#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:00:29 +0100 (vie 25 de mar de 2016) $
#$Revision: 180055 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/01/7050105.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_7050105
loop_
_publ_author_name
'Argent, Stephen P.'
'Adams, Harry'
'Harding, Lindsay P.'
'Riis-Johannessen, T.'
'Jeffery, John C.'
'Ward, Michael D.'
_publ_section_title
;
 Homo- and heteropolynuclear helicates with a ‘2 + 3 +
 2’-dentate compartmental ligand
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              904
_journal_paper_doi               10.1039/b502423d
_journal_volume                  29
_journal_year                    2005
_chemical_formula_sum            'C92 H79 Ag4 B4 F16 N25'
_chemical_formula_weight         2313.52
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 115.093(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.066(3)
_cell_length_b                   28.822(4)
_cell_length_c                   19.716(3)
_cell_measurement_temperature    150(2)
_cell_volume                     9812(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker saint'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker smart 1000'
_diffrn_measurement_method       'ω 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  0.1060
_diffrn_reflns_av_sigmaI/netI    0.1563
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            82310
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.9175
_exptl_absorpt_correction_T_min  0.8107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4632
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.000
_refine_diff_density_min         -5.178
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.481
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         22151
_refine_ls_number_restraints     160
_refine_ls_restrained_S_all      1.478
_refine_ls_R_factor_all          0.2475
_refine_ls_R_factor_gt           0.1622
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4759
_refine_ls_wR_factor_ref         0.5148
_reflns_number_gt                9401
_reflns_number_total             22151
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502423d.txt
_cod_data_source_block           Ag4
_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 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        9812(2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7050105
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.76287(6) 0.09088(4) 0.32662(7) 0.0372(4) Uani 1 1 d U . .
Ag2 Ag 0.73741(6) 0.09099(4) 0.17324(7) 0.0375(4) Uani 1 1 d U . .
Ag3 Ag 0.82490(8) 0.11360(4) 0.68727(7) 0.0418(4) Uani 1 1 d . . .
Ag4 Ag 0.67574(13) 0.11340(10) -0.18680(12) 0.1187(10) Uani 1 1 d . . .
N111 N 0.7488(4) 0.1773(3) 0.6373(4) 0.031(3) Uani 1 1 d G . .
C112 C 0.7720(4) 0.2064(3) 0.5944(4) 0.025(3) Uiso 1 1 d G . .
C113 C 0.7222(4) 0.2405(3) 0.5500(4) 0.023(3) Uiso 1 1 d G . .
H11A H 0.7381 0.2604 0.5207 0.028 Uiso 1 1 calc R . .
C114 C 0.6491(4) 0.2456(3) 0.5486(5) 0.033(3) Uiso 1 1 d G . .
H11B H 0.6150 0.2690 0.5182 0.039 Uiso 1 1 calc R . .
C115 C 0.6258(4) 0.2166(3) 0.5915(5) 0.039(4) Uiso 1 1 d G . .
H11C H 0.5759 0.2201 0.5905 0.047 Uiso 1 1 calc R . .
C116 C 0.6757(5) 0.1824(3) 0.6359(5) 0.041(4) Uiso 1 1 d G . .
H11D H 0.6598 0.1626 0.6652 0.050 Uiso 1 1 calc R . .
N121 N 0.8835(5) 0.1544(2) 0.6237(4) 0.0272(19) Uani 1 1 d GU . .
N122 N 0.9517(4) 0.1541(2) 0.6114(4) 0.0270(19) Uani 1 1 d GU . .
C123 C 0.9542(4) 0.1962(3) 0.5751(5) 0.023(3) Uiso 1 1 d G . .
H12A H 0.9935 0.2052 0.5602 0.028 Uiso 1 1 calc R . .
C124 C 0.8875(5) 0.2226(2) 0.5649(5) 0.023(3) Uiso 1 1 d G . .
H12B H 0.8744 0.2522 0.5420 0.028 Uiso 1 1 calc R . .
C125 C 0.8439(4) 0.1967(3) 0.5949(5) 0.022(3) Uiso 1 1 d G . .
C131 C 0.9967(7) 0.1139(4) 0.6277(7) 0.024(3) Uiso 1 1 d . . .
H13A H 1.0037 0.1020 0.6773 0.029 Uiso 1 1 calc R . .
H13B H 1.0485 0.1215 0.6305 0.029 Uiso 1 1 calc R . .
C132 C 0.9592(4) 0.0754(2) 0.5679(4) 0.013(2) Uiso 1 1 d G . .
C133 C 0.9156(5) 0.0401(3) 0.5791(3) 0.026(3) Uiso 1 1 d G . .
H13C H 0.9108 0.0382 0.6251 0.031 Uiso 1 1 calc R . .
C134 C 0.8791(4) 0.0075(2) 0.5231(4) 0.026(3) Uiso 1 1 d G . .
H13D H 0.8493 -0.0166 0.5308 0.031 Uiso 1 1 calc R . .
C135 C 0.8861(4) 0.0103(2) 0.4559(4) 0.022(3) Uiso 1 1 d G . .
C136 C 0.9297(5) 0.0457(3) 0.4447(3) 0.022(3) Uiso 1 1 d G . .
H13E H 0.9345 0.0476 0.3988 0.027 Uiso 1 1 calc R . .
C137 C 0.9662(4) 0.0782(2) 0.5007(4) 0.025(3) Uiso 1 1 d G . .
H13F H 0.9960 0.1024 0.4931 0.030 Uiso 1 1 calc R . .
C138 C 0.8465(8) -0.0240(5) 0.3973(8) 0.032(3) Uiso 1 1 d . . .
H13G H 0.8631 -0.0197 0.3565 0.039 Uiso 1 1 calc R . .
H13H H 0.8627 -0.0554 0.4184 0.039 Uiso 1 1 calc R . .
N141 N 0.7243(5) 0.0199(3) 0.3292(5) 0.039(2) Uani 1 1 d GU . .
N142 N 0.7632(4) -0.0210(3) 0.3663(5) 0.039(2) Uani 1 1 d GU . .
C143 C 0.7063(6) -0.0540(3) 0.3628(7) 0.053(4) Uiso 1 1 d G . .
H14A H 0.7161 -0.0844 0.3831 0.063 Uiso 1 1 calc R . .
C144 C 0.6323(5) -0.0334(4) 0.3235(8) 0.075(6) Uiso 1 1 d G . .
H14B H 0.5838 -0.0477 0.3129 0.090 Uiso 1 1 calc R . .
C145 C 0.6434(5) 0.0123(4) 0.3027(6) 0.044(4) Uiso 1 1 d G . .
N151 N 0.6219(5) 0.0852(4) 0.2426(5) 0.047(4) Uani 1 1 d G . .
C152 C 0.5936(7) 0.0445(4) 0.2596(7) 0.074(6) Uiso 1 1 d G . .
C153 C 0.5142(8) 0.0379(4) 0.2336(9) 0.080(7) Uiso 1 1 d G . .
H15A H 0.4948 0.0101 0.2451 0.096 Uiso 1 1 calc R . .
C154 C 0.4631(5) 0.0720(6) 0.1905(9) 0.095(8) Uiso 1 1 d G . .
H15B H 0.4089 0.0675 0.1727 0.115 Uiso 1 1 calc R . .
C155 C 0.4915(7) 0.1127(5) 0.1736(8) 0.103(9) Uiso 1 1 d G . .
H15C H 0.4566 0.1360 0.1442 0.123 Uiso 1 1 calc R . .
C156 C 0.5709(7) 0.1193(4) 0.1996(7) 0.065(5) Uiso 1 1 d G . .
N161 N 0.6720(6) 0.1538(3) 0.1718(6) 0.047(3) Uani 1 1 d GU . .
N162 N 0.6875(5) 0.1977(4) 0.1486(6) 0.048(3) Uani 1 1 d GU . .
C163 C 0.6235(7) 0.2272(3) 0.1359(7) 0.062(5) Uiso 1 1 d G . .
H16A H 0.6183 0.2586 0.1199 0.074 Uiso 1 1 calc R . .
C164 C 0.5684(5) 0.2014(4) 0.1513(9) 0.083(7) Uiso 1 1 d G . .
H16B H 0.5199 0.2126 0.1474 0.100 Uiso 1 1 calc R . .
C165 C 0.5984(6) 0.1560(4) 0.1735(7) 0.055(5) Uiso 1 1 d G . .
C171 C 0.7604(9) 0.2094(6) 0.1439(9) 0.043(4) Uiso 1 1 d . . .
H17A H 0.8018 0.2149 0.1947 0.052 Uiso 1 1 calc R . .
H17B H 0.7538 0.2380 0.1140 0.052 Uiso 1 1 calc R . .
C172 C 0.7829(5) 0.1686(3) 0.1066(6) 0.039(4) Uiso 1 1 d G . .
C173 C 0.8615(5) 0.1676(3) 0.1238(5) 0.044(4) Uiso 1 1 d G . .
H17C H 0.8958 0.1889 0.1591 0.053 Uiso 1 1 calc R . .
C174 C 0.8900(4) 0.1354(3) 0.0893(5) 0.037(3) Uiso 1 1 d G . .
H17D H 0.9438 0.1347 0.1010 0.044 Uiso 1 1 calc R . .
C175 C 0.8399(5) 0.1043(3) 0.0376(5) 0.032(3) Uiso 1 1 d G . .
C176 C 0.7613(5) 0.1053(3) 0.0204(5) 0.050(4) Uiso 1 1 d G . .
H17E H 0.7270 0.0840 -0.0149 0.060 Uiso 1 1 calc R . .
C177 C 0.7328(4) 0.1375(4) 0.0549(6) 0.048(4) Uiso 1 1 d G . .
H17F H 0.6790 0.1382 0.0432 0.058 Uiso 1 1 calc R . .
C178 C 0.8749(9) 0.0715(6) -0.0015(9) 0.044(4) Uiso 1 1 d . . .
H17G H 0.8930 0.0901 -0.0332 0.053 Uiso 1 1 calc R . .
H17H H 0.9206 0.0558 0.0370 0.053 Uiso 1 1 calc R . .
N181 N 0.7706(6) 0.0498(3) -0.1192(5) 0.054(3) Uani 1 1 d GU . .
N182 N 0.8242(5) 0.0387(3) -0.0451(5) 0.053(3) Uani 1 1 d GU . .
C183 C 0.8157(6) -0.0091(4) -0.0329(5) 0.048(4) Uiso 1 1 d G . .
H18A H 0.8443 -0.0259 0.0119 0.057 Uiso 1 1 calc R . .
C184 C 0.7569(7) -0.0276(3) -0.0996(7) 0.061(5) Uiso 1 1 d G . .
H18B H 0.7393 -0.0588 -0.1072 0.074 Uiso 1 1 calc R . .
C185 C 0.7290(6) 0.0089(4) -0.1529(5) 0.065(5) Uiso 1 1 d G . .
N191 N 0.6398(10) 0.0513(6) -0.2559(9) 0.113(9) Uani 1 1 d G . .
C192 C 0.6749(9) 0.0097(7) -0.2234(8) 0.088(7) Uiso 1 1 d G . .
C193 C 0.6548(13) -0.0311(5) -0.2650(14) 0.126(11) Uiso 1 1 d G . .
H19A H 0.6787 -0.0595 -0.2428 0.152 Uiso 1 1 calc R . .
C194 C 0.5996(14) -0.0302(8) -0.3389(13) 0.25(2) Uiso 1 1 d G . .
H19B H 0.5859 -0.0581 -0.3673 0.301 Uiso 1 1 calc R . .
C195 C 0.5646(12) 0.0114(10) -0.3714(8) 0.203(19) Uiso 1 1 d G . .
H19C H 0.5269 0.0120 -0.4219 0.244 Uiso 1 1 calc R . .
C196 C 0.5847(11) 0.0522(8) -0.3298(10) 0.196(18) Uiso 1 1 d G . .
H19D H 0.5607 0.0806 -0.3520 0.235 Uiso 1 1 calc R . .
N211 N 0.8623(4) 0.05055(19) 0.7567(3) 0.019(2) Uani 1 1 d G . .
C212 C 0.8266(4) 0.0088(2) 0.7258(3) 0.015(2) Uiso 1 1 d G . .
C213 C 0.8465(4) -0.03149(19) 0.7686(4) 0.020(3) Uiso 1 1 d G . .
H21A H 0.8221 -0.0600 0.7475 0.024 Uiso 1 1 calc R . .
C214 C 0.9023(5) -0.0300(2) 0.8423(4) 0.029(3) Uiso 1 1 d G . .
H21B H 0.9160 -0.0576 0.8715 0.035 Uiso 1 1 calc R . .
C215 C 0.9381(4) 0.0117(3) 0.8732(3) 0.023(3) Uiso 1 1 d G . .
H21C H 0.9762 0.0127 0.9235 0.027 Uiso 1 1 calc R . .
C216 C 0.9181(4) 0.0520(2) 0.8304(4) 0.016(2) Uiso 1 1 d G . .
H21D H 0.9425 0.0805 0.8515 0.019 Uiso 1 1 calc R . .
N221 N 0.7322(5) 0.0496(2) 0.6189(5) 0.041(2) Uani 1 1 d GU . .
N222 N 0.6776(5) 0.0385(3) 0.5451(4) 0.042(2) Uani 1 1 d GU . .
C223 C 0.6833(6) -0.0097(3) 0.5338(4) 0.059(5) Uiso 1 1 d G . .
H22A H 0.6535 -0.0265 0.4894 0.071 Uiso 1 1 calc R . .
C224 C 0.7415(6) -0.0285(2) 0.6006(5) 0.037(3) Uiso 1 1 d G . .
H22B H 0.7574 -0.0600 0.6086 0.044 Uiso 1 1 calc R . .
C225 C 0.7717(5) 0.0082(3) 0.6531(4) 0.024(3) Uiso 1 1 d G . .
C231 C 0.6264(12) 0.0720(7) 0.5009(12) 0.069(6) Uiso 1 1 d . . .
H23A H 0.6077 0.0901 0.5327 0.083 Uiso 1 1 calc R . .
H23B H 0.5810 0.0561 0.4622 0.083 Uiso 1 1 calc R . .
C232 C 0.6582(5) 0.1053(3) 0.4624(6) 0.053(4) Uiso 1 1 d G . .
C233 C 0.6074(4) 0.1365(4) 0.4113(6) 0.051(4) Uiso 1 1 d G . .
H23C H 0.5538 0.1357 0.4003 0.061 Uiso 1 1 calc R . .
C234 C 0.6349(5) 0.1688(3) 0.3761(5) 0.045(4) Uiso 1 1 d G . .
H23D H 0.6002 0.1901 0.3412 0.054 Uiso 1 1 calc R . .
C235 C 0.7133(5) 0.1699(3) 0.3921(5) 0.040(4) Uiso 1 1 d G . .
C236 C 0.7641(4) 0.1388(3) 0.4432(5) 0.025(3) Uiso 1 1 d G . .
H23E H 0.8156 0.1523 0.4763 0.030 Uiso 1 1 calc R . .
C237 C 0.7365(5) 0.1064(3) 0.4783(5) 0.033(3) Uiso 1 1 d G . .
H23F H 0.7712 0.0851 0.5133 0.039 Uiso 1 1 calc R . .
C238 C 0.7465(9) 0.2079(6) 0.3552(9) 0.040(4) Uiso 1 1 d . . .
H23G H 0.7074 0.2138 0.3035 0.048 Uiso 1 1 calc R . .
H23H H 0.7538 0.2372 0.3836 0.048 Uiso 1 1 calc R . .
N241 N 0.8266(4) 0.1533(2) 0.3265(5) 0.029(2) Uani 1 1 d GU . .
N242 N 0.8131(4) 0.1967(3) 0.3529(5) 0.029(2) Uani 1 1 d GU . .
C243 C 0.8768(5) 0.2262(2) 0.3642(5) 0.033(3) Uiso 1 1 d G . .
H24A H 0.8830 0.2573 0.3816 0.040 Uiso 1 1 calc R . .
C244 C 0.9296(4) 0.2010(3) 0.3447(5) 0.028(3) Uiso 1 1 d G . .
H24B H 0.9773 0.2123 0.3469 0.034 Uiso 1 1 calc R . .
C245 C 0.8986(4) 0.1559(3) 0.3215(5) 0.018(2) Uiso 1 1 d G . .
N251 N 0.8793(3) 0.0845(3) 0.2572(4) 0.027(3) Uani 1 1 d G . .
C252 C 0.9294(4) 0.1183(2) 0.3025(4) 0.019(2) Uiso 1 1 d G . .
C253 C 1.0090(4) 0.1126(2) 0.3286(4) 0.021(3) Uiso 1 1 d G . .
H25A H 1.0432 0.1357 0.3595 0.026 Uiso 1 1 calc R . .
C254 C 1.0385(3) 0.0732(3) 0.3093(4) 0.022(3) Uiso 1 1 d G . .
H25B H 1.0929 0.0693 0.3271 0.027 Uiso 1 1 calc R . .
C255 C 0.9884(4) 0.0395(2) 0.2640(4) 0.022(3) Uiso 1 1 d G . .
H25C H 1.0086 0.0125 0.2509 0.026 Uiso 1 1 calc R . .
C256 C 0.9088(3) 0.0451(2) 0.2379(4) 0.017(2) Uiso 1 1 d G . .
N261 N 0.7761(4) 0.0197(2) 0.1728(5) 0.036(2) Uani 1 1 d GU . .
N262 N 0.7362(3) -0.0201(3) 0.1321(5) 0.037(2) Uani 1 1 d GU . .
C263 C 0.7923(5) -0.0527(2) 0.1329(5) 0.035(3) Uiso 1 1 d G . .
H26A H 0.7819 -0.0824 0.1099 0.042 Uiso 1 1 calc R . .
C264 C 0.8668(4) -0.0332(3) 0.1741(5) 0.028(3) Uiso 1 1 d G . .
H26B H 0.9149 -0.0475 0.1836 0.034 Uiso 1 1 calc R . .
C265 C 0.8568(4) 0.0116(3) 0.1988(5) 0.025(3) Uiso 1 1 d G . .
C271 C 0.6570(9) -0.0248(6) 0.1083(9) 0.041(4) Uiso 1 1 d . . .
H27A H 0.6431 -0.0194 0.1507 0.049 Uiso 1 1 calc R . .
H27B H 0.6407 -0.0566 0.0889 0.049 Uiso 1 1 calc R . .
C272 C 0.6152(7) 0.0117(4) 0.0447(6) 0.052(4) Uiso 1 1 d G . .
C273 C 0.5701(7) 0.0464(5) 0.0553(6) 0.067(6) Uiso 1 1 d G . .
H27C H 0.5658 0.0486 0.1014 0.080 Uiso 1 1 calc R . .
C274 C 0.5315(7) 0.0780(4) -0.0017(8) 0.069(6) Uiso 1 1 d G . .
H27D H 0.5007 0.1017 0.0055 0.083 Uiso 1 1 calc R . .
C275 C 0.5378(8) 0.0748(5) -0.0693(7) 0.098(8) Uiso 1 1 d G . .
C276 C 0.5828(8) 0.0401(5) -0.0798(6) 0.068(6) Uiso 1 1 d G . .
H27E H 0.5871 0.0380 -0.1260 0.081 Uiso 1 1 calc R . .
C277 C 0.6215(7) 0.0086(4) -0.0228(7) 0.061(5) Uiso 1 1 d G . .
H27F H 0.6523 -0.0152 -0.0300 0.073 Uiso 1 1 calc R . .
C278 C 0.511(2) 0.1101(12) -0.121(2) 0.140(12) Uiso 1 1 d . . .
H27G H 0.4578 0.1179 -0.1268 0.168 Uiso 1 1 calc R . .
H27H H 0.5052 0.0973 -0.1697 0.168 Uiso 1 1 calc R . .
N281 N 0.6257(8) 0.1605(7) -0.1178(7) 0.113(7) Uani 1 1 d GU . .
N282 N 0.5562(7) 0.1561(5) -0.1083(7) 0.113(7) Uani 1 1 d GU . .
C283 C 0.5469(10) 0.1970(6) -0.0728(10) 0.110(9) Uiso 1 1 d G . .
H28A H 0.5053 0.2033 -0.0597 0.132 Uiso 1 1 calc R . .
C284 C 0.6107(12) 0.2266(6) -0.0602(12) 0.128(11) Uiso 1 1 d G . .
H28B H 0.6193 0.2563 -0.0373 0.154 Uiso 1 1 calc R . .
C285 C 0.6594(8) 0.2041(7) -0.0881(11) 0.115(10) Uiso 1 1 d G . .
C292 C 0.7280(11) 0.2071(8) -0.0959(12) 0.143(16) Uani 1 1 d G . .
N291 N 0.7438(9) 0.1768(6) -0.1425(10) 0.097(6) Uiso 1 1 d G . .
C296 C 0.8150(11) 0.1787(7) -0.1461(10) 0.090(7) Uiso 1 1 d G . .
H29A H 0.8258 0.1579 -0.1779 0.108 Uiso 1 1 calc R . .
C294 C 0.8703(9) 0.2109(9) -0.1032(15) 0.179(16) Uiso 1 1 d G . .
H29B H 0.9190 0.2121 -0.1057 0.215 Uiso 1 1 calc R . .
C295 C 0.8545(16) 0.2412(9) -0.0567(15) 0.28(3) Uiso 1 1 d G . .
H29C H 0.8923 0.2632 -0.0274 0.338 Uiso 1 1 calc R . .
C293 C 0.7833(18) 0.2393(8) -0.0531(14) 0.42(5) Uiso 1 1 d G . .
H29D H 0.7725 0.2601 -0.0213 0.503 Uiso 1 1 calc R . .
B10 B 0.8460(18) -0.1498(11) 0.4473(18) 0.082(8) Uiso 1 1 d U . .
F11 F 0.8423(10) -0.1315(6) 0.3869(10) 0.122(6) Uiso 1 1 d U . .
F12 F 0.9110(7) -0.1764(5) 0.4871(7) 0.083(4) Uiso 1 1 d U . .
F13 F 0.7836(6) -0.1846(4) 0.4432(6) 0.071(3) Uiso 1 1 d U . .
F14 F 0.8413(6) -0.1152(4) 0.4973(6) 0.068(3) Uiso 1 1 d U . .
B20 B 0.6563(13) -0.1625(8) 0.0401(12) 0.052(5) Uiso 1 1 d U . .
F21 F 0.6614(9) -0.1476(6) 0.1155(9) 0.111(5) Uiso 1 1 d U . .
F22 F 0.5847(8) -0.1799(5) 0.0059(8) 0.095(4) Uiso 1 1 d U . .
F23 F 0.7128(6) -0.1889(4) 0.0539(6) 0.064(3) Uiso 1 1 d U . .
F24 F 0.6622(7) -0.1207(4) 0.0059(7) 0.081(4) Uiso 1 1 d U . .
B30 B 1.0204(9) 0.1724(5) 0.8137(9) 0.050 Uiso 1 1 d DU . .
F31 F 1.0583(9) 0.1931(6) 0.8840(9) 0.154(7) Uiso 1 1 d DU . .
F32 F 1.0284(13) 0.1985(7) 0.7608(11) 0.268(14) Uiso 1 1 d DU . .
F33 F 0.9428(8) 0.1643(6) 0.7989(10) 0.161(8) Uiso 1 1 d DU . .
F34 F 1.0537(7) 0.1285(4) 0.8178(8) 0.102(5) Uiso 1 1 d DU . .
B40 B 1.0779(10) 0.1277(6) 1.0069(10) 0.050 Uiso 0.50 1 d PDU . .
F41 F 1.0876(13) 0.1402(8) 1.0779(11) 0.116(10) Uiso 0.50 1 d PDU . .
F42 F 1.1480(9) 0.1307(7) 1.0024(10) 0.059(5) Uiso 0.50 1 d PDU . .
F43 F 1.0280(10) 0.1605(6) 0.9571(10) 0.065(6) Uiso 0.50 1 d PDU . .
F44 F 1.0446(7) 0.0848(4) 0.9901(7) 0.014(3) Uiso 0.50 1 d PDU . .
B50 B 0.4241(12) 0.1068(7) -0.4939(11) 0.049(9) Uiso 0.50 1 d PDU . .
F51 F 0.3836(14) 0.1172(9) -0.5696(11) 0.124(11) Uiso 0.50 1 d PDU . .
F52 F 0.3694(12) 0.1016(8) -0.4647(12) 0.083(7) Uiso 0.50 1 d PDU . .
F53 F 0.4717(11) 0.1436(7) -0.4593(11) 0.069(6) Uiso 0.50 1 d PDU . .
F54 F 0.4633(14) 0.0653(8) -0.4880(14) 0.086(7) Uiso 0.50 1 d PDU . .
C1S C 1.120(2) 0.1645(13) 1.225(2) 0.138(12) Uiso 1 1 d . . .
C2S C 0.9703(10) 0.2861(6) 0.2434(10) 0.049(4) Uiso 1 1 d . . .
C3S C 0.7497(13) -0.1604(10) 0.2404(13) 0.088(8) Uiso 1 1 d . . .
C4S C 1.0452(8) 0.3163(5) 0.2006(8) 0.036(3) Uiso 1 1 d . . .
C5S C 0.7859(13) -0.2079(8) 0.2581(12) 0.067(5) Uiso 1 1 d . . .
C6S C 0.699(2) -0.1855(13) 0.268(2) 0.141(12) Uiso 1 1 d . . .
C7S C 1.0742(17) 0.1346(10) 1.2010(17) 0.102(9) Uiso 1 1 d . . .
C8S C 0.9483(17) 0.3467(10) 0.1846(17) 0.106(9) Uiso 1 1 d . . .
C9S C 0.6446(11) 0.3139(7) -0.0647(11) 0.061(5) Uiso 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'
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
_geom_angle_publ_flag
N241 Ag1 N141 166.2(3) . . ?
N241 Ag1 N151 120.0(4) . . ?
N141 Ag1 N151 71.0(4) . . ?
N241 Ag1 C236 76.8(3) . . ?
N141 Ag1 C236 110.1(3) . . ?
N151 Ag1 C236 102.7(3) . . ?
N241 Ag1 Ag2 80.9(2) . . ?
N141 Ag1 Ag2 96.8(2) . . ?
N151 Ag1 Ag2 69.2(2) . . ?
C236 Ag1 Ag2 147.9(2) . . ?
N261 Ag2 N161 165.5(4) . . ?
N261 Ag2 N251 70.2(3) . . ?
N161 Ag2 N251 121.2(3) . . ?
N261 Ag2 C177 110.9(3) . . ?
N161 Ag2 C177 76.4(3) . . ?
N251 Ag2 C177 104.0(2) . . ?
N261 Ag2 Ag1 95.6(3) . . ?
N161 Ag2 Ag1 81.7(3) . . ?
N251 Ag2 Ag1 69.48(18) . . ?
C177 Ag2 Ag1 149.1(2) . . ?
N211 Ag3 N111 155.3(3) . . ?
N211 Ag3 N121 130.5(3) . . ?
N111 Ag3 N121 73.9(3) . . ?
N211 Ag3 N221 72.4(3) . . ?
N111 Ag3 N221 100.7(3) . . ?
N121 Ag3 N221 118.2(3) . . ?
N191 Ag4 N291 155.4(7) . . ?
N191 Ag4 N281 136.7(7) . . ?
N291 Ag4 N281 67.2(7) . . ?
N191 Ag4 N181 72.4(5) . . ?
N291 Ag4 N181 102.9(5) . . ?
N281 Ag4 N181 118.8(4) . . ?
C112 N111 C116 120.0 . . ?
C112 N111 Ag3 115.9(4) . . ?
C116 N111 Ag3 122.8(4) . . ?
C113 C112 N111 120.0 . . ?
C113 C112 C125 123.6(6) . . ?
N111 C112 C125 116.2(6) . . ?
C112 C113 C114 120.0 . . ?
C115 C114 C113 120.0 . . ?
C114 C115 C116 120.0 . . ?
C115 C116 N111 120.0 . . ?
N122 N121 C125 108.0 . . ?
N122 N121 Ag3 140.7(4) . . ?
C125 N121 Ag3 110.7(4) . . ?
C131 N122 N121 118.9(8) . . ?
C131 N122 C123 132.6(8) . . ?
N121 N122 C123 108.0 . . ?
C124 C123 N122 108.0 . . ?
C123 C124 C125 108.0 . . ?
C112 C125 C124 129.9(6) . . ?
C112 C125 N121 122.0(6) . . ?
C124 C125 N121 108.0 . . ?
N122 C131 C132 112.2(9) . . ?
C133 C132 C137 120.0 . . ?
C133 C132 C131 121.1(7) . . ?
C137 C132 C131 118.9(7) . . ?
C132 C133 C134 120.0 . . ?
C135 C134 C133 120.0 . . ?
C134 C135 C136 120.0 . . ?
C134 C135 C138 119.2(8) . . ?
C136 C135 C138 120.8(8) . . ?
C137 C136 C135 120.0 . . ?
C136 C137 C132 120.0 . . ?
N142 C138 C135 113.7(11) . . ?
N142 N141 C145 108.0 . . ?
N142 N141 Ag1 133.1(6) . . ?
C145 N141 Ag1 117.5(6) . . ?
N141 N142 C143 108.0 . . ?
N141 N142 C138 120.5(9) . . ?
C143 N142 C138 131.5(9) . . ?
C144 C143 N142 108.0 . . ?
C143 C144 C145 108.0 . . ?
C152 C145 C144 132.2(10) . . ?
C152 C145 N141 119.5(10) . . ?
C144 C145 N141 108.0 . . ?
C152 N151 C156 120.0 . . ?
C152 N151 Ag1 108.4(7) . . ?
C156 N151 Ag1 129.6(7) . . ?
C145 C152 C153 120.5(10) . . ?
C145 C152 N151 119.5(10) . . ?
C153 C152 N151 120.0 . . ?
C154 C153 C152 120.0 . . ?
C153 C154 C155 120.0 . . ?
C156 C155 C154 120.0 . . ?
C165 C156 C155 119.6(10) . . ?
C165 C156 N151 119.6(10) . . ?
C155 C156 N151 120.0 . . ?
N162 N161 C165 108.0 . . ?
N162 N161 Ag2 123.1(6) . . ?
C165 N161 Ag2 126.9(6) . . ?
N161 N162 C163 108.0 . . ?
N161 N162 C171 123.8(10) . . ?
C163 N162 C171 128.1(10) . . ?
C164 C163 N162 108.0 . . ?
C163 C164 C165 108.0 . . ?
C156 C165 C164 131.1(10) . . ?
C156 C165 N161 120.7(10) . . ?
C164 C165 N161 108.0 . . ?
N162 C171 C172 108.4(12) . . ?
C173 C172 C177 120.0 . . ?
C173 C172 C171 112.9(8) . . ?
C177 C172 C171 126.8(8) . . ?
C172 C173 C174 120.0 . . ?
C173 C174 C175 120.0 . . ?
C176 C175 C174 120.0 . . ?
C176 C175 C178 122.9(8) . . ?
C174 C175 C178 117.0(8) . . ?
C175 C176 C177 120.0 . . ?
C176 C177 C172 120.0 . . ?
C176 C177 Ag2 102.7(4) . . ?
C172 C177 Ag2 85.7(4) . . ?
N182 C178 C175 113.4(12) . . ?
N182 N181 C185 108.0 . . ?
N182 N181 Ag4 138.6(6) . . ?
C185 N181 Ag4 102.9(6) . . ?
C178 N182 N181 120.0(10) . . ?
C178 N182 C183 131.9(10) . . ?
N181 N182 C183 108.0 . . ?
C184 C183 N182 108.0 . . ?
C185 C184 C183 108.0 . . ?
C192 C185 C184 131.8(12) . . ?
C192 C185 N181 120.2(12) . . ?
C184 C185 N181 108.0 . . ?
C192 N191 C196 120.0 . . ?
C192 N191 Ag4 117.3(11) . . ?
C196 N191 Ag4 122.7(11) . . ?
C185 C192 N191 120.2(15) . . ?
C185 C192 C193 119.8(15) . . ?
N191 C192 C193 120.0 . . ?
C194 C193 C192 120.0 . . ?
C193 C194 C195 120.0 . . ?
C196 C195 C194 120.0 . . ?
C195 C196 N191 120.0 . . ?
C212 N211 C216 120.0 . . ?
C212 N211 Ag3 118.2(3) . . ?
C216 N211 Ag3 121.8(3) . . ?
C225 C212 C213 121.0(6) . . ?
C225 C212 N211 119.0(6) . . ?
C213 C212 N211 120.0 . . ?
C212 C213 C214 120.0 . . ?
C215 C214 C213 120.0 . . ?
C214 C215 C216 120.0 . . ?
C215 C216 N211 120.0 . . ?
N222 N221 C225 108.0 . . ?
N222 N221 Ag3 139.2(5) . . ?
C225 N221 Ag3 104.6(5) . . ?
C231 N222 N221 120.2(11) . . ?
C231 N222 C223 131.5(11) . . ?
N221 N222 C223 108.0 . . ?
C224 C223 N222 108.0 . . ?
C223 C224 C225 108.0 . . ?
C212 C225 N221 120.2(7) . . ?
C212 C225 C224 131.8(7) . . ?
N221 C225 C224 108.0 . . ?
N222 C231 C232 115.8(15) . . ?
C233 C232 C237 120.0 . . ?
C233 C232 C231 118.2(10) . . ?
C237 C232 C231 121.7(10) . . ?
C232 C233 C234 120.0 . . ?
C235 C234 C233 120.0 . . ?
C234 C235 C236 120.0 . . ?
C234 C235 C238 120.8(8) . . ?
C236 C235 C238 119.2(8) . . ?
C235 C236 C237 120.0 . . ?
C235 C236 Ag1 87.8(4) . . ?
C237 C236 Ag1 102.4(4) . . ?
C236 C237 C232 120.0 . . ?
N242 C238 C235 114.9(12) . . ?
C245 N241 N242 108.0 . . ?
C245 N241 Ag1 127.0(4) . . ?
N242 N241 Ag1 122.8(4) . . ?
C238 N242 N241 123.4(9) . . ?
C238 N242 C243 128.0(9) . . ?
N241 N242 C243 108.0 . . ?
C244 C243 N242 108.0 . . ?
C243 C244 C245 108.0 . . ?
C252 C245 C244 130.5(6) . . ?
C252 C245 N241 121.3(6) . . ?
C244 C245 N241 108.0 . . ?
C252 N251 C256 120.0 . . ?
C252 N251 Ag2 128.8(3) . . ?
C256 N251 Ag2 109.2(3) . . ?
C245 C252 N251 118.4(6) . . ?
C245 C252 C253 121.6(6) . . ?
N251 C252 C253 120.0 . . ?
C254 C253 C252 120.0 . . ?
C255 C254 C253 120.0 . . ?
C254 C255 C256 120.0 . . ?
C265 C256 C255 122.9(6) . . ?
C265 C256 N251 116.8(6) . . ?
C255 C256 N251 120.0 . . ?
N262 N261 C265 108.0 . . ?
N262 N261 Ag2 131.4(4) . . ?
C265 N261 Ag2 118.0(4) . . ?
C271 N262 C263 130.3(9) . . ?
C271 N262 N261 121.0(9) . . ?
C263 N262 N261 108.0 . . ?
N262 C263 C264 108.0 . . ?
C265 C264 C263 108.0 . . ?
C256 C265 C264 131.7(6) . . ?
C256 C265 N261 120.3(6) . . ?
C264 C265 N261 108.0 . . ?
N262 C271 C272 108.5(12) . . ?
C273 C272 C277 120.0 . . ?
C273 C272 C271 120.0(10) . . ?
C277 C272 C271 120.0(10) . . ?
C274 C273 C272 120.0 . . ?
C273 C274 C275 120.0 . . ?
C278 C275 C276 118.8(19) . . ?
C278 C275 C274 120.3(19) . . ?
C276 C275 C274 120.0 . . ?
C275 C276 C277 120.0 . . ?
C276 C277 C272 120.0 . . ?
C275 C278 N282 120(3) . . ?
C285 N281 N282 108.0 . . ?
C285 N281 Ag4 121.2(11) . . ?
N282 N281 Ag4 130.1(11) . . ?
N281 N282 C283 108.0 . . ?
N281 N282 C278 123.2(17) . . ?
C283 N282 C278 127.8(18) . . ?
N282 C283 C284 108.0 . . ?
C285 C284 C283 108.0 . . ?
C292 C285 C284 144.9(19) . . ?
C292 C285 N281 107.0(19) . . ?
C284 C285 N281 108.0 . . ?
C285 C292 N291 121(2) . . ?
C285 C292 C293 119(2) . . ?
N291 C292 C293 120.0 . . ?
C292 N291 C296 120.0 . . ?
C292 N291 Ag4 121.9(13) . . ?
C296 N291 Ag4 115.9(13) . . ?
N291 C296 C294 120.0 . . ?
C295 C294 C296 120.0 . . ?
C294 C295 C293 120.0 . . ?
C295 C293 C292 120.0 . . ?
F11 B10 F12 116(3) . . ?
F11 B10 F14 111(2) . . ?
F12 B10 F14 107(2) . . ?
F11 B10 F13 119(2) . . ?
F12 B10 F13 99(2) . . ?
F14 B10 F13 103(2) . . ?
F23 B20 F22 118.9(19) . . ?
F23 B20 F24 112.9(18) . . ?
F22 B20 F24 110.6(18) . . ?
F23 B20 F21 105.6(17) . . ?
F22 B20 F21 103.1(17) . . ?
F24 B20 F21 104.1(16) . . ?
F32 B30 F31 110.4(12) . . ?
F32 B30 F34 110.7(13) . . ?
F31 B30 F34 107.3(11) . . ?
F32 B30 F33 112.8(13) . . ?
F31 B30 F33 109.5(12) . . ?
F34 B30 F33 106.0(11) . . ?
F44 B40 F42 113.9(16) . . ?
F44 B40 F41 109.3(12) . . ?
F42 B40 F41 109.4(12) . . ?
F44 B40 F43 109.4(11) . . ?
F42 B40 F43 107.5(11) . . ?
F41 B40 F43 107.1(12) . . ?
F53 B50 F54 114(2) . . ?
F53 B50 F51 108.4(13) . . ?
F54 B50 F51 108.1(13) . . ?
F53 B50 F52 109.1(12) . . ?
F54 B50 F52 110(2) . . ?
F51 B50 F52 107.0(13) . . ?
C6S C3S C5S 77(2) . . ?
C3S C5S C6S 51.0(14) . . ?
C3S C6S C5S 51.9(15) . . ?
C4S C8S C2S 64.5(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N241 2.171(6) . ?
Ag1 N141 2.182(8) . ?
Ag1 N151 2.493(9) . ?
Ag1 C236 2.673(10) . ?
Ag1 Ag2 2.8523(17) . ?
Ag2 N261 2.184(6) . ?
Ag2 N161 2.190(7) . ?
Ag2 N251 2.509(5) . ?
Ag2 C177 2.659(11) . ?
Ag3 N211 2.204(5) . ?
Ag3 N111 2.289(6) . ?
Ag3 N121 2.323(6) . ?
Ag3 N221 2.514(8) . ?
Ag4 N191 2.175(16) . ?
Ag4 N291 2.196(16) . ?
Ag4 N281 2.388(13) . ?
Ag4 N181 2.522(8) . ?
N111 C112 1.3900 . ?
N111 C116 1.3900 . ?
C112 C113 1.3900 . ?
C112 C125 1.392(8) . ?
C113 C114 1.3900 . ?
C114 C115 1.3900 . ?
C115 C116 1.3900 . ?
N121 N122 1.4200 . ?
N121 C125 1.4200 . ?
N122 C131 1.396(14) . ?
N122 C123 1.4200 . ?
C123 C124 1.4200 . ?
C124 C125 1.4200 . ?
C131 C132 1.554(14) . ?
C132 C133 1.3900 . ?
C132 C137 1.3900 . ?
C133 C134 1.3900 . ?
C134 C135 1.3900 . ?
C135 C136 1.3900 . ?
C135 C138 1.463(15) . ?
C136 C137 1.3900 . ?
C138 N142 1.443(15) . ?
N141 N142 1.4200 . ?
N141 C145 1.4200 . ?
N142 C143 1.4200 . ?
C143 C144 1.4200 . ?
C144 C145 1.4200 . ?
C145 C152 1.343(12) . ?
N151 C152 1.3900 . ?
N151 C156 1.3900 . ?
C152 C153 1.3900 . ?
C153 C154 1.3900 . ?
C154 C155 1.3900 . ?
C155 C156 1.3900 . ?
C156 C165 1.376(13) . ?
N161 N162 1.4200 . ?
N161 C165 1.4200 . ?
N162 C163 1.4200 . ?
N162 C171 1.470(17) . ?
C163 C164 1.4200 . ?
C164 C165 1.4200 . ?
C171 C172 1.541(17) . ?
C172 C173 1.3900 . ?
C172 C177 1.3900 . ?
C173 C174 1.3900 . ?
C174 C175 1.3900 . ?
C175 C176 1.3900 . ?
C175 C178 1.539(17) . ?
C176 C177 1.3900 . ?
C178 N182 1.365(18) . ?
N181 N182 1.4200 . ?
N181 C185 1.4200 . ?
N182 C183 1.4200 . ?
C183 C184 1.4200 . ?
C184 C185 1.4200 . ?
C185 C192 1.335(15) . ?
N191 C192 1.3900 . ?
N191 C196 1.3900 . ?
C192 C193 1.3900 . ?
C193 C194 1.3900 . ?
C194 C195 1.3900 . ?
C195 C196 1.3900 . ?
N211 C212 1.3900 . ?
N211 C216 1.3900 . ?
C212 C225 1.370(8) . ?
C212 C213 1.3900 . ?
C213 C214 1.3900 . ?
C214 C215 1.3900 . ?
C215 C216 1.3900 . ?
N221 N222 1.4200 . ?
N221 C225 1.4200 . ?
N222 C231 1.39(2) . ?
N222 C223 1.4200 . ?
C223 C224 1.4200 . ?
C224 C225 1.4200 . ?
C231 C232 1.50(2) . ?
C232 C233 1.3900 . ?
C232 C237 1.3900 . ?
C233 C234 1.3900 . ?
C234 C235 1.3900 . ?
C235 C236 1.3900 . ?
C235 C238 1.587(17) . ?
C236 C237 1.3900 . ?
C238 N242 1.330(16) . ?
N241 C245 1.4200 . ?
N241 N242 1.4200 . ?
N242 C243 1.4200 . ?
C243 C244 1.4200 . ?
C244 C245 1.4200 . ?
C245 C252 1.360(7) . ?
N251 C252 1.3900 . ?
N251 C256 1.3900 . ?
C252 C253 1.3900 . ?
C253 C254 1.3900 . ?
C254 C255 1.3900 . ?
C255 C256 1.3900 . ?
C256 C265 1.366(8) . ?
N261 N262 1.4200 . ?
N261 C265 1.4200 . ?
N262 C271 1.385(16) . ?
N262 C263 1.4200 . ?
C263 C264 1.4200 . ?
C264 C265 1.4200 . ?
C271 C272 1.570(18) . ?
C272 C273 1.3900 . ?
C272 C277 1.3900 . ?
C273 C274 1.3900 . ?
C274 C275 1.3900 . ?
C275 C278 1.38(3) . ?
C275 C276 1.3900 . ?
C276 C277 1.3900 . ?
C278 N282 1.55(3) . ?
N281 C285 1.4200 . ?
N281 N282 1.4200 . ?
N282 C283 1.4200 . ?
C283 C284 1.4200 . ?
C284 C285 1.4200 . ?
C285 C292 1.38(2) . ?
C292 N291 1.3900 . ?
C292 C293 1.3900 . ?
N291 C296 1.3900 . ?
C296 C294 1.3900 . ?
C294 C295 1.3900 . ?
C295 C293 1.3900 . ?
B10 F11 1.28(3) . ?
B10 F12 1.38(3) . ?
B10 F14 1.43(3) . ?
B10 F13 1.53(3) . ?
B20 F23 1.25(2) . ?
B20 F22 1.34(2) . ?
B20 F24 1.41(2) . ?
B20 F21 1.51(3) . ?
B30 F32 1.347(16) . ?
B30 F31 1.398(16) . ?
B30 F34 1.400(15) . ?
B30 F33 1.401(16) . ?
B40 F44 1.366(15) . ?
B40 F42 1.378(15) . ?
B40 F41 1.380(15) . ?
B40 F43 1.404(15) . ?
B50 F53 1.375(15) . ?
B50 F54 1.387(15) . ?
B50 F51 1.391(15) . ?
B50 F52 1.398(15) . ?
C1S C7S 1.17(4) . ?
C2S C8S 2.04(3) . ?
C3S C6S 1.49(4) . ?
C3S C5S 1.51(3) . ?
C4S C8S 1.94(3) . ?
C5S C6S 1.87(4) . ?
