#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:59:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179550 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/19/4501948.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_4501948
loop_
_publ_author_name
'Zhang, Qian'
'Zhang, Jianyong'
'Yu, Qiong-Yan'
'Pan, Mei'
'Su, Cheng-Yong'
_publ_section_title
;
 Ring-Opening Isomerization Based on the 3-Connecting Node: Formation of a
 0-D M2L3Cage, 1-D Loop-and-Chain, and 2-D (6, 3) Network
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4076
_journal_paper_doi               10.1021/cg100742c
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C106 H105 Ag4 Cl4 N19 O16'
_chemical_formula_weight         2474.37
_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                 121.969(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   39.172(3)
_cell_length_b                   9.9604(9)
_cell_length_c                   34.221(3)
_cell_measurement_temperature    293(2)
_cell_volume                     11326.9(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  Bruker
_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  0.0893
_diffrn_reflns_av_sigmaI/netI    0.1031
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            30749
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.845
_exptl_absorpt_correction_T_max  0.8767
_exptl_absorpt_correction_T_min  0.8229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             5032
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.594
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     747
_refine_ls_number_reflns         9684
_refine_ls_number_restraints     274
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.1695
_refine_ls_R_factor_gt           0.0886
_refine_ls_shift/su_max          0.065
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0851P)²+105.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1889
_refine_ls_wR_factor_ref         0.2277
_reflns_number_gt                4893
_reflns_number_total             9684
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100742c_si_001.cif
_cod_data_source_block           2R
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        11327.0(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4501948
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.141087(16) 0.86114(6) 0.21666(2) 0.06500(19) Uani 1 1 d . . .
Ag2 Ag 0.126974(17) 0.93781(7) -0.00449(2) 0.0749(2) Uani 1 1 d . . .
N1 N 0.10376(16) 1.0232(7) 0.2059(2) 0.064(2) Uani 1 1 d . E .
N2 N 0.05656(16) 1.1810(6) 0.1696(2) 0.0652(19) Uani 1 1 d . E .
N3 N 0.03163(15) 1.2114(6) -0.03629(19) 0.0571(18) Uani 1 1 d . E .
N4 N 0.07722(16) 1.0692(6) -0.0319(2) 0.0637(19) Uani 1 1 d . . .
N5 N 0.18326(15) 0.7062(6) 0.23868(19) 0.0564(18) Uani 1 1 d . E .
N6 N 0.22402(15) 0.5464(6) 0.2411(2) 0.0605(19) Uani 1 1 d . E .
N7 N 0.22611(15) 0.6680(7) 0.0611(2) 0.068(2) Uani 1 1 d . E .
N8 N 0.18165(17) 0.8302(7) 0.0251(2) 0.072(2) Uani 1 1 d . E .
C1 C 0.0814(2) 1.0920(8) 0.1673(3) 0.065(2) Uani 1 1 d . . .
H1A H 0.0827 1.0801 0.1412 0.078 Uiso 1 1 calc R E .
C2 C 0.0923(2) 1.0715(8) 0.2352(3) 0.064(2) Uani 1 1 d . . .
C3 C 0.1060(2) 1.0362(9) 0.2810(3) 0.085(3) Uani 1 1 d . E .
H3A H 0.1256 0.9708 0.2962 0.102 Uiso 1 1 calc R . .
C4 C 0.0896(3) 1.1003(10) 0.3027(3) 0.095(3) Uani 1 1 d . . .
H4A H 0.0983 1.0784 0.3330 0.113 Uiso 1 1 calc R E .
C5 C 0.0600(3) 1.1978(11) 0.2799(3) 0.100(3) Uani 1 1 d . E .
H5A H 0.0495 1.2399 0.2956 0.121 Uiso 1 1 calc R . .
C6 C 0.0455(2) 1.2347(9) 0.2344(3) 0.082(3) Uani 1 1 d . . .
H6A H 0.0256 1.2995 0.2193 0.098 Uiso 1 1 calc R E .
C7 C 0.0625(2) 1.1692(8) 0.2129(3) 0.063(2) Uani 1 1 d . E .
C8 C 0.02628(19) 1.2666(9) 0.1321(3) 0.072(3) Uani 1 1 d . . .
H8A H 0.0196 1.3403 0.1454 0.086 Uiso 1 1 calc R E .
H8B H 0.0020 1.2145 0.1133 0.086 Uiso 1 1 calc R . .
C9 C 0.03977(19) 1.3231(7) 0.1016(3) 0.055(2) Uani 1 1 d . E .
C10 C 0.0677(2) 1.4251(8) 0.1172(3) 0.069(3) Uani 1 1 d . . .
C11 C 0.0791(2) 1.4794(8) 0.0893(3) 0.075(3) Uani 1 1 d . E .
H11A H 0.0988 1.5458 0.1011 0.090 Uiso 1 1 calc R . .
C12 C 0.06276(19) 1.4401(7) 0.0449(3) 0.066(2) Uani 1 1 d . . .
C13 C 0.03288(19) 1.3399(8) 0.0273(3) 0.064(2) Uani 1 1 d . E .
C14 C 0.02304(19) 1.2762(7) 0.0566(3) 0.059(2) Uani 1 1 d . . .
C15 C 0.06598(19) 1.1428(8) -0.0085(3) 0.062(2) Uani 1 1 d . . .
H15A H 0.0801 1.1469 0.0235 0.074 Uiso 1 1 calc R . .
C16 C 0.0198(2) 1.1780(8) -0.0805(3) 0.059(2) Uani 1 1 d . . .
C17 C -0.0132(2) 1.2177(10) -0.1226(3) 0.082(3) Uani 1 1 d . . .
H17A H -0.0320 1.2787 -0.1245 0.098 Uiso 1 1 calc R . .
C18 C -0.0165(3) 1.1630(11) -0.1605(3) 0.096(4) Uani 1 1 d . . .
H18A H -0.0385 1.1872 -0.1891 0.115 Uiso 1 1 calc R . .
C19 C 0.0112(3) 1.0720(11) -0.1591(3) 0.098(4) Uani 1 1 d . . .
H19A H 0.0075 1.0372 -0.1863 0.117 Uiso 1 1 calc R . .
C20 C 0.0440(2) 1.0340(9) -0.1174(3) 0.076(3) Uani 1 1 d . . .
H20A H 0.0628 0.9733 -0.1156 0.092 Uiso 1 1 calc R . .
C21 C 0.0479(2) 1.0905(8) -0.0778(3) 0.062(2) Uani 1 1 d . . .
C22 C 0.1953(2) 0.6354(8) 0.2154(3) 0.061(2) Uani 1 1 d . . .
H22A H 0.1846 0.6467 0.1840 0.073 Uiso 1 1 calc R E .
C23 C 0.23258(19) 0.5572(7) 0.2856(2) 0.054(2) Uani 1 1 d . . .
C24 C 0.2601(2) 0.4927(9) 0.3259(3) 0.073(3) Uani 1 1 d . E .
H24A H 0.2775 0.4278 0.3267 0.088 Uiso 1 1 calc R . .
C25 C 0.2603(2) 0.5291(10) 0.3642(3) 0.082(3) Uani 1 1 d . . .
H25A H 0.2784 0.4875 0.3920 0.098 Uiso 1 1 calc R E .
C26 C 0.2346(3) 0.6251(11) 0.3638(3) 0.090(3) Uani 1 1 d . E .
H26A H 0.2354 0.6435 0.3909 0.108 Uiso 1 1 calc R . .
C27 C 0.2077(2) 0.6949(9) 0.3240(3) 0.075(3) Uani 1 1 d . . .
H27A H 0.1914 0.7628 0.3239 0.090 Uiso 1 1 calc R E .
C28 C 0.20673(19) 0.6564(8) 0.2836(2) 0.057(2) Uani 1 1 d . E .
C29 C 0.2444(2) 0.4504(9) 0.2275(3) 0.082(3) Uani 1 1 d . . .
H29A H 0.2446 0.3628 0.2400 0.098 Uiso 1 1 calc R E .
H29B H 0.2721 0.4783 0.2409 0.098 Uiso 1 1 calc R . .
C30 C 0.2245(2) 0.4379(8) 0.1751(3) 0.068(2) Uani 1 1 d . E .
C31 C 0.1922(2) 0.3451(8) 0.1524(3) 0.075(3) Uani 1 1 d . . .
C32 C 0.1780(2) 0.3212(9) 0.1066(3) 0.078(3) Uani 1 1 d . E .
H32A H 0.1567 0.2612 0.0909 0.093 Uiso 1 1 calc R . .
C33 C 0.1927(2) 0.3787(9) 0.0831(3) 0.075(3) Uani 1 1 d . . .
C34 C 0.2243(2) 0.4739(8) 0.1061(3) 0.070(2) Uani 1 1 d . E .
C35 C 0.2395(2) 0.5039(8) 0.1521(3) 0.065(2) Uani 1 1 d . . .
C36 C 0.2432(2) 0.5355(9) 0.0819(3) 0.083(3) Uani 1 1 d . . .
H36A H 0.2719 0.5456 0.1037 0.100 Uiso 1 1 calc R E .
H36B H 0.2397 0.4749 0.0578 0.100 Uiso 1 1 calc R . .
C37 C 0.1886(2) 0.7108(8) 0.0442(3) 0.069(3) Uani 1 1 d . . .
H37A H 0.1692 0.6611 0.0457 0.083 Uiso 1 1 calc R E .
C38 C 0.2177(2) 0.8734(8) 0.0310(2) 0.060(2) Uani 1 1 d . . .
C39 C 0.2282(2) 0.9890(9) 0.0185(3) 0.083(3) Uani 1 1 d . E .
H39A H 0.2091 1.0554 0.0025 0.099 Uiso 1 1 calc R . .
C40 C 0.2666(3) 1.0063(12) 0.0296(3) 0.104(3) Uani 1 1 d . . .
H40A H 0.2742 1.0870 0.0228 0.125 Uiso 1 1 calc R E .
C41 C 0.2941(3) 0.9063(12) 0.0508(3) 0.108(4) Uani 1 1 d . E .
H41A H 0.3197 0.9197 0.0562 0.130 Uiso 1 1 calc R . .
C42 C 0.2861(2) 0.7832(11) 0.0651(3) 0.087(3) Uani 1 1 d . . .
H42 H 0.3054 0.7170 0.0808 0.104 Uiso 1 1 calc R E .
C43 C 0.2456(2) 0.7713(9) 0.0529(3) 0.068(2) Uani 1 1 d . E .
C44 C 0.1752(3) 0.2702(10) 0.1765(3) 0.097(3) Uani 1 1 d . E .
H44A H 0.1537 0.2129 0.1548 0.146 Uiso 1 1 calc R . .
H44B H 0.1651 0.3331 0.1891 0.146 Uiso 1 1 calc R . .
H44C H 0.1960 0.2167 0.2008 0.146 Uiso 1 1 calc R . .
C45 C 0.1756(3) 0.3409(11) 0.0326(3) 0.110(4) Uani 1 1 d . E .
H45A H 0.1544 0.2764 0.0230 0.165 Uiso 1 1 calc R . .
H45B H 0.1966 0.3029 0.0295 0.165 Uiso 1 1 calc R . .
H45C H 0.1652 0.4198 0.0138 0.165 Uiso 1 1 calc R . .
C46 C 0.2719(2) 0.6094(9) 0.1768(4) 0.094(4) Uani 1 1 d . E .
H46A H 0.2793 0.6447 0.1562 0.141 Uiso 1 1 calc R . .
H46B H 0.2950 0.5696 0.2030 0.141 Uiso 1 1 calc R . .
H46C H 0.2619 0.6807 0.1869 0.141 Uiso 1 1 calc R . .
C47 C -0.0064(2) 1.1572(8) 0.0383(3) 0.085(3) Uani 1 1 d . E .
H47A H -0.0149 1.1401 0.0068 0.127 Uiso 1 1 calc R . .
H47B H -0.0295 1.1783 0.0401 0.127 Uiso 1 1 calc R . .
H47C H 0.0067 1.0789 0.0565 0.127 Uiso 1 1 calc R . .
C48 C 0.0756(2) 1.5056(10) 0.0157(3) 0.100(3) Uani 1 1 d . E .
H48A H 0.0960 1.5713 0.0336 0.150 Uiso 1 1 calc R . .
H48B H 0.0529 1.5488 -0.0100 0.150 Uiso 1 1 calc R . .
H48C H 0.0862 1.4391 0.0046 0.150 Uiso 1 1 calc R . .
C49 C 0.0878(3) 1.4796(11) 0.1678(3) 0.103(4) Uani 1 1 d . E .
H49A H 0.1063 1.5503 0.1725 0.155 Uiso 1 1 calc R . .
H49B H 0.1020 1.4081 0.1892 0.155 Uiso 1 1 calc R . .
H49C H 0.0674 1.5138 0.1725 0.155 Uiso 1 1 calc R . .
C54 C 0.0111(2) 1.3077(9) -0.0231(3) 0.074(3) Uani 1 1 d . . .
H54A H -0.0152 1.2721 -0.0325 0.089 Uiso 1 1 calc R E .
H54B H 0.0070 1.3905 -0.0400 0.089 Uiso 1 1 calc R . .
Cl1 Cl 0.11941(6) 0.8758(2) 0.09933(8) 0.0787(7) Uani 1 1 d D A 1
O1 O 0.1579(3) 0.8081(11) 0.1242(4) 0.171(6) Uani 0.60 1 d PDU A 1
O2 O 0.0983(2) 0.8151(11) 0.1202(3) 0.135(4) Uani 0.60 1 d PDU A 1
O3 O 0.1240(3) 1.0134(8) 0.1031(4) 0.137(5) Uani 0.60 1 d PDU A 1
O4 O 0.1015(3) 0.8244(11) 0.0519(3) 0.129(4) Uani 0.60 1 d PDU A 1
O1' O 0.1334(5) 0.7786(19) 0.0834(7) 0.155(6) Uani 0.40 1 d PDU B 2
O2' O 0.0793(4) 0.880(2) 0.0849(7) 0.144(6) Uani 0.40 1 d PDU C 2
O3' O 0.1310(6) 1.0016(18) 0.0800(6) 0.146(7) Uani 0.40 1 d PDU D 2
O4' O 0.1497(5) 0.906(2) 0.1494(6) 0.150(7) Uani 0.40 1 d PDU E 2
Cl2 Cl 0.08706(9) 0.6409(4) 0.91389(13) 0.0985(12) Uani 0.70 1 d PU F 1
O5 O 0.0611(4) 0.5968(17) 0.8831(6) 0.204(6) Uani 0.70 1 d PU F 1
O6 O 0.1091(4) 0.7352(17) 0.9026(5) 0.175(5) Uani 0.70 1 d PU F 1
O7 O 0.0775(2) 0.7223(10) 0.9389(3) 0.101(3) Uani 0.70 1 d PU F 1
O8 O 0.1152(3) 0.5495(11) 0.9415(4) 0.118(4) Uani 0.70 1 d PU F 1
Cl3 Cl 0.0000 0.3628(11) 0.7500 0.300 Uiso 0.60 2 d SPDU . 2
O12 O 0.0342(4) 0.266(2) 0.7640(10) 0.299(5) Uani 0.30 1 d PDU . 2
O11 O 0.0139(8) 0.435(2) 0.7934(5) 0.263(5) Uani 0.30 1 d PDU . 2
O10 O -0.0313(5) 0.253(2) 0.7348(12) 0.300 Uiso 0.30 1 d PDU . 2
O9 O -0.0167(6) 0.4355(19) 0.7054(5) 0.117(6) Uiso 0.30 1 d PDU . 2
N1W N 0.1026(5) 0.3619(11) 0.7662(5) 0.109(6) Uani 0.50 1 d PDU . .
C1W C 0.1164(5) 0.4413(13) 0.7869(6) 0.099(5) Uani 0.50 1 d PDU . .
C2W C 0.1371(5) 0.5518(16) 0.8134(7) 0.120(7) Uani 0.50 1 d PDU . .
H2W1 H 0.1480 0.6015 0.7984 0.180 Uiso 0.50 1 calc PR . .
H2W2 H 0.1586 0.5226 0.8431 0.180 Uiso 0.50 1 calc PR . .
H2W3 H 0.1190 0.6082 0.8170 0.180 Uiso 0.50 1 calc PR . .
N2W N 0.1743(2) 1.1489(14) -0.1062(4) 0.197(6) Uani 1 1 d DU . .
C3W C 0.1551(2) 1.1839(13) -0.0985(4) 0.120(3) Uani 1 1 d DU . .
C4W C 0.1236(4) 1.2518(17) -0.1027(6) 0.198(6) Uani 1 1 d DU . .
H4W1 H 0.1332 1.3219 -0.0800 0.297 Uiso 1 1 calc R . .
H4W2 H 0.1069 1.1915 -0.0981 0.297 Uiso 1 1 calc R . .
H4W3 H 0.1082 1.2905 -0.1329 0.297 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N1 Ag1 N5 170.8(2) . .
N1 Ag1 O4' 96.9(5) . .
N5 Ag1 O4' 89.9(5) . .
N4 Ag2 N8 172.1(2) . .
C1 N1 C2 104.2(6) . .
C1 N1 Ag1 127.7(6) . .
C2 N1 Ag1 127.5(5) . .
C1 N2 C7 106.9(6) . .
C1 N2 C8 127.1(7) . .
C7 N2 C8 125.8(7) . .
C15 N3 C16 106.4(7) . .
C15 N3 C54 128.1(6) . .
C16 N3 C54 125.4(6) . .
C15 N4 C21 105.0(6) . .
C15 N4 Ag2 126.8(5) . .
C21 N4 Ag2 128.0(6) . .
C22 N5 C28 103.7(6) . .
C22 N5 Ag1 129.9(5) . .
C28 N5 Ag1 126.3(5) . .
C22 N6 C23 107.6(7) . .
C22 N6 C29 129.4(7) . .
C23 N6 C29 123.0(6) . .
C37 N7 C43 105.7(6) . .
C37 N7 C36 127.6(7) . .
C43 N7 C36 126.6(6) . .
C37 N8 C38 106.4(6) . .
C37 N8 Ag2 125.9(5) . .
C38 N8 Ag2 127.6(5) . .
N1 C1 N2 113.5(8) . .
N1 C1 H1A 123.2 . .
N2 C1 H1A 123.2 . .
N1 C2 C7 110.1(7) . .
N1 C2 C3 130.0(7) . .
C7 C2 C3 119.9(8) . .
C4 C3 C2 118.5(8) . .
C4 C3 H3A 120.8 . .
C2 C3 H3A 120.8 . .
C3 C4 C5 120.8(10) . .
C3 C4 H4A 119.6 . .
C5 C4 H4A 119.6 . .
C4 C5 C6 122.3(10) . .
C4 C5 H5A 118.8 . .
C6 C5 H5A 118.8 . .
C7 C6 C5 116.2(8) . .
C7 C6 H6A 121.9 . .
C5 C6 H6A 121.9 . .
N2 C7 C6 132.4(7) . .
N2 C7 C2 105.2(7) . .
C6 C7 C2 122.4(8) . .
N2 C8 C9 113.8(6) . .
N2 C8 H8A 108.8 . .
C9 C8 H8A 108.8 . .
N2 C8 H8B 108.8 . .
C9 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
C10 C9 C14 119.0(8) . .
C10 C9 C8 120.5(7) . .
C14 C9 C8 120.5(7) . .
C11 C10 C9 120.8(8) . .
C11 C10 C49 118.4(8) . .
C9 C10 C49 120.8(9) . .
C12 C11 C10 122.3(8) . .
C12 C11 H11A 118.9 . .
C10 C11 H11A 118.9 . .
C11 C12 C13 118.5(8) . .
C11 C12 C48 119.9(7) . .
C13 C12 C48 121.6(8) . .
C14 C13 C12 119.6(7) . .
C14 C13 C54 121.5(7) . .
C12 C13 C54 118.8(8) . .
C9 C14 C13 119.5(7) . .
C9 C14 C47 121.3(8) . .
C13 C14 C47 119.1(7) . .
N4 C15 N3 112.4(7) . .
N4 C15 H15A 123.8 . .
N3 C15 H15A 123.8 . .
C21 C16 N3 106.9(6) . .
C21 C16 C17 121.8(8) . .
N3 C16 C17 131.3(8) . .
C18 C17 C16 116.3(9) . .
C18 C17 H17A 121.8 . .
C16 C17 H17A 121.8 . .
C17 C18 C19 123.6(8) . .
C17 C18 H18A 118.2 . .
C19 C18 H18A 118.2 . .
C20 C19 C18 119.8(10) . .
C20 C19 H19A 120.1 . .
C18 C19 H19A 120.1 . .
C19 C20 C21 117.2(9) . .
C19 C20 H20A 121.4 . .
C21 C20 H20A 121.4 . .
C16 C21 N4 109.3(7) . .
C16 C21 C20 121.3(7) . .
N4 C21 C20 129.4(7) . .
N5 C22 N6 113.8(7) . .
N5 C22 H22A 123.1 . .
N6 C22 H22A 123.1 . .
C24 C23 N6 132.2(8) . .
C24 C23 C28 122.9(8) . .
N6 C23 C28 104.9(6) . .
C25 C24 C23 116.3(8) . .
C25 C24 H24A 121.8 . .
C23 C24 H24A 121.8 . .
C24 C25 C26 122.8(8) . .
C24 C25 H25A 118.6 . .
C26 C25 H25A 118.6 . .
C25 C26 C27 121.8(9) . .
C25 C26 H26A 119.1 . .
C27 C26 H26A 119.1 . .
C26 C27 C28 115.9(9) . .
C26 C27 H27A 122.1 . .
C28 C27 H27A 122.1 . .
C23 C28 N5 110.1(7) . .
C23 C28 C27 120.2(7) . .
N5 C28 C27 129.7(7) . .
N6 C29 C30 113.4(6) . .
N6 C29 H29A 108.9 . .
C30 C29 H29A 108.9 . .
N6 C29 H29B 108.9 . .
C30 C29 H29B 108.9 . .
H29A C29 H29B 107.7 . .
C35 C30 C31 121.6(8) . .
C35 C30 C29 121.7(7) . .
C31 C30 C29 116.5(8) . .
C32 C31 C30 116.2(9) . .
C32 C31 C44 120.5(8) . .
C30 C31 C44 123.2(8) . .
C33 C32 C31 124.4(8) . .
C33 C32 H32A 117.8 . .
C31 C32 H32A 117.8 . .
C32 C33 C34 118.5(8) . .
C32 C33 C45 120.1(8) . .
C34 C33 C45 121.3(9) . .
C35 C34 C33 119.8(9) . .
C35 C34 C36 119.7(7) . .
C33 C34 C36 120.3(8) . .
C30 C35 C34 119.4(7) . .
C30 C35 C46 119.8(8) . .
C34 C35 C46 120.8(9) . .
N7 C36 C34 113.4(7) . .
N7 C36 H36A 108.9 . .
C34 C36 H36A 108.9 . .
N7 C36 H36B 108.9 . .
C34 C36 H36B 108.9 . .
H36A C36 H36B 107.7 . .
N8 C37 N7 113.3(7) . .
N8 C37 H37A 123.3 . .
N7 C37 H37A 123.3 . .
C39 C38 C43 120.5(7) . .
C39 C38 N8 131.9(7) . .
C43 C38 N8 107.6(7) . .
C40 C39 C38 119.6(9) . .
C40 C39 H39A 120.2 . .
C38 C39 H39A 120.2 . .
C39 C40 C41 120.3(11) . .
C39 C40 H40A 119.8 . .
C41 C40 H40A 119.8 . .
C40 C41 C42 124.1(10) . .
C40 C41 H41A 117.9 . .
C42 C41 H41A 117.9 . .
C43 C42 C41 112.9(9) . .
C43 C42 H42 123.5 . .
C41 C42 H42 123.5 . .
C38 C43 N7 107.0(6) . .
C38 C43 C42 122.5(9) . .
N7 C43 C42 130.5(8) . .
C31 C44 H44A 109.5 . .
C31 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C31 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C33 C45 H45A 109.5 . .
C33 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C33 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C35 C46 H46A 109.5 . .
C35 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C35 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C14 C47 H47A 109.5 . .
C14 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C14 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C12 C48 H48A 109.5 . .
C12 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C12 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C10 C49 H49A 109.5 . .
C10 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C10 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N3 C54 C13 115.0(6) . .
N3 C54 H54A 108.5 . .
C13 C54 H54A 108.5 . .
N3 C54 H54B 108.5 . .
C13 C54 H54B 108.5 . .
H54A C54 H54B 107.5 . .
O3 Cl1 O1 111.4(6) . .
O3 Cl1 O2 116.2(7) . .
O1 Cl1 O2 101.5(6) . .
O3 Cl1 O4 114.1(6) . .
O1 Cl1 O4 103.0(6) . .
O2 Cl1 O4 109.1(6) . .
O5 Cl2 O8 113.6(10) . .
O5 Cl2 O7 114.5(10) . .
O8 Cl2 O7 110.7(7) . .
O5 Cl2 O6 112.5(13) . .
O8 Cl2 O6 103.9(7) . .
O7 Cl2 O6 100.4(9) . .
O11 Cl3 O11 121(2) . 2_556
O11 Cl3 O9 3.7(16) . 2_556
O11 Cl3 O9 121.5(13) 2_556 2_556
O11 Cl3 O9 121.5(13) . .
O11 Cl3 O9 3.7(16) 2_556 .
O9 Cl3 O9 121.9(17) 2_556 .
O11 Cl3 O12 101.6(13) . .
O11 Cl3 O12 115.1(18) 2_556 .
O9 Cl3 O12 98.7(14) 2_556 .
O9 Cl3 O12 118.1(16) . .
O11 Cl3 O12 115.1(18) . 2_556
O11 Cl3 O12 101.6(13) 2_556 2_556
O9 Cl3 O12 118.1(16) 2_556 2_556
O9 Cl3 O12 98.7(14) . 2_556
O12 Cl3 O12 100.5(18) . 2_556
O11 Cl3 O10 120.0(18) . .
O11 Cl3 O10 102.0(15) 2_556 .
O9 Cl3 O10 122.7(18) 2_556 .
O9 Cl3 O10 99.4(13) . .
O12 Cl3 O10 93.8(12) . .
O12 Cl3 O10 7.4(18) 2_556 .
O11 Cl3 O10 102.0(15) . 2_556
O11 Cl3 O10 120.0(18) 2_556 2_556
O9 Cl3 O10 99.4(13) 2_556 2_556
O9 Cl3 O10 122.7(18) . 2_556
O12 Cl3 O10 7.4(18) . 2_556
O12 Cl3 O10 93.8(12) 2_556 2_556
O10 Cl3 O10 87.3(18) . 2_556
O10 O12 Cl3 88(6) 2_556 .
O9 O11 Cl3 100(10) 2_556 .
O12 O10 Cl3 84(6) 2_556 .
O11 O9 Cl3 77(10) 2_556 .
N1W C1W C2W 175(3) . .
C1W C2W H2W1 109.5 . .
C1W C2W H2W2 109.5 . .
H2W1 C2W H2W2 109.5 . .
C1W C2W H2W3 109.5 . .
H2W1 C2W H2W3 109.5 . .
H2W2 C2W H2W3 109.5 . .
N2W C3W C4W 159.5(17) . .
C3W C4W H4W1 109.5 . .
C3W C4W H4W2 109.5 . .
H4W1 C4W H4W2 109.5 . .
C3W C4W H4W3 109.5 . .
H4W1 C4W H4W3 109.5 . .
H4W2 C4W H4W3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.076(6) .
Ag1 N5 2.088(6) .
Ag1 O4' 2.54(2) .
Ag2 N4 2.111(6) .
Ag2 N8 2.113(6) .
N1 C1 1.324(9) .
N1 C2 1.386(11) .
N2 C1 1.349(10) .
N2 C7 1.380(11) .
N2 C8 1.473(9) .
N3 C15 1.352(8) .
N3 C16 1.369(10) .
N3 C54 1.467(11) .
N4 C15 1.322(11) .
N4 C21 1.385(9) .
N5 C22 1.323(10) .
N5 C28 1.400(9) .
N6 C22 1.334(9) .
N6 C23 1.381(10) .
N6 C29 1.470(11) .
N7 C37 1.333(9) .
N7 C43 1.396(11) .
N7 C36 1.480(10) .
N8 C37 1.315(10) .
N8 C38 1.386(10) .
C1 H1A 0.9300 .
C2 C7 1.396(10) .
C2 C3 1.406(12) .
C3 C4 1.370(14) .
C3 H3A 0.9300 .
C4 C5 1.392(13) .
C4 H4A 0.9300 .
C5 C6 1.395(13) .
C5 H5A 0.9300 .
C6 C7 1.388(12) .
C6 H6A 0.9300 .
C8 C9 1.505(12) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.377(10) .
C9 C14 1.396(11) .
C10 C11 1.361(13) .
C10 C49 1.572(13) .
C11 C12 1.357(12) .
C11 H11A 0.9300 .
C12 C13 1.408(10) .
C12 C48 1.487(13) .
C13 C14 1.404(12) .
C13 C54 1.498(11) .
C14 C47 1.538(10) .
C15 H15A 0.9300 .
C16 C21 1.366(11) .
C16 C17 1.390(10) .
C17 C18 1.347(14) .
C17 H17A 0.9300 .
C18 C19 1.397(15) .
C18 H18A 0.9300 .
C19 C20 1.375(11) .
C19 H19A 0.9300 .
C20 C21 1.400(12) .
C20 H20A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.378(10) .
C23 C28 1.390(10) .
C24 C25 1.358(13) .
C24 H24A 0.9300 .
C25 C26 1.381(14) .
C25 H25A 0.9300 .
C26 C27 1.389(11) .
C26 H26A 0.9300 .
C27 C28 1.413(12) .
C27 H27A 0.9300 .
C29 C30 1.534(11) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C35 1.373(12) .
C30 C31 1.422(11) .
C31 C32 1.377(13) .
C31 C44 1.504(14) .
C32 C33 1.340(14) .
C32 H32A 0.9300 .
C33 C34 1.422(11) .
C33 C45 1.533(13) .
C34 C35 1.387(11) .
C34 C36 1.507(13) .
C35 C46 1.514(11) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 H37A 0.9300 .
C38 C39 1.365(12) .
C38 C43 1.386(11) .
C39 C40 1.352(12) .
C39 H39A 0.9300 .
C40 C41 1.360(14) .
C40 H40A 0.9300 .
C41 C42 1.416(15) .
C41 H41A 0.9300 .
C42 C43 1.414(11) .
C42 H42 0.9300 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
Cl1 O3 1.379(8) .
Cl1 O1 1.447(9) .
Cl1 O2 1.477(9) .
Cl1 O4 1.479(8) .
Cl2 O5 1.097(14) .
Cl2 O8 1.355(10) .
Cl2 O7 1.367(11) .
Cl2 O6 1.459(18) .
Cl3 O11 1.471(13) .
Cl3 O11 1.471(13) 2_556
Cl3 O9 1.491(13) 2_556
Cl3 O9 1.491(12) .
Cl3 O12 1.510(14) .
Cl3 O12 1.510(14) 2_556
Cl3 O10 1.517(14) .
Cl3 O10 1.517(14) 2_556
O12 O10 0.19(5) 2_556
O11 O9 0.10(4) 2_556
O10 O12 0.19(5) 2_556
O9 O11 0.10(4) 2_556
N1W C1W 1.007(10) .
C1W C2W 1.383(16) .
C2W H2W1 0.9600 .
C2W H2W2 0.9600 .
C2W H2W3 0.9600 .
N2W C3W 0.982(10) .
C3W C4W 1.347(14) .
C4W H4W1 0.9600 .
C4W H4W2 0.9600 .
C4W H4W3 0.9600 .
