#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/14/4121437.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_4121437
loop_
_publ_author_name
'Meng, Wenjing'
'League, Aaron B.'
'Ronson, Tanya K.'
'Clegg, Jack K.'
'Isley, 3rd, William C'
'Semrouni, David'
'Gagliardi, Laura'
'Cramer, Christopher J.'
'Nitschke, Jonathan R.'
_publ_section_title
;
 Empirical and Theoretical Insights into the Structural Features and
 Host-Guest Chemistry of M8L4 Tube Architectures.
;
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3972
_journal_page_last               3980
_journal_paper_doi               10.1021/ja412964r
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         '(C184 H152 Ag8 N32), 8(B F4)'
_chemical_formula_sum            'C184 H152 Ag8 B8 F32 N32'
_chemical_formula_weight         4368.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           155
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            9
_cell_length_a                   35.408(5)
_cell_length_b                   35.408(5)
_cell_length_c                   45.801(9)
_cell_measurement_reflns_used    77893
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      22.46
_cell_measurement_theta_min      1.02
_cell_volume                     49729(14)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
; 
 ? 
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0745
_diffrn_reflns_av_sigmaI/netI    0.1154
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            26431
_diffrn_reflns_theta_full        22.52
_diffrn_reflns_theta_max         22.52
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.9480
_exptl_absorpt_correction_T_min  0.8305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)

;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             19656
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_platon_squeeze_details
;
;
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_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     1116
_refine_ls_number_reflns         13181
_refine_ls_number_restraints     542
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0569
_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)+(0.0726P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                10788
_reflns_number_total             13181
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja412964r_si_001.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        49730(14)
_cod_original_sg_symbol_Hall     R32"
_cod_original_sg_symbol_H-M      R32
_cod_database_code               4121437
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4082(4) 0.5841(4) 0.8516(3) 0.084(4) Uani 1 1 d U . .
H1A H 0.3822 0.5560 0.8473 0.125 Uiso 1 1 calc R . .
H1B H 0.4097 0.6063 0.8380 0.125 Uiso 1 1 calc R . .
H1C H 0.4064 0.5928 0.8717 0.125 Uiso 1 1 calc R . .
C2 C 0.4479(3) 0.5801(3) 0.8483(2) 0.057(2) Uani 1 1 d U . .
C3 C 0.4445(4) 0.5417(5) 0.8422(3) 0.099(5) Uani 1 1 d U . .
H3 H 0.4164 0.5165 0.8403 0.119 Uiso 1 1 calc R . .
C4 C 0.4815(6) 0.5381(5) 0.8384(4) 0.116(5) Uani 1 1 d U . .
H4 H 0.4790 0.5103 0.8358 0.139 Uiso 1 1 calc R . .
C5 C 0.5217(4) 0.5750(4) 0.8385(3) 0.085(4) Uani 1 1 d U . .
H5 H 0.5474 0.5750 0.8325 0.102 Uiso 1 1 calc R . .
C6 C 0.5223(4) 0.6109(4) 0.8477(3) 0.081(3) Uani 1 1 d U . .
C7 C 0.5646(3) 0.6526(3) 0.8519(3) 0.067(3) Uani 1 1 d U . .
H7 H 0.5908 0.6544 0.8450 0.080 Uiso 1 1 calc R . .
C8 C 0.6079(3) 0.7235(3) 0.8701(2) 0.048(2) Uani 1 1 d U . .
C9 C 0.6464(3) 0.7212(3) 0.8743(2) 0.052(2) Uani 1 1 d U . .
H9 H 0.6462 0.6945 0.8721 0.063 Uiso 1 1 calc R . .
C10 C 0.6848(3) 0.7597(3) 0.8818(2) 0.047(2) Uani 1 1 d U . .
C11 C 0.6835(3) 0.7980(3) 0.8849(2) 0.051(2) Uani 1 1 d U . .
H11 H 0.7102 0.8241 0.8885 0.061 Uiso 1 1 calc R . .
C12 C 0.6464(3) 0.8008(3) 0.8830(2) 0.052(2) Uani 1 1 d U . .
C13 C 0.6081(3) 0.7624(3) 0.8754(2) 0.053(2) Uani 1 1 d U . .
H13 H 0.5816 0.7629 0.8738 0.064 Uiso 1 1 calc R . .
C14 C 0.6461(3) 0.8416(3) 0.8900(2) 0.047(2) Uani 1 1 d U . .
C15 C 0.6118(3) 0.8405(3) 0.9049(2) 0.052(2) Uani 1 1 d U . .
H15 H 0.5872 0.8130 0.9095 0.063 Uiso 1 1 calc R . .
C16 C 0.6122(3) 0.8783(3) 0.91330(19) 0.047(2) Uani 1 1 d U . .
H16 H 0.5873 0.8764 0.9225 0.057 Uiso 1 1 calc R . .
C17 C 0.6492(3) 0.9197(3) 0.90844(17) 0.0392(19) Uani 1 1 d U . .
C18 C 0.6826(3) 0.9202(3) 0.8923(2) 0.053(2) Uani 1 1 d U . .
H18 H 0.7071 0.9476 0.8874 0.064 Uiso 1 1 calc R . .
C19 C 0.6818(3) 0.8827(3) 0.8831(2) 0.054(2) Uani 1 1 d U . .
H19 H 0.7055 0.8846 0.8722 0.065 Uiso 1 1 calc R . .
C20 C 0.6500(3) 0.9591(3) 0.91762(18) 0.043(2) Uani 1 1 d U . .
C21 C 0.6123(3) 0.9627(3) 0.91587(18) 0.044(2) Uani 1 1 d U . .
H21 H 0.5860 0.9386 0.9090 0.052 Uiso 1 1 calc R . .
C22 C 0.6127(3) 1.0015(3) 0.92417(18) 0.047(2) Uani 1 1 d U . .
C23 C 0.6500(3) 1.0347(3) 0.93460(19) 0.048(2) Uani 1 1 d U . .
H23 H 0.6513 1.0618 0.9383 0.058 Uiso 1 1 calc R . .
C24 C 0.6866(3) 1.0312(3) 0.9401(2) 0.053(2) Uani 1 1 d U . .
C25 C 0.6874(3) 0.9932(3) 0.93044(17) 0.043(2) Uani 1 1 d U . .
H25 H 0.7129 0.9911 0.9327 0.052 Uiso 1 1 calc R . .
C26 C 0.5389(4) 0.9753(3) 0.9233(2) 0.058(3) Uani 1 1 d U . .
H26 H 0.5356 0.9474 0.9273 0.070 Uiso 1 1 calc R . .
C27 C 0.4996(4) 0.9794(4) 0.9187(3) 0.070(3) Uani 1 1 d U . .
C28 C 0.4575(5) 0.9440(5) 0.9210(4) 0.105(5) Uani 1 1 d U . .
H28 H 0.4532 0.9157 0.9251 0.126 Uiso 1 1 calc R . .
C29 C 0.4229(5) 0.9498(5) 0.9173(4) 0.111(5) Uani 1 1 d U . .
H29 H 0.3939 0.9261 0.9193 0.133 Uiso 1 1 calc R . .
C30 C 0.4306(4) 0.9914(5) 0.9106(4) 0.109(5) Uani 1 1 d U . .
H30 H 0.4066 0.9961 0.9083 0.130 Uiso 1 1 calc R . .
C31 C 0.4712(4) 1.0251(4) 0.9075(4) 0.087(4) Uani 1 1 d U . .
C32 C 0.4797(6) 1.0689(5) 0.9000(5) 0.133(7) Uani 1 1 d U . .
H32A H 0.4895 1.0873 0.9175 0.199 Uiso 1 1 calc R . .
H32B H 0.4529 1.0671 0.8926 0.199 Uiso 1 1 calc R . .
H32C H 0.5024 1.0814 0.8850 0.199 Uiso 1 1 calc R . .
C33 C 0.7456(3) 1.0590(3) 0.97348(19) 0.048(2) Uani 1 1 d U . .
H33 H 0.7392 1.0299 0.9771 0.058 Uiso 1 1 calc R . .
C34 C 0.7798(4) 1.0943(4) 0.9893(2) 0.061(3) Uani 1 1 d U . .
C35 C 0.7930(4) 1.0869(4) 1.0180(2) 0.066(3) Uani 1 1 d U . .
H35 H 0.7824 1.0580 1.0247 0.079 Uiso 1 1 calc R . .
C36 C 0.8197(4) 1.1204(4) 1.0347(2) 0.070(3) Uani 1 1 d U . .
H36 H 0.8275 1.1155 1.0536 0.084 Uiso 1 1 calc R . .
C37 C 0.8356(4) 1.1608(4) 1.0247(3) 0.077(3) Uani 1 1 d U . .
H37 H 0.8545 1.1848 1.0367 0.092 Uiso 1 1 calc R . .
C38 C 0.8242(4) 1.1688(4) 0.9956(3) 0.077(3) Uani 1 1 d U . .
C39 C 0.8421(6) 1.2139(5) 0.9843(4) 0.116(6) Uani 1 1 d U . .
H39A H 0.8231 1.2140 0.9687 0.174 Uiso 1 1 calc R . .
H39B H 0.8714 1.2244 0.9765 0.174 Uiso 1 1 calc R . .
H39C H 0.8434 1.2331 1.0002 0.174 Uiso 1 1 calc R . .
C40 C 0.7286(4) 0.7268(4) 0.8902(3) 0.078(4) Uani 1 1 d U . .
H40 H 0.7034 0.6989 0.8878 0.093 Uiso 1 1 calc R . .
C41 C 0.7698(4) 0.7300(4) 0.8970(3) 0.072(3) Uani 1 1 d U . .
C42 C 0.7753(5) 0.6941(5) 0.9008(4) 0.102(4) Uani 1 1 d U . .
H42 H 0.7507 0.6658 0.8986 0.122 Uiso 1 1 calc R . .
C43 C 0.8128(5) 0.6977(5) 0.9073(4) 0.094(4) Uani 1 1 d U . .
H43 H 0.8151 0.6723 0.9097 0.113 Uiso 1 1 calc R . .
C44 C 0.8473(5) 0.7366(5) 0.9106(3) 0.084(4) Uani 1 1 d U . .
H44 H 0.8744 0.7394 0.9160 0.101 Uiso 1 1 calc R . .
C45 C 0.8436(3) 0.7766(4) 0.9057(2) 0.064(3) Uani 1 1 d U . .
C46 C 0.8802(4) 0.8203(5) 0.9094(3) 0.089(4) Uani 1 1 d U . .
H46A H 0.9072 0.8208 0.9039 0.134 Uiso 1 1 calc R . .
H46B H 0.8820 0.8290 0.9299 0.134 Uiso 1 1 calc R . .
H46C H 0.8762 0.8405 0.8970 0.134 Uiso 1 1 calc R . .
C47 C 0.7369(5) 0.7737(4) 0.9709(2) 0.087(4) Uani 1 1 d U . .
H47A H 0.7201 0.7681 0.9528 0.131 Uiso 1 1 calc R . .
H47B H 0.7168 0.7603 0.9873 0.131 Uiso 1 1 calc R . .
H47C H 0.7560 0.7612 0.9693 0.131 Uiso 1 1 calc R . .
C48 C 0.7636(5) 0.8215(4) 0.9756(2) 0.076(3) Uani 1 1 d U . .
C49 C 0.7688(5) 0.8402(4) 1.0034(2) 0.082(4) Uani 1 1 d U . .
H49 H 0.7573 0.8223 1.0202 0.099 Uiso 1 1 calc R . .
C50 C 0.7906(5) 0.8847(5) 1.0059(2) 0.090(4) Uani 1 1 d U . .
H50 H 0.7949 0.8978 1.0246 0.108 Uiso 1 1 calc R . .
C51 C 0.8064(5) 0.9106(4) 0.9813(2) 0.077(3) Uani 1 1 d U . .
H51 H 0.8208 0.9415 0.9826 0.093 Uiso 1 1 calc R . .
C52 C 0.8006(4) 0.8901(3) 0.95474(18) 0.052(2) Uani 1 1 d U . .
C53 C 0.8132(3) 0.9147(3) 0.9275(2) 0.055(2) Uani 1 1 d U . .
H53 H 0.8263 0.9455 0.9282 0.066 Uiso 1 1 calc R . .
C54 C 0.5219(3) 0.7747(3) 0.78998(18) 0.041(2) Uani 1 1 d U . .
C55 C 0.5081(3) 0.7492(3) 0.81530(18) 0.046(2) Uani 1 1 d U . .
H55 H 0.5001 0.7193 0.8146 0.055 Uiso 1 1 calc R . .
C56 C 0.5061(3) 0.7675(3) 0.84106(17) 0.042(2) Uani 1 1 d U . .
C57 C 0.5208(3) 0.8122(3) 0.84346(18) 0.0404(19) Uani 1 1 d U . .
H57 H 0.5207 0.8248 0.8618 0.048 Uiso 1 1 calc R . .
C58 C 0.5355(3) 0.8376(3) 0.81838(17) 0.0385(19) Uani 1 1 d U . .
C59 C 0.5366(3) 0.8189(3) 0.79146(16) 0.0375(19) Uani 1 1 d U . .
H59 H 0.5474 0.8366 0.7745 0.045 Uiso 1 1 calc R . .
C60 C 0.5509(3) 0.8864(3) 0.81889(16) 0.0346(18) Uani 1 1 d U . .
C61 C 0.5403(3) 0.9045(3) 0.79538(18) 0.044(2) Uani 1 1 d U . .
H61 H 0.5233 0.8864 0.7797 0.052 Uiso 1 1 calc R . .
C62 C 0.5546(3) 0.9483(3) 0.79503(18) 0.047(2) Uani 1 1 d U . .
H62 H 0.5473 0.9603 0.7789 0.057 Uiso 1 1 calc R . .
C63 C 0.5790(3) 0.9749(3) 0.81694(18) 0.045(2) Uani 1 1 d U . .
C64 C 0.5910(3) 0.9571(3) 0.83992(18) 0.049(2) Uani 1 1 d U . .
H64 H 0.6088 0.9756 0.8552 0.059 Uiso 1 1 calc R . .
C65 C 0.5776(3) 0.9138(3) 0.84068(18) 0.047(2) Uani 1 1 d U . .
H65 H 0.5867 0.9023 0.8562 0.056 Uiso 1 1 calc R . .
C66 C 0.5917(3) 1.0230(3) 0.8160(2) 0.047(2) Uani 1 1 d U . .
C67 C 0.5958(3) 1.0439(3) 0.79050(17) 0.042(2) Uani 1 1 d U . .
H67 H 0.5948 1.0291 0.7730 0.050 Uiso 1 1 calc R . .
C68 C 0.6013(3) 1.0851(3) 0.7880(2) 0.055(2) Uani 1 1 d U . .
C69 C 0.6066(4) 1.1095(3) 0.8138(2) 0.056(3) Uani 1 1 d U . .
H69 H 0.6121 1.1386 0.8127 0.068 Uiso 1 1 calc R . .
C70 C 0.6035(3) 1.0896(3) 0.84065(19) 0.051(2) Uani 1 1 d U . .
C71 C 0.5965(3) 1.0470(3) 0.84227(19) 0.050(2) Uani 1 1 d U . .
H71 H 0.5950 1.0341 0.8607 0.060 Uiso 1 1 calc R . .
C72 C 0.7227(4) 1.1961(4) 0.9122(2) 0.066(3) Uani 1 1 d U . .
H72 H 0.7159 1.2089 0.8964 0.079 Uiso 1 1 calc R . .
C73 C 0.7230(5) 1.2118(4) 0.9410(3) 0.078(3) Uani 1 1 d U . .
C74 C 0.7206(6) 1.2509(5) 0.9456(3) 0.097(4) Uani 1 1 d U . .
H74 H 0.7187 1.2677 0.9301 0.117 Uiso 1 1 calc R . .
C75 C 0.7212(6) 1.2620(6) 0.9757(3) 0.115(5) Uani 1 1 d U . .
H75 H 0.7194 1.2870 0.9806 0.138 Uiso 1 1 calc R . .
C76 C 0.7244(7) 1.2372(7) 0.9975(3) 0.121(5) Uani 1 1 d U B .
H76 H 0.7240 1.2449 1.0173 0.145 Uiso 1 1 calc R . .
C77 C 0.7281(5) 1.2033(5) 0.9913(3) 0.093(4) Uani 1 1 d DU . .
C79 C 0.4645(3) 0.7435(3) 0.88434(18) 0.041(2) Uani 1 1 d U . .
H79 H 0.4574 0.7658 0.8814 0.049 Uiso 1 1 calc R . .
C80 C 0.4470(3) 0.7149(3) 0.90995(18) 0.041(2) Uani 1 1 d U . .
C81 C 0.4194(3) 0.7189(3) 0.92875(18) 0.044(2) Uani 1 1 d U . .
H81 H 0.4109 0.7402 0.9259 0.053 Uiso 1 1 calc R . .
C82 C 0.4040(3) 0.6901(3) 0.95255(18) 0.046(2) Uani 1 1 d U . .
H82 H 0.3846 0.6917 0.9662 0.055 Uiso 1 1 calc R . .
C83 C 0.4167(3) 0.6602(3) 0.95617(18) 0.044(2) Uani 1 1 d U . .
H83 H 0.4056 0.6402 0.9720 0.053 Uiso 1 1 calc R . .
C84 C 0.4454(3) 0.6587(3) 0.93706(18) 0.046(2) Uani 1 1 d U . .
C85 C 0.4622(4) 0.6275(4) 0.9409(2) 0.063(3) Uani 1 1 d U . .
H85A H 0.4764 0.6263 0.9229 0.095 Uiso 1 1 calc R . .
H85B H 0.4378 0.5984 0.9455 0.095 Uiso 1 1 calc R . .
H85C H 0.4833 0.6376 0.9570 0.095 Uiso 1 1 calc R . .
C86 C 0.6143(4) 1.1477(3) 0.8708(2) 0.065(3) Uani 1 1 d U . .
H86 H 0.6229 1.1654 0.8538 0.078 Uiso 1 1 calc R . .
C87 C 0.6135(4) 1.1684(3) 0.8996(3) 0.071(3) Uani 1 1 d U . .
C88 C 0.6187(7) 1.2088(4) 0.8993(3) 0.120(6) Uani 1 1 d U . .
H88 H 0.6232 1.2250 0.8818 0.144 Uiso 1 1 calc R . .
C89 C 0.6169(7) 1.2248(4) 0.9267(3) 0.114(6) Uani 1 1 d U . .
H89 H 0.6222 1.2538 0.9282 0.137 Uiso 1 1 calc R . .
C90 C 0.6082(6) 1.2018(4) 0.9504(3) 0.090(4) Uani 1 1 d U . .
H90 H 0.6041 1.2124 0.9684 0.108 Uiso 1 1 calc R . .
C91 C 0.6051(4) 1.1596(3) 0.9486(3) 0.071(3) Uani 1 1 d U . .
C92 C 0.5972(5) 1.1315(5) 0.9748(2) 0.090(4) Uani 1 1 d U . .
H92A H 0.5662 1.1170 0.9801 0.135 Uiso 1 1 calc R . .
H92B H 0.6147 1.1496 0.9912 0.135 Uiso 1 1 calc R . .
H92C H 0.6054 1.1095 0.9704 0.135 Uiso 1 1 calc R . .
B1 B 0.5381(5) 0.8485(5) 0.6135(2) 0.101(7) Uani 1 1 d D . .
B2 B 0.8453(5) 0.0236(5) 0.7432(3) 0.072(4) Uani 1 1 d . . .
B3 B 0.6667 0.3333 0.9758(4) 0.045(4) Uani 1 3 d S . .
N1 N 0.4866(3) 0.6158(3) 0.85158(16) 0.0542(19) Uani 1 1 d . . .
N2 N 0.5667(2) 0.6862(3) 0.86451(18) 0.053(2) Uani 1 1 d . . .
N3 N 0.4602(2) 0.6848(2) 0.91373(14) 0.0432(17) Uani 1 1 d . . .
N4 N 0.4891(2) 0.7388(2) 0.86585(15) 0.0441(18) Uani 1 1 d . . .
N5 N 0.7255(2) 0.7625(2) 0.88717(17) 0.0474(18) Uani 1 1 d . . .
N6 N 0.8052(3) 0.7714(3) 0.90021(16) 0.055(2) Uani 1 1 d . . .
N7 N 0.7790(3) 0.8456(3) 0.95189(15) 0.055(2) Uani 1 1 d . . .
N8 N 0.8069(2) 0.8957(2) 0.90275(14) 0.0412(17) Uani 1 1 d . . .
N9 N 0.7958(3) 1.1355(2) 0.97980(17) 0.053(2) Uani 1 1 d . B .
N10 N 0.7235(3) 1.0664(3) 0.95447(16) 0.0493(19) Uani 1 1 d . B .
N11 N 0.7288(4) 1.1905(3) 0.96362(17) 0.068(3) Uani 1 1 d . B .
N12 N 0.7309(3) 1.1665(3) 0.90685(15) 0.0503(19) Uani 1 1 d . . .
N13 N 0.5758(2) 1.0074(2) 0.92190(16) 0.0454(18) Uani 1 1 d . . .
N14 N 0.5061(3) 1.0193(3) 0.9125(2) 0.072(2) Uani 1 1 d . . .
N15 N 0.6045(3) 1.1092(2) 0.86832(15) 0.052(2) Uani 1 1 d . . .
N16 N 0.6063(3) 1.1442(3) 0.92284(16) 0.054(2) Uani 1 1 d . . .
F1 F 0.5739(3) 0.8481(3) 0.60706(14) 0.092(2) Uani 1 1 d . A .
F2 F 0.5389(2) 0.88585(19) 0.60608(13) 0.0656(15) Uani 1 1 d . A .
F3 F 0.4970(5) 0.8098(5) 0.6149(4) 0.0843(19) Uiso 0.407(8) 1 d PD A 1
F4 F 0.5467(6) 0.8598(6) 0.6455(3) 0.0843(19) Uiso 0.407(8) 1 d PD A 1
F3' F 0.5053(4) 0.8149(4) 0.5921(3) 0.0843(19) Uiso 0.593(8) 1 d PD A 2
F4' F 0.5084(4) 0.8214(4) 0.6372(2) 0.0843(19) Uiso 0.593(8) 1 d PD A 2
F5 F 0.8373(5) 0.0414(4) 0.72005(18) 0.162(5) Uani 1 1 d . . .
F6 F 0.8889(3) 0.0406(3) 0.7501(2) 0.118(3) Uani 1 1 d . . .
F7 F 0.8274(3) 0.0343(3) 0.76695(17) 0.111(3) Uani 1 1 d . . .
F8 F 0.8261(2) -0.0206(2) 0.74302(15) 0.0806(18) Uani 1 1 d . . .
F9 F 0.6667 0.3333 0.94525(19) 0.073(3) Uani 1 3 d S . .
F10 F 0.70907(16) 0.35221(18) 0.98607(11) 0.0553(13) Uani 1 1 d . . .
Ag1 Ag 0.50002(2) 0.68011(2) 0.874575(16) 0.0530(2) Uani 1 1 d . . .
Ag2 Ag 0.58133(3) 1.07229(2) 0.913374(16) 0.0570(2) Uani 1 1 d . . .
Ag3 Ag 0.74605(3) 1.13908(3) 0.947897(16) 0.0675(3) Uani 1 1 d . . .
Ag4 Ag 0.78703(2) 0.82419(2) 0.903976(15) 0.05122(19) Uani 1 1 d . . .
C78 C 0.7464(14) 1.1876(14) 1.0173(6) 0.075(4) Uiso 0.38(3) 1 d PDU B 1
H78A H 0.7499 1.1632 1.0108 0.113 Uiso 0.38(3) 1 calc PR B 1
H78B H 0.7258 1.1782 1.0337 0.113 Uiso 0.38(3) 1 calc PR B 1
H78C H 0.7746 1.2118 1.0236 0.113 Uiso 0.38(3) 1 calc PR B 1
C78' C 0.7213(9) 1.1675(7) 1.0148(4) 0.075(4) Uiso 0.62(3) 1 d PDU B 2
H78D H 0.7272 1.1459 1.0059 0.113 Uiso 0.62(3) 1 calc PR B 2
H78E H 0.6911 1.1530 1.0219 0.113 Uiso 0.62(3) 1 calc PR B 2
H78F H 0.7412 1.1815 1.0312 0.113 Uiso 0.62(3) 1 calc PR B 2
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 N1 121.3(10) . .
C3 C2 C1 120.7(10) . .
N1 C2 C1 118.0(9) . .
C2 C3 C4 120.6(11) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 119.5(13) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C6 C5 C4 115.2(13) . .
C6 C5 H5 122.4 . .
C4 C5 H5 122.4 . .
C5 C6 N1 126.0(12) . .
C5 C6 C7 120.9(11) . .
N1 C6 C7 112.8(10) . .
N2 C7 C6 122.4(10) . .
N2 C7 H7 118.8 . .
C6 C7 H7 118.8 . .
C13 C8 C9 120.0(8) . .
C13 C8 N2 116.6(8) . .
C9 C8 N2 122.8(8) . .
C10 C9 C8 118.1(9) . .
C10 C9 H9 120.9 . .
C8 C9 H9 120.9 . .
C11 C10 C9 118.8(9) . .
C11 C10 N5 116.5(8) . .
C9 C10 N5 124.7(8) . .
C12 C11 C10 124.6(9) . .
C12 C11 H11 117.7 . .
C10 C11 H11 117.7 . .
C11 C12 C13 116.3(8) . .
C11 C12 C14 122.1(8) . .
C13 C12 C14 121.5(8) . .
C8 C13 C12 121.8(8) . .
C8 C13 H13 119.1 . .
C12 C13 H13 119.1 . .
C15 C14 C19 117.8(9) . .
C15 C14 C12 121.0(8) . .
C19 C14 C12 121.1(8) . .
C14 C15 C16 121.8(9) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
C15 C16 C17 121.0(9) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C18 C17 C16 116.1(8) . .
C18 C17 C20 122.7(8) . .
C16 C17 C20 121.0(8) . .
C19 C18 C17 122.9(9) . .
C19 C18 H18 118.5 . .
C17 C18 H18 118.5 . .
C18 C19 C14 120.2(9) . .
C18 C19 H19 119.9 . .
C14 C19 H19 119.9 . .
C21 C20 C25 118.7(8) . .
C21 C20 C17 120.8(8) . .
C25 C20 C17 120.4(8) . .
C20 C21 C22 121.5(9) . .
C20 C21 H21 119.2 . .
C22 C21 H21 119.2 . .
C23 C22 C21 118.2(9) . .
C23 C22 N13 118.0(8) . .
C21 C22 N13 123.8(8) . .
C22 C23 C24 122.7(9) . .
C22 C23 H23 118.7 . .
C24 C23 H23 118.7 . .
C23 C24 N10 119.4(9) . .
C23 C24 C25 119.2(9) . .
N10 C24 C25 121.4(9) . .
C20 C25 C24 119.0(8) . .
C20 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
N13 C26 C27 121.0(9) . .
N13 C26 H26 119.5 . .
C27 C26 H26 119.5 . .
N14 C27 C28 120.6(11) . .
N14 C27 C26 117.2(11) . .
C28 C27 C26 122.2(11) . .
C29 C28 C27 119.6(14) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C28 C29 C30 118.4(14) . .
C28 C29 H29 120.8 . .
C30 C29 H29 120.8 . .
C31 C30 C29 121.5(12) . .
C31 C30 H30 119.3 . .
C29 C30 H30 119.3 . .
C30 C31 N14 119.8(12) . .
C30 C31 C32 121.9(13) . .
N14 C31 C32 118.2(13) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N10 C33 C34 120.2(8) . .
N10 C33 H33 119.9 . .
C34 C33 H33 119.9 . .
N9 C34 C33 119.8(8) . .
N9 C34 C35 119.1(10) . .
C33 C34 C35 120.4(10) . .
C36 C35 C34 120.5(11) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C35 C36 C37 119.3(11) . .
C35 C36 H36 120.4 . .
C37 C36 H36 120.4 . .
C36 C37 C38 121.0(11) . .
C36 C37 H37 119.5 . .
C38 C37 H37 119.5 . .
N9 C38 C37 119.3(10) . .
N9 C38 C39 119.5(12) . .
C37 C38 C39 121.1(12) . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
N5 C40 C41 120.6(10) . .
N5 C40 H40 119.7 . .
C41 C40 H40 119.7 . .
N6 C41 C42 119.4(10) . .
N6 C41 C40 117.1(9) . .
C42 C41 C40 123.5(11) . .
C43 C42 C41 122.7(14) . .
C43 C42 H42 118.6 . .
C41 C42 H42 118.6 . .
C42 C43 C44 119.7(13) . .
C42 C43 H43 120.1 . .
C44 C43 H43 120.1 . .
C43 C44 C45 119.9(12) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
N6 C45 C46 119.3(11) . .
N6 C45 C44 118.0(11) . .
C46 C45 C44 122.5(11) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C48 C47 H47A 109.5 . .
C48 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C48 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N7 C48 C49 121.8(12) . .
N7 C48 C47 115.9(10) . .
C49 C48 C47 122.0(11) . .
C50 C49 C48 119.0(11) . .
C50 C49 H49 120.5 . .
C48 C49 H49 120.5 . .
C49 C50 C51 120.2(11) . .
C49 C50 H50 119.9 . .
C51 C50 H50 119.9 . .
C52 C51 C50 117.7(12) . .
C52 C51 H51 121.1 . .
C50 C51 H51 121.1 . .
N7 C52 C51 122.8(9) . .
N7 C52 C53 115.7(8) . .
C51 C52 C53 121.2(9) . .
N8 C53 C52 121.5(9) . .
N8 C53 H53 119.2 . .
C52 C53 H53 119.2 . .
C59 C54 C55 120.2(8) . .
C59 C54 N8 121.1(7) . 18_656
C55 C54 N8 118.1(7) . 18_656
C56 C55 C54 119.5(8) . .
C56 C55 H55 120.3 . .
C54 C55 H55 120.3 . .
C55 C56 C57 121.8(8) . .
C55 C56 N4 116.5(8) . .
C57 C56 N4 121.6(7) . .
C58 C57 C56 118.3(8) . .
C58 C57 H57 120.9 . .
C56 C57 H57 120.9 . .
C57 C58 C59 120.6(8) . .
C57 C58 C60 121.7(7) . .
C59 C58 C60 117.8(7) . .
C54 C59 C58 119.4(7) . .
C54 C59 H59 120.3 . .
C58 C59 H59 120.3 . .
C65 C60 C61 118.9(8) . .
C65 C60 C58 122.3(7) . .
C61 C60 C58 118.7(7) . .
C62 C61 C60 119.7(9) . .
C62 C61 H61 120.2 . .
C60 C61 H61 120.2 . .
C63 C62 C61 121.9(8) . .
C63 C62 H62 119.1 . .
C61 C62 H62 119.1 . .
C62 C63 C64 118.4(9) . .
C62 C63 C66 119.1(8) . .
C64 C63 C66 122.4(8) . .
C65 C64 C63 121.0(9) . .
C65 C64 H64 119.5 . .
C63 C64 H64 119.5 . .
C64 C65 C60 120.0(9) . .
C64 C65 H65 120.0 . .
C60 C65 H65 120.0 . .
C67 C66 C71 117.0(8) . .
C67 C66 C63 121.6(8) . .
C71 C66 C63 121.2(8) . .
C66 C67 C68 124.9(8) . .
C66 C67 H67 117.6 . .
C68 C67 H67 117.6 . .
C67 C68 N12 119.3(8) . 18_656
C67 C68 C69 118.9(8) . .
N12 C68 C69 121.8(9) 18_656 .
C70 C69 C68 118.2(8) . .
C70 C69 H69 120.9 . .
C68 C69 H69 120.9 . .
C69 C70 C71 121.1(8) . .
C69 C70 N15 124.0(8) . .
C71 C70 N15 114.8(8) . .
C70 C71 C66 119.8(8) . .
C70 C71 H71 120.1 . .
C66 C71 H71 120.1 . .
N12 C72 C73 123.4(10) . .
N12 C72 H72 118.3 . .
C73 C72 H72 118.3 . .
N11 C73 C72 117.6(9) . .
N11 C73 C74 121.1(10) . .
C72 C73 C74 121.1(12) . .
C75 C74 C73 113.9(13) . .
C75 C74 H74 123.1 . .
C73 C74 H74 123.1 . .
C76 C75 C74 121.6(12) . .
C76 C75 H75 119.2 . .
C74 C75 H75 119.2 . .
C77 C76 C75 120.4(14) . .
C77 C76 H76 119.8 . .
C75 C76 H76 119.8 . .
C76 C77 N11 122.9(13) . .
C76 C77 C78 113.8(17) . .
N11 C77 C78 120.7(15) . .
C76 C77 C78' 122.7(14) . .
N11 C77 C78' 112.9(12) . .
C78 C77 C78' 30.1(14) . .
N4 C79 C80 121.2(7) . .
N4 C79 H79 119.4 . .
C80 C79 H79 119.4 . .
C81 C80 N3 122.8(7) . .
C81 C80 C79 120.8(8) . .
N3 C80 C79 116.4(7) . .
C80 C81 C82 117.0(8) . .
C80 C81 H81 121.5 . .
C82 C81 H81 121.5 . .
C83 C82 C81 120.3(8) . .
C83 C82 H82 119.9 . .
C81 C82 H82 119.9 . .
C82 C83 C84 119.9(8) . .
C82 C83 H83 120.0 . .
C84 C83 H83 120.0 . .
N3 C84 C83 121.9(8) . .
N3 C84 C85 116.1(8) . .
C83 C84 C85 122.0(8) . .
C84 C85 H85A 109.5 . .
C84 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C84 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
N15 C86 C87 123.5(9) . .
N15 C86 H86 118.3 . .
C87 C86 H86 118.3 . .
N16 C87 C88 125.7(11) . .
N16 C87 C86 115.7(8) . .
C88 C87 C86 118.5(11) . .
C87 C88 C89 114.3(13) . .
C87 C88 H88 122.9 . .
C89 C88 H88 122.9 . .
C90 C89 C88 122.9(13) . .
C90 C89 H89 118.5 . .
C88 C89 H89 118.5 . .
C89 C90 C91 118.3(12) . .
C89 C90 H90 120.9 . .
C91 C90 H90 120.9 . .
N16 C91 C90 118.9(11) . .
N16 C91 C92 118.7(9) . .
C90 C91 C92 122.3(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 . .
F1 B1 F2 114.1(12) . .
F1 B1 F3 122.3(14) . .
F2 B1 F3 117.7(13) . .
F1 B1 F4' 122.4(11) . .
F2 B1 F4' 118.5(11) . .
F3 B1 F4' 44.4(9) . .
F1 B1 F4 98.8(11) . .
F2 B1 F4 94.7(11) . .
F3 B1 F4 100.5(13) . .
F4' B1 F4 56.2(9) . .
F1 B1 F3' 102.3(10) . .
F2 B1 F3' 103.6(9) . .
F3 B1 F3' 42.7(9) . .
F4' B1 F3' 87.0(11) . .
F4 B1 F3' 143.2(14) . .
F5 B2 F8 115.7(14) . .
F5 B2 F6 115.5(13) . .
F8 B2 F6 108.1(10) . .
F5 B2 F7 105.0(10) . .
F8 B2 F7 106.4(11) . .
F6 B2 F7 105.1(12) . .
F10 B3 F10 109.2(7) 2_655 .
F10 B3 F10 109.2(7) 2_655 3_665
F10 B3 F10 109.2(7) . 3_665
F10 B3 F9 109.8(7) 2_655 .
F10 B3 F9 109.8(7) . .
F10 B3 F9 109.8(7) 3_665 .
C2 N1 C6 116.2(9) . .
C2 N1 Ag1 126.2(7) . .
C6 N1 Ag1 115.6(7) . .
C7 N2 C8 119.9(8) . .
C7 N2 Ag1 114.7(6) . .
C8 N2 Ag1 125.4(5) . .
C84 N3 C80 118.0(8) . .
C84 N3 Ag1 127.3(6) . .
C80 N3 Ag1 114.2(5) . .
C79 N4 C56 119.9(7) . .
C79 N4 Ag1 115.3(5) . .
C56 N4 Ag1 124.7(6) . .
C40 N5 C10 121.2(8) . .
C40 N5 Ag4 112.1(6) . .
C10 N5 Ag4 124.7(5) . .
C45 N6 C41 120.2(10) . .
C45 N6 Ag4 125.0(8) . .
C41 N6 Ag4 113.7(6) . .
C48 N7 C52 118.5(8) . .
C48 N7 Ag4 128.9(7) . .
C52 N7 Ag4 111.5(6) . .
C53 N8 C54 119.5(8) . 18_656
C53 N8 Ag4 116.2(6) . .
C54 N8 Ag4 124.3(5) 18_656 .
C38 N9 C34 120.6(9) . .
C38 N9 Ag3 123.6(7) . .
C34 N9 Ag3 110.0(6) . .
C33 N10 C24 121.1(8) . .
C33 N10 Ag3 114.3(6) . .
C24 N10 Ag3 124.6(6) . .
C77 N11 C73 119.8(9) . .
C77 N11 Ag3 128.0(8) . .
C73 N11 Ag3 111.9(6) . .
C72 N12 C68 125.7(9) . 18_656
C72 N12 Ag3 113.3(7) . .
C68 N12 Ag3 121.0(6) 18_656 .
C26 N13 C22 119.2(8) . .
C26 N13 Ag2 117.6(7) . .
C22 N13 Ag2 123.1(6) . .
C27 N14 C31 119.9(10) . .
C27 N14 Ag2 111.2(7) . .
C31 N14 Ag2 128.8(8) . .
C86 N15 C70 122.6(8) . .
C86 N15 Ag2 111.1(7) . .
C70 N15 Ag2 126.0(6) . .
C91 N16 C87 119.5(8) . .
C91 N16 Ag2 124.2(7) . .
C87 N16 Ag2 114.7(6) . .
N2 Ag1 N4 120.0(3) . .
N2 Ag1 N1 72.6(3) . .
N4 Ag1 N1 138.6(3) . .
N2 Ag1 N3 140.5(3) . .
N4 Ag1 N3 72.2(2) . .
N1 Ag1 N3 125.5(3) . .
N13 Ag2 N16 153.9(3) . .
N13 Ag2 N15 123.2(3) . .
N16 Ag2 N15 73.4(3) . .
N13 Ag2 N14 72.8(3) . .
N16 Ag2 N14 122.8(3) . .
N15 Ag2 N14 111.4(3) . .
N12 Ag3 N10 123.7(3) . .
N12 Ag3 N11 73.3(3) . .
N10 Ag3 N11 139.6(3) . .
N12 Ag3 N9 151.0(3) . .
N10 Ag3 N9 73.0(3) . .
N11 Ag3 N9 110.6(3) . .
N8 Ag4 N6 149.6(3) . .
N8 Ag4 N5 131.9(3) . .
N6 Ag4 N5 73.6(3) . .
N8 Ag4 N7 71.8(3) . .
N6 Ag4 N7 117.4(3) . .
N5 Ag4 N7 113.6(3) . .
C77 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C77 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C77 C78' H78D 109.5 . .
C77 C78' H78E 109.5 . .
H78D C78' H78E 109.5 . .
C77 C78' H78F 109.5 . .
H78D C78' H78F 109.5 . .
H78E C78' H78F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.491(17) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.334(19) .
C2 N1 1.330(13) .
C3 C4 1.39(2) .
C3 H3 0.9500 .
C4 C5 1.37(2) .
C4 H4 0.9500 .
C5 C6 1.328(17) .
C5 H5 0.9500 .
C6 N1 1.371(15) .
C6 C7 1.501(17) .
C7 N2 1.289(13) .
C7 H7 0.9500 .
C8 C13 1.396(14) .
C8 C9 1.420(14) .
C8 N2 1.417(12) .
C9 C10 1.404(14) .
C9 H9 0.9500 .
C10 C11 1.389(13) .
C10 N5 1.414(12) .
C11 C12 1.368(14) .
C11 H11 0.9500 .
C12 C13 1.401(13) .
C12 C14 1.486(13) .
C13 H13 0.9500 .
C14 C15 1.373(13) .
C14 C19 1.406(14) .
C15 C16 1.389(13) .
C15 H15 0.9500 .
C16 C17 1.412(13) .
C16 H16 0.9500 .
C17 C18 1.386(13) .
C17 C20 1.445(12) .
C18 C19 1.380(14) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.403(13) .
C20 C25 1.398(13) .
C21 C22 1.420(13) .
C21 H21 0.9500 .
C22 C23 1.342(14) .
C22 N13 1.425(13) .
C23 C24 1.387(14) .
C23 H23 0.9500 .
C24 N10 1.436(13) .
C24 C25 1.432(14) .
C25 H25 0.9500 .
C26 N13 1.231(13) .
C26 C27 1.488(16) .
C26 H26 0.9500 .
C27 N14 1.343(14) .
C27 C28 1.390(19) .
C28 C29 1.35(2) .
C28 H28 0.9500 .
C29 C30 1.39(2) .
C29 H29 0.9500 .
C30 C31 1.34(2) .
C30 H30 0.9500 .
C31 N14 1.368(16) .
C31 C32 1.46(2) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 N10 1.282(12) .
C33 C34 1.430(15) .
C33 H33 0.9500 .
C34 N9 1.345(13) .
C34 C35 1.461(14) .
C35 C36 1.329(16) .
C35 H35 0.9500 .
C36 C37 1.330(18) .
C36 H36 0.9500 .
C37 C38 1.460(17) .
C37 H37 0.9500 .
C38 N9 1.320(14) .
C38 C39 1.489(19) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 N5 1.331(14) .
C40 C41 1.439(15) .
C40 H40 0.9500 .
C41 N6 1.377(14) .
C41 C42 1.389(17) .
C42 C43 1.30(2) .
C42 H42 0.9500 .
C43 C44 1.31(2) .
C43 H43 0.9500 .
C44 C45 1.504(17) .
C44 H44 0.9500 .
C45 N6 1.302(14) .
C45 C46 1.447(19) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.485(18) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 N7 1.321(14) .
C48 C49 1.404(16) .
C49 C50 1.37(2) .
C49 H49 0.9500 .
C50 C51 1.384(17) .
C50 H50 0.9500 .
C51 C52 1.377(14) .
C51 H51 0.9500 .
C52 N7 1.369(13) .
C52 C53 1.457(14) .
C53 N8 1.282(12) .
C53 H53 0.9500 .
C54 C59 1.382(12) .
C54 C55 1.400(13) .
C54 N8 1.424(11) 18_656
C55 C56 1.366(12) .
C55 H55 0.9500 .
C56 C57 1.400(13) .
C56 N4 1.440(11) .
C57 C58 1.390(12) .
C57 H57 0.9500 .
C58 C59 1.409(12) .
C58 C60 1.531(12) .
C59 H59 0.9500 .
C60 C65 1.384(13) .
C60 C61 1.395(12) .
C61 C62 1.370(13) .
C61 H61 0.9500 .
C62 C63 1.352(13) .
C62 H62 0.9500 .
C63 C64 1.398(13) .
C63 C66 1.530(13) .
C64 C65 1.363(13) .
C64 H64 0.9500 .
C65 H65 0.9500 .
C66 C67 1.351(13) .
C66 C71 1.432(13) .
C67 C68 1.374(13) .
C67 H67 0.9500 .
C68 N12 1.419(12) 18_656
C68 C69 1.420(14) .
C69 C70 1.396(13) .
C69 H69 0.9500 .
C70 C71 1.405(14) .
C70 N15 1.436(12) .
C71 H71 0.9500 .
C72 N12 1.244(13) .
C72 C73 1.426(16) .
C72 H72 0.9500 .
C73 N11 1.357(15) .
C73 C74 1.445(16) .
C74 C75 1.428(19) .
C74 H74 0.9500 .
C75 C76 1.37(2) .
C75 H75 0.9500 .
C76 C77 1.30(2) .
C76 H76 0.9500 .
C77 N11 1.349(14) .
C77 C78 1.58(2) .
C77 C78' 1.59(2) .
C79 N4 1.285(11) .
C79 C80 1.467(12) .
C79 H79 0.9500 .
C80 C81 1.362(12) .
C80 N3 1.374(11) .
C81 C82 1.403(13) .
C81 H81 0.9500 .
C82 C83 1.353(14) .
C82 H82 0.9500 .
C83 C84 1.363(13) .
C83 H83 0.9500 .
C84 N3 1.337(11) .
C84 C85 1.502(14) .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 N15 1.234(12) .
C86 C87 1.517(15) .
C86 H86 0.9500 .
C87 N16 1.310(14) .
C87 C88 1.349(18) .
C88 C89 1.393(19) .
C88 H88 0.9500 .
C89 C90 1.297(18) .
C89 H89 0.9500 .
C90 C91 1.443(17) .
C90 H90 0.9500 .
C91 N16 1.309(14) .
C91 C92 1.496(17) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
B1 F1 1.308(16) .
B1 F2 1.352(16) .
B1 F3 1.418(17) .
B1 F4' 1.482(16) .
B1 F4 1.512(14) .
B1 F3' 1.530(16) .
B2 F5 1.334(17) .
B2 F8 1.360(17) .
B2 F6 1.385(17) .
B2 F7 1.401(16) .
B3 F10 1.384(8) 2_655
B3 F10 1.385(8) .
B3 F10 1.385(8) 3_665
B3 F9 1.40(2) .
N1 Ag1 2.331(8) .
N2 Ag1 2.308(7) .
N3 Ag1 2.337(7) .
N4 Ag1 2.330(8) .
N5 Ag4 2.314(7) .
N6 Ag4 2.269(8) .
N7 Ag4 2.385(7) .
N8 C54 1.424(11) 18_656
N8 Ag4 2.263(7) .
N9 Ag3 2.341(8) .
N10 Ag3 2.302(8) .
N11 Ag3 2.306(8) .
N12 C68 1.419(12) 18_656
N12 Ag3 2.299(7) .
N13 Ag2 2.241(7) .
N14 Ag2 2.372(9) .
N15 Ag2 2.359(7) .
N16 Ag2 2.280(8) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C78' H78D 0.9800 .
C78' H78E 0.9800 .
C78' H78F 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C2 C3 C4 -1(2) . .
C1 C2 C3 C4 178.4(15) . .
C2 C3 C4 C5 -6(3) . .
C3 C4 C5 C6 12(3) . .
C4 C5 C6 N1 -13(2) . .
C4 C5 C6 C7 173.5(15) . .
C5 C6 C7 N2 -170.1(13) . .
N1 C6 C7 N2 15.4(19) . .
C13 C8 C9 C10 -4.5(15) . .
N2 C8 C9 C10 -175.4(9) . .
C8 C9 C10 C11 0.2(14) . .
C8 C9 C10 N5 178.9(9) . .
C9 C10 C11 C12 4.6(16) . .
N5 C10 C11 C12 -174.2(10) . .
C10 C11 C12 C13 -4.8(16) . .
C10 C11 C12 C14 172.4(9) . .
C9 C8 C13 C12 4.3(16) . .
N2 C8 C13 C12 175.8(10) . .
C11 C12 C13 C8 0.2(16) . .
C14 C12 C13 C8 -177.0(10) . .
C11 C12 C14 C15 -140.3(10) . .
C13 C12 C14 C15 36.8(15) . .
C11 C12 C14 C19 36.1(15) . .
C13 C12 C14 C19 -146.9(10) . .
C19 C14 C15 C16 -0.8(14) . .
C12 C14 C15 C16 175.7(9) . .
C14 C15 C16 C17 -3.9(14) . .
C15 C16 C17 C18 6.3(13) . .
C15 C16 C17 C20 -179.0(8) . .
C16 C17 C18 C19 -4.5(14) . .
C20 C17 C18 C19 -179.0(9) . .
C17 C18 C19 C14 0.0(16) . .
C15 C14 C19 C18 2.7(15) . .
C12 C14 C19 C18 -173.8(10) . .
C18 C17 C20 C21 137.7(9) . .
C16 C17 C20 C21 -36.6(12) . .
C18 C17 C20 C25 -47.0(12) . .
C16 C17 C20 C25 138.7(9) . .
C25 C20 C21 C22 6.1(12) . .
C17 C20 C21 C22 -178.5(8) . .
C20 C21 C22 C23 -1.7(13) . .
C20 C21 C22 N13 177.8(8) . .
C21 C22 C23 C24 -6.3(14) . .
N13 C22 C23 C24 174.1(9) . .
C22 C23 C24 N10 -172.7(8) . .
C22 C23 C24 C25 9.7(15) . .
C21 C20 C25 C24 -2.7(12) . .
C17 C20 C25 C24 -178.1(8) . .
C23 C24 C25 C20 -4.9(13) . .
N10 C24 C25 C20 177.6(8) . .
N13 C26 C27 N14 1.5(18) . .
N13 C26 C27 C28 -178.2(13) . .
N14 C27 C28 C29 -1(3) . .
C26 C27 C28 C29 178.4(16) . .
C27 C28 C29 C30 2(3) . .
C28 C29 C30 C31 1(3) . .
C29 C30 C31 N14 -4(3) . .
C29 C30 C31 C32 179.1(18) . .
N10 C33 C34 N9 -15.7(15) . .
N10 C33 C34 C35 154.9(10) . .
N9 C34 C35 C36 1.3(18) . .
C33 C34 C35 C36 -169.3(11) . .
C34 C35 C36 C37 -2.2(19) . .
C35 C36 C37 C38 0(2) . .
C36 C37 C38 N9 4(2) . .
C36 C37 C38 C39 -179.7(15) . .
N5 C40 C41 N6 0(2) . .
N5 C40 C41 C42 179.1(14) . .
N6 C41 C42 C43 0(3) . .
C40 C41 C42 C43 -179.2(16) . .
C41 C42 C43 C44 0(3) . .
C42 C43 C44 C45 -2(3) . .
C43 C44 C45 N6 4.5(19) . .
C43 C44 C45 C46 178.9(14) . .
N7 C48 C49 C50 0(2) . .
C47 C48 C49 C50 -174.2(14) . .
C48 C49 C50 C51 1(2) . .
C49 C50 C51 C52 -2(2) . .
C50 C51 C52 N7 1.7(19) . .
C50 C51 C52 C53 175.2(12) . .
N7 C52 C53 N8 -4.4(15) . .
C51 C52 C53 N8 -178.4(11) . .
C59 C54 C55 C56 4.9(13) . .
N8 C54 C55 C56 175.9(8) 18_656 .
C54 C55 C56 C57 -5.1(13) . .
C54 C55 C56 N4 176.4(8) . .
C55 C56 C57 C58 3.6(13) . .
N4 C56 C57 C58 -178.1(8) . .
C56 C57 C58 C59 -1.8(12) . .
C56 C57 C58 C60 178.2(7) . .
C55 C54 C59 C58 -3.2(12) . .
N8 C54 C59 C58 -173.9(8) 18_656 .
C57 C58 C59 C54 1.7(12) . .
C60 C58 C59 C54 -178.3(7) . .
C57 C58 C60 C65 43.8(12) . .
C59 C58 C60 C65 -136.3(9) . .
C57 C58 C60 C61 -141.4(8) . .
C59 C58 C60 C61 38.6(11) . .
C65 C60 C61 C62 -3.4(12) . .
C58 C60 C61 C62 -178.4(8) . .
C60 C61 C62 C63 0.0(13) . .
C61 C62 C63 C64 2.5(13) . .
C61 C62 C63 C66 -176.5(8) . .
C62 C63 C64 C65 -1.7(14) . .
C66 C63 C64 C65 177.3(9) . .
C63 C64 C65 C60 -1.6(14) . .
C61 C60 C65 C64 4.1(13) . .
C58 C60 C65 C64 179.0(8) . .
C62 C63 C66 C67 -27.6(13) . .
C64 C63 C66 C67 153.4(9) . .
C62 C63 C66 C71 147.6(9) . .
C64 C63 C66 C71 -31.4(13) . .
C71 C66 C67 C68 -4.6(15) . .
C63 C66 C67 C68 170.8(9) . .
C66 C67 C68 N12 -176.0(9) . 18_656
C66 C67 C68 C69 5.3(16) . .
C67 C68 C69 C70 -3.5(15) . .
N12 C68 C69 C70 177.8(9) 18_656 .
C68 C69 C70 C71 1.6(16) . .
C68 C69 C70 N15 -174.5(10) . .
C69 C70 C71 C66 -1.1(16) . .
N15 C70 C71 C66 175.3(9) . .
C67 C66 C71 C70 2.4(14) . .
C63 C66 C71 C70 -173.0(9) . .
N12 C72 C73 N11 -6(2) . .
N12 C72 C73 C74 169.4(14) . .
N11 C73 C74 C75 -5(2) . .
C72 C73 C74 C75 180.0(15) . .
C73 C74 C75 C76 1(3) . .
C74 C75 C76 C77 2(3) . .
C75 C76 C77 N11 0(3) . .
C75 C76 C77 C78 161(3) . .
C75 C76 C77 C78' -166(2) . .
N4 C79 C80 C81 -177.1(8) . .
N4 C79 C80 N3 3.2(13) . .
N3 C80 C81 C82 -0.8(13) . .
C79 C80 C81 C82 179.6(8) . .
C80 C81 C82 C83 0.2(13) . .
C81 C82 C83 C84 1.7(14) . .
C82 C83 C84 N3 -3.1(13) . .
C82 C83 C84 C85 176.9(9) . .
N15 C86 C87 N16 7(2) . .
N15 C86 C87 C88 -170.5(16) . .
N16 C87 C88 C89 1(3) . .
C86 C87 C88 C89 179.2(16) . .
C87 C88 C89 C90 -4(3) . .
C88 C89 C90 C91 7(3) . .
C89 C90 C91 N16 -7(2) . .
C89 C90 C91 C92 177.3(16) . .
C3 C2 N1 C6 1.4(17) . .
C1 C2 N1 C6 -178.4(11) . .
C3 C2 N1 Ag1 -161.6(10) . .
C1 C2 N1 Ag1 18.6(14) . .
C5 C6 N1 C2 6(2) . .
C7 C6 N1 C2 -179.7(10) . .
C5 C6 N1 Ag1 171.1(13) . .
C7 C6 N1 Ag1 -14.8(14) . .
C6 C7 N2 C8 174.8(12) . .
C6 C7 N2 Ag1 -7.5(15) . .
C13 C8 N2 C7 161.2(10) . .
C9 C8 N2 C7 -27.6(15) . .
C13 C8 N2 Ag1 -16.2(13) . .
C9 C8 N2 Ag1 155.0(7) . .
C83 C84 N3 C80 2.5(12) . .
C85 C84 N3 C80 -177.6(8) . .
C83 C84 N3 Ag1 -169.2(6) . .
C85 C84 N3 Ag1 10.7(12) . .
C81 C80 N3 C84 -0.5(13) . .
C79 C80 N3 C84 179.1(8) . .
C81 C80 N3 Ag1 172.3(7) . .
C79 C80 N3 Ag1 -8.1(9) . .
C80 C79 N4 C56 -179.4(8) . .
C80 C79 N4 Ag1 3.5(11) . .
C55 C56 N4 C79 -141.6(8) . .
C57 C56 N4 C79 40.0(12) . .
C55 C56 N4 Ag1 35.1(10) . .
C57 C56 N4 Ag1 -143.3(7) . .
C41 C40 N5 C10 -177.0(11) . .
C41 C40 N5 Ag4 -12.7(16) . .
C11 C10 N5 C40 167.4(11) . .
C9 C10 N5 C40 -11.3(15) . .
C11 C10 N5 Ag4 5.1(12) . .
C9 C10 N5 Ag4 -173.6(7) . .
C46 C45 N6 C41 -179.1(12) . .
C44 C45 N6 C41 -4.6(15) . .
C46 C45 N6 Ag4 -11.8(14) . .
C44 C45 N6 Ag4 162.7(8) . .
C42 C41 N6 C45 2.6(19) . .
C40 C41 N6 C45 -178.3(11) . .
C42 C41 N6 Ag4 -166.0(12) . .
C40 C41 N6 Ag4 13.0(15) . .
C49 C48 N7 C52 0.0(18) . .
C47 C48 N7 C52 174.2(11) . .
C49 C48 N7 Ag4 167.4(10) . .
C47 C48 N7 Ag4 -18.4(17) . .
C51 C52 N7 C48 -0.6(16) . .
C53 C52 N7 C48 -174.5(10) . .
C51 C52 N7 Ag4 -170.1(10) . .
C53 C52 N7 Ag4 16.0(11) . .
C52 C53 N8 C54 167.4(9) . 18_656
C52 C53 N8 Ag4 -10.8(12) . .
C37 C38 N9 C34 -5.1(18) . .
C39 C38 N9 C34 178.8(13) . .
C37 C38 N9 Ag3 145.3(10) . .
C39 C38 N9 Ag3 -30.9(17) . .
C33 C34 N9 C38 173.2(11) . .
C35 C34 N9 C38 2.5(17) . .
C33 C34 N9 Ag3 19.2(12) . .
C35 C34 N9 Ag3 -151.5(9) . .
C34 C33 N10 C24 -174.6(9) . .
C34 C33 N10 Ag3 2.3(11) . .
C23 C24 N10 C33 141.4(9) . .
C25 C24 N10 C33 -41.0(13) . .
C23 C24 N10 Ag3 -35.2(12) . .
C25 C24 N10 Ag3 142.3(7) . .
C76 C77 N11 C73 -4(3) . .
C78 C77 N11 C73 -164(2) . .
C78' C77 N11 C73 162.9(16) . .
C76 C77 N11 Ag3 169.2(14) . .
C78 C77 N11 Ag3 9(3) . .
C78' C77 N11 Ag3 -24(2) . .
C72 C73 N11 C77 -178.2(14) . .
C74 C73 N11 C77 6(2) . .
C72 C73 N11 Ag3 7.8(16) . .
C74 C73 N11 Ag3 -167.6(12) . .
C73 C72 N12 C68 -178.5(12) . 18_656
C73 C72 N12 Ag3 0.5(16) . .
C27 C26 N13 C22 -175.3(10) . .
C27 C26 N13 Ag2 1.4(14) . .
C23 C22 N13 C26 -152.9(10) . .
C21 C22 N13 C26 27.6(13) . .
C23 C22 N13 Ag2 30.6(11) . .
C21 C22 N13 Ag2 -148.9(7) . .
C28 C27 N14 C31 -2(2) . .
C26 C27 N14 C31 178.7(12) . .
C28 C27 N14 Ag2 176.4(12) . .
C26 C27 N14 Ag2 -3.3(14) . .
C30 C31 N14 C27 4(2) . .
C32 C31 N14 C27 -178.6(15) . .
C30 C31 N14 Ag2 -173.6(12) . .
C32 C31 N14 Ag2 4(2) . .
C87 C86 N15 C70 177.1(11) . .
C87 C86 N15 Ag2 2.8(16) . .
C69 C70 N15 C86 -10.7(17) . .
C71 C70 N15 C86 173.0(11) . .
C69 C70 N15 Ag2 162.7(8) . .
C71 C70 N15 Ag2 -13.6(13) . .
C90 C91 N16 C87 5.0(19) . .
C92 C91 N16 C87 -179.6(12) . .
C90 C91 N16 Ag2 -160.0(11) . .
C92 C91 N16 Ag2 15.4(17) . .
C88 C87 N16 C91 -2(2) . .
C86 C87 N16 C91 -180.0(11) . .
C88 C87 N16 Ag2 164.1(15) . .
C86 C87 N16 Ag2 -13.6(14) . .
C7 N2 Ag1 N4 -137.2(8) . .
C8 N2 Ag1 N4 40.4(9) . .
C7 N2 Ag1 N1 -0.6(8) . .
C8 N2 Ag1 N1 176.9(9) . .
C7 N2 Ag1 N3 124.5(8) . .
C8 N2 Ag1 N3 -57.9(10) . .
C79 N4 Ag1 N2 -144.2(6) . .
C56 N4 Ag1 N2 38.9(7) . .
C79 N4 Ag1 N1 118.2(6) . .
C56 N4 Ag1 N1 -58.6(8) . .
C79 N4 Ag1 N3 -5.6(6) . .
C56 N4 Ag1 N3 177.5(7) . .
C2 N1 Ag1 N2 172.0(9) . .
C6 N1 Ag1 N2 8.9(9) . .
C2 N1 Ag1 N4 -72.1(10) . .
C6 N1 Ag1 N4 124.8(9) . .
C2 N1 Ag1 N3 31.7(10) . .
C6 N1 Ag1 N3 -131.4(8) . .
C84 N3 Ag1 N2 -65.0(8) . .
C80 N3 Ag1 N2 123.0(6) . .
C84 N3 Ag1 N4 179.2(8) . .
C80 N3 Ag1 N4 7.2(6) . .
C84 N3 Ag1 N1 41.6(8) . .
C80 N3 Ag1 N1 -130.4(6) . .
C26 N13 Ag2 N16 128.8(9) . .
C22 N13 Ag2 N16 -54.6(10) . .
C26 N13 Ag2 N15 -106.9(8) . .
C22 N13 Ag2 N15 69.6(7) . .
C26 N13 Ag2 N14 -2.3(8) . .
C22 N13 Ag2 N14 174.3(7) . .
C91 N16 Ag2 N13 -49.3(13) . .
C87 N16 Ag2 N13 145.1(8) . .
C91 N16 Ag2 N15 176.9(10) . .
C87 N16 Ag2 N15 11.3(8) . .
C91 N16 Ag2 N14 71.8(10) . .
C87 N16 Ag2 N14 -93.8(9) . .
C86 N15 Ag2 N13 -164.8(8) . .
C70 N15 Ag2 N13 21.2(9) . .
C86 N15 Ag2 N16 -7.1(8) . .
C70 N15 Ag2 N16 178.9(9) . .
C86 N15 Ag2 N14 112.3(9) . .
C70 N15 Ag2 N14 -61.7(9) . .
C27 N14 Ag2 N13 2.9(8) . .
C31 N14 Ag2 N13 -179.3(13) . .
C27 N14 Ag2 N16 -153.9(8) . .
C31 N14 Ag2 N16 23.9(13) . .
C27 N14 Ag2 N15 122.6(8) . .
C31 N14 Ag2 N15 -59.7(13) . .
C72 N12 Ag3 N10 141.7(8) . .
C68 N12 Ag3 N10 -39.2(9) 18_656 .
C72 N12 Ag3 N11 2.7(8) . .
C68 N12 Ag3 N11 -178.3(8) 18_656 .
C72 N12 Ag3 N9 -99.8(9) . .
C68 N12 Ag3 N9 79.3(9) 18_656 .
C33 N10 Ag3 N12 159.1(6) . .
C24 N10 Ag3 N12 -24.1(8) . .
C33 N10 Ag3 N11 -96.4(8) . .
C24 N10 Ag3 N11 80.4(8) . .
C33 N10 Ag3 N9 5.6(6) . .
C24 N10 Ag3 N9 -177.6(8) . .
C77 N11 Ag3 N12 -178.9(13) . .
C73 N11 Ag3 N12 -5.5(9) . .
C77 N11 Ag3 N10 58.3(15) . .
C73 N11 Ag3 N10 -128.3(9) . .
C77 N11 Ag3 N9 -29.3(13) . .
C73 N11 Ag3 N9 144.1(9) . .
C38 N9 Ag3 N12 64.1(11) . .
C34 N9 Ag3 N12 -142.8(7) . .
C38 N9 Ag3 N10 -165.8(9) . .
C34 N9 Ag3 N10 -12.7(7) . .
C38 N9 Ag3 N11 -28.4(10) . .
C34 N9 Ag3 N11 124.6(7) . .
C53 N8 Ag4 N6 -99.4(8) . .
C54 N8 Ag4 N6 82.4(8) 18_656 .
C53 N8 Ag4 N5 119.6(7) . .
C54 N8 Ag4 N5 -58.5(8) 18_656 .
C53 N8 Ag4 N7 13.9(7) . .
C54 N8 Ag4 N7 -164.3(7) 18_656 .
C45 N6 Ag4 N8 27.1(11) . .
C41 N6 Ag4 N8 -164.9(7) . .
C45 N6 Ag4 N5 177.8(9) . .
C41 N6 Ag4 N5 -14.2(8) . .
C45 N6 Ag4 N7 -73.6(9) . .
C41 N6 Ag4 N7 94.4(8) . .
C40 N5 Ag4 N8 174.6(8) . .
C10 N5 Ag4 N8 -21.7(9) . .
C40 N5 Ag4 N6 14.0(8) . .
C10 N5 Ag4 N6 177.7(8) . .
C40 N5 Ag4 N7 -99.2(8) . .
C10 N5 Ag4 N7 64.5(8) . .
C48 N7 Ag4 N8 176.3(11) . .
C52 N7 Ag4 N8 -15.6(6) . .
C48 N7 Ag4 N6 -35.2(11) . .
C52 N7 Ag4 N6 132.9(6) . .
C48 N7 Ag4 N5 47.8(11) . .
C52 N7 Ag4 N5 -144.1(6) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 1202 171 ' '
2 0.464 -0.009 0.004 10604 1992 ' '
3 0.667 0.333 0.333 1198 170 ' '
4 0.333 0.667 0.667 1198 170 ' '
