57 C58 120.3(6) . .
C56 C57 H57 119.8 . .
C58 C57 H57 119.8 . .
C53 C58 C57 119.5(6) . .
C53 C58 C59 121.6(5) . .
C57 C58 C59 118.9(6) . .
N6 C59 C58 125.5(5) . .
N6 C59 H59 117.3 . .
C58 C59 H59 117.3 . .
N6 C60 C65 105.2(5) . .
N6 C60 C61 113.9(5) . .
C65 C60 C61 113.0(5) . .
N6 C60 H60 108.2 . .
C65 C60 H60 108.2 . .
C61 C60 H60 108.2 . .
C64 C61 C62 109.7(6) . .
C64 C61 C63 110.6(6) . .
C62 C61 C63 108.3(6) . .
C64 C61 C60 112.0(5) . .
C62 C61 C60 108.9(5) . .
C63 C61 C60 107.1(5) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C61 C64 H64A 109.5 . .
C61 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C61 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O26 C65 O27 122.7(5) . .
O26 C65 C60 123.3(5) . .
O27 C65 C60 114.0(5) . .
O29 C66 C71 121.1(6) . .
O29 C66 C67 120.0(6) . .
C71 C66 C67 118.9(6) . .
C68 C67 C66 121.9(7) . .
C68 C67 Cl11 119.8(6) . .
C66 C67 Cl11 118.3(6) . .
C67 C68 C69 117.5(7) . .
C67 C68 H68 121.2 . .
C69 C68 H68 121.2 . .
C70 C69 C68 123.3(7) . .
C70 C69 Cl12 117.7(6) . .
C68 C69 Cl12 119.0(6) . .
C69 C70 C71 117.7(7) . .
C69 C70 H70 121.1 . .
C71 C70 H70 121.1 . .
C66 C71 C70 120.6(6) . .
C66 C71 C72 121.4(6) . .
C70 C71 C72 118.1(6) . .
N5 C72 C71 124.0(6) . .
N5 C72 H72 118.0 . .
C71 C72 H72 118.0 . .
N5 C73 C78 104.9(5) . .
N5 C73 C74 112.6(5) . .
C78 C73 C74 112.5(5) . .
N5 C73 H73 108.9 . .
C78 C73 H73 108.9 . .
C74 C73 H73 108.9 . .
C77 C74 C75 111.7(8) . .
C77 C74 C76 108.4(7) . .
C75 C74 C76 110.4(8) . .
C77 C74 C73 112.1(6) . .
C75 C74 C73 108.4(6) . .
C76 C74 C73 105.6(6) . .
C74 C75 H75A 109.5 . .
C74 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C74 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C74 C76 H76A 109.5 . .
C74 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C74 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C74 C77 H77A 109.5 . .
C74 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C74 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
O30 C78 O31 123.2(6) . .
O30 C78 C73 121.7(6) . .
O31 C78 C73 115.1(6) . .
N7 C79 C80 180.000(10) . .
C79 C80 H80A 110.5 . .
C79 C80 H80B 110.5 . .
H80A C80 H80B 108.5 . .
C79 C80 H80C 110.5 . .
H80A C80 H80C 108.5 . .
H80B C80 H80C 108.5 . .
N8 C81 C82 179.7(11) . .
C81 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C81 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C84 C83 N9 179.3(11) . .
C83 C84 H84A 109.5 . .
C83 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C83 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
N10 C85 C86 178.4(12) . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
N11 C87 C88 174.9(13) . .
C87 C88 H88A 109.5 . .
C87 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C87 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
N12 C89 C90 174.9(13) . .
C89 C90 H90A 109.5 . .
C89 C90 H90B 109.5 . .
H90A C90 H90B 109.5 . .
C89 C90 H90C 109.5 . .
H90A C90 H90C 109.5 . .
H90B C90 H90C 109.5 . .
N13 C91 C92 178.1(11) . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
N14 C93 C94 179.3(11) . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
N15 C95 C96 177.6(12) . .
C95 C96 H96A 109.5 . .
C95 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
C95 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
N16 C97 C98 178.6(13) . .
C97 C98 H98A 109.5 . .
C97 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C97 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
N17 C99 C100 178.3(11) . .
C99 C100 H10D 109.5 . .
C99 C100 H10E 109.5 . .
H10D C100 H10E 109.5 . .
C99 C100 H10F 109.5 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
N18 C101 C102 173(3) . .
C101 C102 H10G 109.5 . .
C101 C102 H10H 109.5 . .
H10G C102 H10H 109.5 . .
C101 C102 H10I 109.5 . .
H10G C102 H10I 109.5 . .
H10H C102 H10I 109.5 . .
N19 C103 C104 178.0(19) . .
C103 C104 H10J 109.5 . .
C103 C104 H10K 109.5 . .
H10J C104 H10K 109.5 . .
C103 C104 H10L 109.5 . .
H10J C104 H10L 109.5 . .
H10K C104 H10L 109.5 . .
N20 C105 C106 164(3) . .
C105 C106 H10M 109.5 . .
C105 C106 H10N 109.5 . .
H10M C106 H10N 109.5 . .
C105 C106 H10O 109.5 . .
H10M C106 H10O 109.5 . .
H10N C106 H10O 109.5 . .
N21 C107 C108 178.7(17) . .
C107 C108 H10P 109.5 . .
C107 C108 H10Q 109.5 . .
H10P C108 H10Q 109.5 . .
C107 C108 H10R 109.5 . .
H10P C108 H10R 109.5 . .
H10Q C108 H10R 109.5 . .
N14 Ag1 O18 94.4(2) . .
N14 Ag1 O10 93.3(2) . .
O18 Ag1 O10 172.34(15) . .
N7 Ag2 O26 92.47(11) . .
N7 Ag2 O26 92.47(11) . 2_757
O26 Ag2 O26 175.1(2) . 2_757
N7 Ag2 O30 91.02(11) . 2_757
O26 Ag2 O30 91.65(15) . 2_757
O26 Ag2 O30 88.27(15) 2_757 2_757
N7 Ag2 O30 91.02(11) . .
O26 Ag2 O30 88.27(15) . .
O26 Ag2 O30 91.64(15) 2_757 .
O30 Ag2 O30 178.0(2) 2_757 .
O1 V1 O24 103.6(2) . .
O1 V1 O9 99.0(2) . .
O24 V1 O9 96.9(2) . .
O1 V1 O11 97.0(2) . .
O24 V1 O11 95.41(19) . .
O9 V1 O11 156.9(2) . .
O1 V1 N1 106.4(2) . .
O24 V1 N1 149.5(2) . .
O9 V1 N1 84.0(2) . .
O11 V1 N1 75.6(2) . .
O1 V1 O12 174.7(2) . .
O24 V1 O12 72.17(16) . .
O9 V1 O12 84.83(19) . .
O11 V1 O12 80.48(18) . .
N1 V1 O12 77.57(18) . .
O1 V1 V5 138.18(18) . .
O24 V1 V5 34.60(13) . .
O9 V1 V5 88.65(16) . .
O11 V1 V5 90.52(14) . .
N1 V1 V5 115.32(16) . .
O12 V1 V5 37.76(10) . .
O2 V2 O12 103.5(2) . .
O2 V2 O13 97.5(2) . .
O12 V2 O13 97.7(2) . .
O2 V2 O15 96.8(2) . .
O12 V2 O15 95.9(2) . .
O13 V2 O15 157.4(2) . .
O2 V2 N2 109.2(2) . .
O12 V2 N2 146.85(19) . .
O13 V2 N2 83.4(2) . .
O15 V2 N2 75.4(2) . .
O2 V2 O16 174.4(2) . .
O12 V2 O16 71.22(16) . .
O13 V2 O16 85.28(17) . .
O15 V2 O16 82.04(17) . .
N2 V2 O16 75.88(16) . .
O2 V2 V5 137.47(17) . .
O12 V2 V5 34.03(13) . .
O13 V2 V5 88.82(13) . .
O15 V2 V5 92.38(13) . .
N2 V2 V5 113.33(13) . .
O16 V2 V5 37.46(10) . .
O3 V3 O16 103.2(2) . .
O3 V3 O17 97.1(2) . .
O16 V3 O17 99.13(19) . .
O3 V3 O19 96.8(2) . .
O16 V3 O19 93.89(18) . .
O17 V3 O19 158.15(18) . .
O3 V3 N3 108.9(2) . .
O16 V3 N3 147.23(19) . .
O17 V3 N3 83.64(18) . .
O19 V3 N3 75.98(17) . .
O3 V3 O20 175.23(19) . .
O16 V3 O20 72.18(16) . .
O17 V3 O20 84.96(16) . .
O19 V3 O20 82.42(16) . .
N3 V3 O20 75.59(17) . .
O3 V3 V5 137.80(17) . .
O16 V3 V5 34.59(13) . .
O17 V3 V5 91.87(14) . .
O19 V3 V5 88.96(13) . .
N3 V3 V5 113.09(14) . .
O20 V3 V5 37.61(10) . .
O4 V4 O20 103.5(2) . .
O4 V4 O21 97.6(2) . .
O20 V4 O21 98.73(19) . .
O4 V4 O23 96.7(2) . .
O20 V4 O23 94.32(18) . .
O21 V4 O23 157.8(2) . .
O4 V4 N4 106.2(2) . .
O20 V4 N4 149.6(2) . .
O21 V4 N4 83.99(19) . .
O23 V4 N4 75.74(18) . .
O4 V4 O24 175.8(2) . .
O20 V4 O24 72.68(16) . .
O21 V4 O24 84.81(17) . .
O23 V4 O24 82.01(17) . .
N4 V4 O24 77.45(18) . .
O4 V4 V5 137.97(17) . .
O20 V4 V5 34.58(13) . .
O21 V4 V5 89.82(15) . .
O23 V4 V5 90.83(14) . .
N4 V4 V5 115.73(15) . .
O24 V4 V5 38.29(10) . .
O5 V5 O20 107.7(2) . .
O5 V5 O16 106.9(2) . .
O20 V5 O16 86.32(18) . .
O5 V5 O12 106.9(2) . .
O20 V5 O12 145.32(19) . .
O16 V5 O12 85.27(18) . .
O5 V5 O24 107.1(2) . .
O20 V5 O24 84.27(18) . .
O16 V5 O24 146.04(18) . .
O12 V5 O24 84.18(18) . .
O5 V5 V4 110.32(16) . .
O20 V5 V4 33.48(13) . .
O16 V5 V4 115.98(13) . .
O12 V5 V4 127.99(15) . .
O24 V5 V4 51.02(13) . .
O5 V5 V3 112.38(18) . .
O20 V5 V3 53.05(12) . .
O16 V5 V3 33.30(13) . .
O12 V5 V3 113.43(13) . .
O24 V5 V3 128.34(14) . .
V4 V5 V3 84.10(4) . .
O5 V5 V1 109.67(18) . .
O20 V5 V1 113.34(14) . .
O16 V5 V1 129.63(13) . .
O12 V5 V1 51.68(14) . .
O24 V5 V1 32.72(12) . .
V4 V5 V1 81.87(4) . .
V3 V5 V1 137.95(4) . .
O5 V5 V2 108.83(16) . .
O20 V5 V2 131.49(12) . .
O16 V5 V2 53.17(12) . .
O12 V5 V2 32.43(13) . .
O24 V5 V2 113.50(12) . .
V4 V5 V2 140.74(4) . .
V3 V5 V2 83.82(4) . .
V1 V5 V2 82.54(4) . .
O6 V6 O32 103.43(19) . .
O6 V6 O25 98.3(2) . .
O32 V6 O25 98.25(19) . .
O6 V6 O27 96.8(2) . .
O32 V6 O27 94.19(19) . .
O25 V6 O27 157.62(17) . .
O6 V6 N6 107.2(2) . .
O32 V6 N6 148.58(17) . .
O25 V6 N6 84.10(18) . .
O27 V6 N6 75.68(18) . .
O6 V6 O28 175.48(19) . .
O32 V6 O28 72.59(14) . .
O25 V6 O28 84.54(16) . .
O27 V6 O28 81.52(17) . .
N6 V6 O28 76.49(15) . .
O6 V6 V8 138.28(16) . .
O32 V6 V8 34.92(11) . .
O25 V6 V8 88.94(14) . .
O27 V6 V8 90.72(14) . .
N6 V6 V8 114.39(13) . .
O28 V6 V8 37.90(9) . .
O7 V7 O28 103.7(2) . .
O7 V7 O29 98.0(2) . .
O28 V7 O29 98.28(19) . .
O7 V7 O31 97.2(2) . .
O28 V7 O31 94.57(18) . .
O29 V7 O31 157.2(2) . .
O7 V7 N5 106.4(2) . .
O28 V7 N5 149.27(18) . .
O29 V7 N5 83.7(2) . .
O31 V7 N5 75.7(2) . .
O7 V7 O32 176.15(18) . 2_757
O28 V7 O32 73.01(15) . 2_757
O29 V7 O32 84.58(17) . 2_757
O31 V7 O32 81.30(16) . 2_757
N5 V7 O32 76.69(15) . 2_757
O7 V7 V8 138.59(16) . .
O28 V7 V8 34.95(12) . .
O29 V7 V8 89.57(13) . .
O31 V7 V8 90.29(12) . .
N5 V7 V8 114.90(12) . .
O32 V7 V8 38.21(9) 2_757 .
O8 V8 O28 107.50(13) . .
O8 V8 O28 107.50(13) . 2_757
O28 V8 O28 145.0(3) . 2_757
O8 V8 O32 106.93(13) . 2_757
O28 V8 O32 85.55(16) . 2_757
O28 V8 O32 84.41(16) 2_757 2_757
O8 V8 O32 106.93(14) . .
O28 V8 O32 84.41(15) . .
O28 V8 O32 85.55(16) 2_757 .
O32 V8 O32 146.1(3) 2_757 .
O8 V8 V7 110.47(3) . .
O28 V8 V7 33.31(12) . .
O28 V8 V7 128.72(13) 2_757 .
O32 V8 V7 52.43(11) 2_757 .
O32 V8 V7 113.96(12) . .
O8 V8 V7 110.47(3) . 2_757
O28 V8 V7 128.72(13) . 2_757
O28 V8 V7 33.30(12) 2_757 2_757
O32 V8 V7 113.96(12) 2_757 2_757
O32 V8 V7 52.43(11) . 2_757
V7 V8 V7 139.06(6) . 2_757
O8 V8 V6 109.51(3) . .
O28 V8 V6 51.32(11) . .
O28 V8 V6 115.10(13) 2_757 .
O32 V8 V6 129.85(13) 2_757 .
O32 V8 V6 33.36(11) . .
V7 V8 V6 82.81(3) . .
V7 V8 V6 83.79(3) 2_757 .
O8 V8 V6 109.50(3) . 2_757
O28 V8 V6 115.10(13) . 2_757
O28 V8 V6 51.32(11) 2_757 2_757
O32 V8 V6 33.36(10) 2_757 2_757
O32 V8 V6 129.85(13) . 2_757
V7 V8 V6 83.78(3) . 2_757
V7 V8 V6 82.80(3) 2_757 2_757
V6 V8 V6 140.99(6) . 2_757
C7 N1 C8 117.4(5) . .
C7 N1 V1 125.5(4) . .
C8 N1 V1 114.9(4) . .
C20 N2 C21 117.7(6) . .
C20 N2 V2 125.4(4) . .
C21 N2 V2 114.4(4) . .
C33 N3 C34 117.7(5) . .
C33 N3 V3 124.5(4) . .
C34 N3 V3 115.1(3) . .
C46 N4 C47 117.8(6) . .
C46 N4 V4 125.1(4) . .
C47 N4 V4 114.9(4) . .
C72 N5 C73 117.9(5) . .
C72 N5 V7 125.4(4) . .
C73 N5 V7 114.8(4) . .
C59 N6 C60 116.7(5) . .
C59 N6 V6 124.6(4) . .
C60 N6 V6 115.7(3) . .
C79 N7 Ag2 180.000(5) . .
C93 N14 Ag1 164.5(8) . .
C1 O9 V1 133.7(4) . .
C13 O10 Ag1 109.0(4) . .
C13 O11 V1 125.5(4) . .
V2 O12 V5 113.5(2) . .
V2 O12 V1 148.6(2) . .
V5 O12 V1 90.56(17) . .
C14 O13 V2 131.1(4) . .
C26 O15 V2 125.8(4) . .
V3 O16 V5 112.1(2) . .
V3 O16 V2 146.4(2) . .
V5 O16 V2 89.37(16) . .
C27 O17 V3 130.6(4) . .
C39 O18 Ag1 109.2(4) . .
C39 O19 V3 124.4(3) . .
V4 O20 V5 111.9(2) . .
V4 O20 V3 147.5(2) . .
V5 O20 V3 89.35(16) . .
C40 O21 V4 135.3(4) . .
C52 O23 V4 125.7(4) . .
V1 O24 V5 112.7(2) . .
V1 O24 V4 147.9(2) . .
V5 O24 V4 90.69(17) . .
C53 O25 V6 133.2(4) . .
C65 O26 Ag2 107.6(4) . .
C65 O27 V6 126.0(4) . .
V7 O28 V8 111.7(2) . .
V7 O28 V6 148.8(2) . .
V8 O28 V6 90.78(13) . .
C66 O29 V7 131.0(4) . .
C78 O30 Ag2 103.9(4) . .
C78 O31 V7 124.6(4) . .
V6 O32 V8 111.72(16) . .
V6 O32 V7 149.2(2) . 2_757
V8 O32 V7 89.35(15) . 2_757
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O9 1.303(8) .
C1 C2 1.410(10) .
C1 C6 1.428(9) .
C2 C3 1.371(12) .
C2 Cl1 1.738(7) .
C3 C4 1.366(12) .
C3 H3 0.9300 .
C4 C5 1.366(11) .
C4 Cl2 1.772(9) .
C5 C6 1.371(11) .
C5 H5 0.9300 .
C6 C7 1.451(10) .
C7 N1 1.287(9) .
C7 H7 0.9300 .
C8 N1 1.482(8) .
C8 C13 1.526(10) .
C8 C9 1.553(10) .
C8 H8 0.9800 .
C9 C11 1.493(11) .
C9 C12 1.515(10) .
C9 C10 1.547(13) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 O10 1.210(8) .
C13 O11 1.309(8) .
C14 O13 1.329(8) .
C14 C19 1.396(10) .
C14 C15 1.416(9) .
C15 C16 1.379(11) .
C15 Cl3 1.726(8) .
C16 C17 1.391(12) .
C16 H16 0.9300 .
C17 C18 1.383(11) .
C17 Cl4 1.748(8) .
C18 C19 1.403(10) .
C18 H18 0.9300 .
C19 C20 1.444(9) .
C20 N2 1.289(9) .
C20 H20 0.9300 .
C21 N2 1.492(8) .
C21 C26 1.514(10) .
C21 C22 1.574(8) .
C21 H21 0.9800 .
C22 C25 1.530(11) .
C22 C24 1.542(10) .
C22 C23 1.541(12) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 O14 1.222(8) .
C26 O15 1.305(8) .
C27 O17 1.339(7) .
C27 C28 1.407(9) .
C27 C32 1.424(9) .
C28 C29 1.397(9) .
C28 Cl5 1.712(7) .
C29 C30 1.406(10) .
C29 H29 0.9300 .
C30 C31 1.383(9) .
C30 Cl6 1.742(6) .
C31 C32 1.411(8) .
C31 H31 0.9300 .
C32 C33 1.437(9) .
C33 N3 1.282(7) .
C33 H33 0.9300 .
C34 N3 1.485(7) .
C34 C39 1.525(8) .
C34 C35 1.573(8) .
C34 H34 0.9800 .
C35 C37 1.525(9) .
C35 C36 1.532(8) .
C35 C38 1.547(9) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 O18 1.232(7) .
C39 O19 1.318(8) .
C40 O21 1.290(8) .
C40 C41 1.419(9) .
C40 C45 1.434(9) .
C41 C42 1.359(10) .
C41 Cl7 1.725(7) .
C42 C43 1.410(11) .
C42 H42 0.9300 .
C43 C44 1.379(10) .
C43 Cl8 1.732(7) .
C44 C45 1.413(9) .
C44 H44 0.9300 .
C45 C46 1.448(9) .
C46 N4 1.292(8) .
C46 H46 0.9300 .
C47 N4 1.473(8) .
C47 C52 1.532(9) .
C47 C48 1.559(9) .
C47 H47 0.9800 .
C48 C49 1.534(11) .
C48 C50 1.535(10) .
C48 C51 1.542(12) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 O22 1.225(7) .
C52 O23 1.311(8) .
C53 O25 1.333(7) .
C53 C58 1.401(8) .
C53 C54 1.406(9) .
C54 C55 1.372(9) .
C54 Cl9 1.730(6) .
C55 C56 1.402(9) .
C55 H55 0.9300 .
C56 C57 1.356(10) .
C56 Cl10 1.755(6) .
C57 C58 1.403(8) .
C57 H57 0.9300 .
C58 C59 1.448(9) .
C59 N6 1.289(7) .
C59 H59 0.9300 .
C60 N6 1.490(8) .
C60 C65 1.521(8) .
C60 C61 1.576(9) .
C60 H60 0.9800 .
C61 C64 1.516(9) .
C61 C62 1.537(9) .
C61 C63 1.560(10) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 O26 1.211(8) .
C65 O27 1.326(7) .
C66 O29 1.328(8) .
C66 C71 1.397(9) .
C66 C67 1.410(10) .
C67 C68 1.385(10) .
C67 Cl11 1.723(7) .
C68 C69 1.399(11) .
C68 H68 0.9300 .
C69 C70 1.386(11) .
C69 Cl12 1.758(7) .
C70 C71 1.422(9) .
C70 H70 0.9300 .
C71 C72 1.452(10) .
C72 N5 1.283(8) .
C72 H72 0.9300 .
C73 N5 1.472(8) .
C73 C78 1.523(9) .
C73 C74 1.591(8) .
C73 H73 0.9800 .
C74 C77 1.502(11) .
C74 C75 1.531(11) .
C74 C76 1.578(13) .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 O30 1.229(8) .
C78 O31 1.300(8) .
C79 N7 1.135(14) .
C79 C80 1.475(17) .
C80 H80A 0.9697 .
C80 H80B 0.9697 .
C80 H80C 0.9697 .
C81 N8 1.146(12) .
C81 C82 1.424(14) .
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
C83 C84 1.107(11) .
C83 N9 1.453(12) .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 N10 1.162(12) .
C85 C86 1.407(14) .
C86 H86A 0.9600 .
C86 H86B 0.9600 .
C86 H86C 0.9600 .
C87 N11 1.169(15) .
C87 C88 1.401(16) .
C88 H88A 0.9600 .
C88 H88B 0.9600 .
C88 H88C 0.9600 .
C89 N12 1.187(15) .
C89 C90 1.405(17) .
C90 H90A 0.9600 .
C90 H90B 0.9600 .
C90 H90C 0.9600 .
C91 N13 1.133(12) .
C91 C92 1.441(15) .
C92 H92A 0.9600 .
C92 H92B 0.9600 .
C92 H92C 0.9600 .
C93 N14 1.153(10) .
C93 C94 1.440(11) .
C94 H94A 0.9600 .
C94 H94B 0.9600 .
C94 H94C 0.9600 .
C95 N15 1.133(12) .
C95 C96 1.420(13) .
C96 H96A 0.9600 .
C96 H96B 0.9600 .
C96 H96C 0.9600 .
C97 N16 1.164(13) .
C97 C98 1.417(16) .
C98 H98A 0.9600 .
C98 H98B 0.9600 .
C98 H98C 0.9600 .
C99 N17 1.129(13) .
C99 C100 1.469(15) .
C100 H10D 0.9600 .
C100 H10E 0.9600 .
C100 H10F 0.9600 .
C101 N18 1.10(2) .
C101 C102 1.34(2) .
C102 H10G 0.9600 .
C102 H10H 0.9600 .
C102 H10I 0.9600 .
C103 N19 1.22(2) .
C103 C104 1.31(2) .
C104 H10J 0.9600 .
C104 H10K 0.9600 .
C104 H10L 0.9600 .
C105 N20 1.060(18) .
C105 C106 1.57(3) .
C106 H10M 0.9600 .
C106 H10N 0.9600 .
C106 H10O 0.9600 .
C107 N21 1.108(15) .
C107 C108 1.438(17) .
C108 H10P 0.9600 .
C108 H10Q 0.9600 .
C108 H10R 0.9600 .
Ag1 N14 2.421(7) .
Ag1 O18 2.435(4) .
Ag1 O10 2.449(5) .
Ag2 N7 2.378(10) .
Ag2 O26 2.539(4) .
Ag2 O26 2.539(4) 2_757
Ag2 O30 2.572(5) 2_757
Ag2 O30 2.572(5) .
V1 O1 1.597(5) .
V1 O24 1.796(4) .
V1 O9 1.869(5) .
V1 O11 1.933(4) .
V1 N1 2.126(5) .
V1 O12 2.405(5) .
V1 V5 3.0659(15) .
V2 O2 1.597(4) .
V2 O12 1.799(4) .
V2 O13 1.857(5) .
V2 O15 1.926(5) .
V2 N2 2.131(5) .
V2 O16 2.462(4) .
V2 V5 3.0756(13) .
V3 O3 1.594(4) .
V3 O16 1.809(4) .
V3 O17 1.854(4) .
V3 O19 1.929(4) .
V3 N3 2.130(5) .
V3 O20 2.440(4) .
V3 V5 3.0526(14) .
V4 O4 1.599(5) .
V4 O20 1.811(4) .
V4 O21 1.858(4) .
V4 O23 1.921(4) .
V4 N4 2.132(6) .
V4 O24 2.367(4) .
V4 V5 3.0447(14) .
V5 O5 1.587(4) .
V5 O20 1.863(4) .
V5 O16 1.871(4) .
V5 O12 1.877(4) .
V5 O24 1.887(4) .
V6 O6 1.582(4) .
V6 O32 1.806(4) .
V6 O25 1.860(4) .
V6 O27 1.921(5) .
V6 N6 2.125(4) .
V6 O28 2.383(4) .
V6 V8 3.0519(11) .
V7 O7 1.587(4) .
V7 O28 1.797(4) .
V7 O29 1.830(4) .
V7 O31 1.926(5) .
V7 N5 2.120(5) .
V7 O32 2.409(4) 2_757
V7 V8 3.0398(10) .
V8 O8 1.595(6) .
V8 O28 1.875(4) .
V8 O28 1.875(4) 2_757
V8 O32 1.881(4) 2_757
V8 O32 1.881(4) .
V8 V7 3.0399(10) 2_757
V8 V6 3.0520(11) 2_757
O32 V7 2.410(4) 2_757
