#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:00:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180055 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/01/7050104.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_7050104
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_moiety         'C86 H70 Ag3 N22, C H3 N O2, 3(B F4)'
_chemical_formula_sum            'C87 H73 Ag3 B3 F12 N23 O2'
_chemical_formula_weight         2056.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 100.848(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.943(5)
_cell_length_b                   11.5611(19)
_cell_length_c                   25.405(4)
_cell_measurement_reflns_used    6791
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      46.463
_cell_measurement_theta_min      4.540
_cell_volume                     8349(2)
_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_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            67846
_diffrn_reflns_theta_full        23.31
_diffrn_reflns_theta_max         23.31
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_T_max  0.8581
_exptl_absorpt_correction_T_min  0.6936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             4144
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1172
_refine_ls_number_reflns         12038
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0380
_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)+(0.0560P)²+8.9597P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                9248
_reflns_number_total             12038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502423d.txt
_cod_data_source_block           Ag3
_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_sg_symbol_H-M      P2(1)/c
_cod_database_code               7050104
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.477660(13) 0.72555(3) 0.493914(14) 0.04230(11) Uani 1 1 d . . .
Ag2 Ag 0.229462(12) 0.72280(3) 0.272364(13) 0.03419(11) Uani 1 1 d . . .
Ag3 Ag 0.075628(14) 0.89633(3) -0.015018(14) 0.04602(12) Uani 1 1 d . . .
N111 N 0.50795(12) 0.6137(3) 0.43423(13) 0.0331(8) Uani 1 1 d . . .
C112 C 0.48091(15) 0.5250(3) 0.41216(16) 0.0303(10) Uani 1 1 d . . .
C113 C 0.48846(16) 0.4698(4) 0.36618(17) 0.0387(11) Uani 1 1 d . . .
H113 H 0.4689 0.4074 0.3515 0.046 Uiso 1 1 calc R . .
C114 C 0.52476(17) 0.5064(4) 0.34190(19) 0.0473(12) Uani 1 1 d . . .
H114 H 0.5302 0.4702 0.3101 0.057 Uiso 1 1 calc R . .
C115 C 0.55283(17) 0.5958(4) 0.36433(19) 0.0464(12) Uani 1 1 d . . .
H115 H 0.5783 0.6219 0.3487 0.056 Uiso 1 1 calc R . .
C116 C 0.54330(16) 0.6469(4) 0.41014(18) 0.0387(11) Uani 1 1 d . . .
H116 H 0.5628 0.7090 0.4255 0.046 Uiso 1 1 calc R . .
N121 N 0.42766(12) 0.5605(3) 0.47361(13) 0.0322(8) Uani 1 1 d . . .
N122 N 0.39137(12) 0.5045(3) 0.48897(13) 0.0345(9) Uani 1 1 d . . .
C123 C 0.38221(16) 0.4022(4) 0.46343(17) 0.0389(11) Uani 1 1 d . . .
H123 H 0.3581 0.3492 0.4675 0.047 Uiso 1 1 calc R . .
C124 C 0.41442(16) 0.3895(4) 0.43046(18) 0.0378(11) Uani 1 1 d . . .
H124 H 0.4175 0.3261 0.4076 0.045 Uiso 1 1 calc R . .
C125 C 0.44178(14) 0.4905(3) 0.43790(15) 0.0296(10) Uani 1 1 d . . .
C131 C 0.36327(16) 0.5635(4) 0.52308(17) 0.0399(11) Uani 1 1 d . . .
H13A H 0.3844 0.5987 0.5541 0.048 Uiso 1 1 calc R . .
H13B H 0.3430 0.5065 0.5370 0.048 Uiso 1 1 calc R . .
C132 C 0.33291(15) 0.6564(4) 0.49221(15) 0.0307(10) Uani 1 1 d . . .
C133 C 0.34360(14) 0.7735(4) 0.50093(16) 0.0322(10) Uani 1 1 d . . .
H133 H 0.3694 0.7954 0.5281 0.039 Uiso 1 1 calc R . .
C134 C 0.31724(14) 0.8580(4) 0.47059(16) 0.0329(10) Uani 1 1 d . . .
H134 H 0.3251 0.9372 0.4770 0.039 Uiso 1 1 calc R . .
C135 C 0.27923(14) 0.8277(4) 0.43068(15) 0.0280(9) Uani 1 1 d . . .
C136 C 0.26772(15) 0.7116(4) 0.42252(16) 0.0316(10) Uani 1 1 d . . .
H136 H 0.2416 0.6901 0.3957 0.038 Uiso 1 1 calc R . .
C137 C 0.29412(15) 0.6268(4) 0.45333(16) 0.0347(10) Uani 1 1 d . . .
H137 H 0.2856 0.5477 0.4478 0.042 Uiso 1 1 calc R . .
C138 C 0.25113(15) 0.9196(4) 0.39671(16) 0.0311(10) Uani 1 1 d . . .
H13C H 0.2195 0.8889 0.3815 0.037 Uiso 1 1 calc R . .
H13D H 0.2471 0.9869 0.4195 0.037 Uiso 1 1 calc R . .
N141 N 0.27643(11) 0.8843(3) 0.31212(12) 0.0260(8) Uani 1 1 d . . .
N142 N 0.27421(11) 0.9573(3) 0.35287(13) 0.0284(8) Uani 1 1 d . . .
C143 C 0.29823(17) 1.0556(4) 0.34880(18) 0.0405(11) Uani 1 1 d . . .
H143 H 0.3019 1.1188 0.3731 0.049 Uiso 1 1 calc R . .
C144 C 0.31638(17) 1.0468(4) 0.30284(17) 0.0428(12) Uani 1 1 d . . .
H144 H 0.3349 1.1023 0.2887 0.051 Uiso 1 1 calc R . .
C145 C 0.30181(14) 0.9388(3) 0.28135(15) 0.0281(9) Uani 1 1 d . . .
N151 N 0.28409(11) 0.7875(3) 0.21698(12) 0.0270(8) Uani 1 1 d . . .
C152 C 0.31150(14) 0.8799(4) 0.23352(16) 0.0300(10) Uani 1 1 d . . .
C153 C 0.34809(16) 0.9119(4) 0.20799(16) 0.0395(11) Uani 1 1 d . . .
H153 H 0.3671 0.9772 0.2200 0.047 Uiso 1 1 calc R . .
C154 C 0.35625(16) 0.8480(5) 0.16528(17) 0.0467(13) Uani 1 1 d . . .
H154 H 0.3812 0.8686 0.1475 0.056 Uiso 1 1 calc R . .
C155 C 0.32833(16) 0.7539(4) 0.14809(18) 0.0422(12) Uani 1 1 d . . .
H155 H 0.3337 0.7088 0.1186 0.051 Uiso 1 1 calc R . .
C156 C 0.29201(14) 0.7261(4) 0.17489(16) 0.0310(10) Uani 1 1 d . . .
N161 N 0.22342(12) 0.6115(3) 0.18266(13) 0.0314(8) Uani 1 1 d . . .
N162 N 0.20408(13) 0.5097(3) 0.16420(14) 0.0378(9) Uani 1 1 d . . .
C163 C 0.22848(19) 0.4602(4) 0.12973(19) 0.0513(13) Uani 1 1 d . . .
H163 H 0.2211 0.3893 0.1112 0.062 Uiso 1 1 calc R . .
C164 C 0.26555(18) 0.5304(4) 0.12626(19) 0.0477(13) Uani 1 1 d . . .
H164 H 0.2892 0.5186 0.1054 0.057 Uiso 1 1 calc R . .
C165 C 0.26129(15) 0.6250(4) 0.16052(16) 0.0325(10) Uani 1 1 d . . .
C171 C 0.16074(16) 0.4723(4) 0.17987(18) 0.0402(11) Uani 1 1 d . . .
H17A H 0.1649 0.4735 0.2194 0.048 Uiso 1 1 calc R . .
H17B H 0.1538 0.3917 0.1677 0.048 Uiso 1 1 calc R . .
C172 C 0.11952(15) 0.5489(4) 0.15624(17) 0.0339(10) Uani 1 1 d . . .
C173 C 0.08455(16) 0.5728(4) 0.18523(17) 0.0383(11) Uani 1 1 d . . .
H173 H 0.0865 0.5412 0.2201 0.046 Uiso 1 1 calc R . .
C174 C 0.04662(17) 0.6427(4) 0.16368(18) 0.0418(12) Uani 1 1 d . . .
H174 H 0.0233 0.6597 0.1843 0.050 Uiso 1 1 calc R . .
C175 C 0.04230(16) 0.6879(4) 0.11253(18) 0.0399(11) Uani 1 1 d . . .
C176 C 0.07689(17) 0.6620(4) 0.08329(18) 0.0412(11) Uani 1 1 d . . .
H176 H 0.0740 0.6905 0.0477 0.049 Uiso 1 1 calc R . .
C177 C 0.11547(16) 0.5954(4) 0.10506(17) 0.0382(11) Uani 1 1 d . . .
H177 H 0.1394 0.5812 0.0849 0.046 Uiso 1 1 calc R . .
C178 C 0.00227(16) 0.7671(4) 0.0894(2) 0.0465(12) Uani 1 1 d . . .
H17C H -0.0082 0.7497 0.0508 0.056 Uiso 1 1 calc R . .
H17D H -0.0246 0.7532 0.1077 0.056 Uiso 1 1 calc R . .
N181 N 0.03933(13) 0.9390(3) 0.06037(14) 0.0385(9) Uani 1 1 d . . .
N182 N 0.01633(13) 0.8881(3) 0.09574(15) 0.0408(9) Uani 1 1 d . . .
C183 C 0.01459(16) 0.9565(4) 0.13809(19) 0.0441(12) Uani 1 1 d . . .
H183 H 0.0005 0.9382 0.1680 0.053 Uiso 1 1 calc R . .
C184 C 0.03703(16) 1.0578(4) 0.12997(18) 0.0407(11) Uani 1 1 d . . .
H184 H 0.0414 1.1238 0.1526 0.049 Uiso 1 1 calc R . .
C185 C 0.05198(15) 1.0431(4) 0.08123(17) 0.0353(10) Uani 1 1 d . . .
N191 N 0.09192(13) 1.0855(3) 0.00863(14) 0.0397(9) Uani 1 1 d . . .
C192 C 0.07878(15) 1.1235(4) 0.05373(17) 0.0362(11) Uani 1 1 d . . .
C193 C 0.09105(18) 1.2329(4) 0.0739(2) 0.0515(13) Uani 1 1 d . . .
H193 H 0.0818 1.2581 0.1060 0.062 Uiso 1 1 calc R . .
C194 C 0.1167(2) 1.3045(5) 0.0474(2) 0.0628(16) Uani 1 1 d . . .
H194 H 0.1243 1.3805 0.0603 0.075 Uiso 1 1 calc R . .
C195 C 0.1314(2) 1.2654(5) 0.0016(2) 0.0585(15) Uani 1 1 d . . .
H195 H 0.1498 1.3128 -0.0170 0.070 Uiso 1 1 calc R . .
C196 C 0.11817(17) 1.1556(4) -0.01596(19) 0.0471(12) Uani 1 1 d . . .
H196 H 0.1282 1.1278 -0.0472 0.056 Uiso 1 1 calc R . .
N211 N 0.46474(12) 0.8559(3) 0.55643(14) 0.0343(8) Uani 1 1 d . . .
C212 C 0.44085(15) 0.9529(4) 0.53848(17) 0.0324(10) Uani 1 1 d . . .
C213 C 0.42049(17) 1.0237(4) 0.5719(2) 0.0446(12) Uani 1 1 d . . .
H213 H 0.4028 1.0897 0.5580 0.053 Uiso 1 1 calc R . .
C214 C 0.42637(18) 0.9968(4) 0.6257(2) 0.0527(14) Uani 1 1 d . . .
H214 H 0.4127 1.0443 0.6493 0.063 Uiso 1 1 calc R . .
C215 C 0.45225(18) 0.9003(4) 0.6450(2) 0.0503(13) Uani 1 1 d . . .
H215 H 0.4575 0.8812 0.6820 0.060 Uiso 1 1 calc R . .
C216 C 0.47033(17) 0.8324(4) 0.60908(18) 0.0429(12) Uani 1 1 d . . .
H216 H 0.4877 0.7653 0.6223 0.051 Uiso 1 1 calc R . .
N221 N 0.45378(12) 0.9060(3) 0.44927(14) 0.0330(8) Uani 1 1 d . . .
N222 N 0.44372(12) 0.9532(3) 0.39968(14) 0.0344(9) Uani 1 1 d . . .
C223 C 0.41988(16) 1.0536(4) 0.4003(2) 0.0449(12) Uani 1 1 d . . .
H223 H 0.4089 1.1020 0.3703 0.054 Uiso 1 1 calc R . .
C224 C 0.41438(17) 1.0730(4) 0.4516(2) 0.0460(12) Uani 1 1 d . . .
H224 H 0.3992 1.1368 0.4647 0.055 Uiso 1 1 calc R . .
C225 C 0.43586(15) 0.9787(4) 0.48080(17) 0.0331(10) Uani 1 1 d . . .
C231 C 0.45519(15) 0.8921(4) 0.35417(17) 0.0367(11) Uani 1 1 d . . .
H23A H 0.4882 0.8652 0.3634 0.044 Uiso 1 1 calc R . .
H23B H 0.4529 0.9466 0.3238 0.044 Uiso 1 1 calc R . .
C232 C 0.42370(15) 0.7884(4) 0.33628(16) 0.0313(10) Uani 1 1 d . . .
C233 C 0.38599(15) 0.7580(4) 0.35933(17) 0.0354(11) Uani 1 1 d . . .
H233 H 0.3788 0.8026 0.3881 0.043 Uiso 1 1 calc R . .
C234 C 0.35834(15) 0.6627(4) 0.34096(16) 0.0342(10) Uani 1 1 d . . .
H234 H 0.3327 0.6427 0.3577 0.041 Uiso 1 1 calc R . .
C235 C 0.36724(14) 0.5971(3) 0.29921(16) 0.0280(9) Uani 1 1 d . . .
C236 C 0.40550(17) 0.6278(4) 0.27632(18) 0.0443(12) Uani 1 1 d . . .
H236 H 0.4128 0.5827 0.2477 0.053 Uiso 1 1 calc R . .
C237 C 0.43313(17) 0.7220(4) 0.29424(19) 0.0457(12) Uani 1 1 d . . .
H237 H 0.4589 0.7415 0.2776 0.055 Uiso 1 1 calc R . .
C238 C 0.33803(14) 0.4945(4) 0.27638(17) 0.0334(10) Uani 1 1 d . . .
H23C H 0.3230 0.5125 0.2390 0.040 Uiso 1 1 calc R . .
H23D H 0.3593 0.4278 0.2753 0.040 Uiso 1 1 calc R . .
N241 N 0.26166(11) 0.5218(3) 0.30146(13) 0.0286(8) Uani 1 1 d . . .
N242 N 0.30148(11) 0.4602(3) 0.30559(13) 0.0296(8) Uani 1 1 d . . .
C243 C 0.30068(16) 0.3651(4) 0.33564(18) 0.0407(11) Uani 1 1 d . . .
H243 H 0.3249 0.3088 0.3436 0.049 Uiso 1 1 calc R . .
C244 C 0.25857(16) 0.3640(4) 0.35269(19) 0.0432(12) Uani 1 1 d . . .
H244 H 0.2476 0.3080 0.3748 0.052 Uiso 1 1 calc R . .
C245 C 0.23515(14) 0.4635(3) 0.33042(16) 0.0295(10) Uani 1 1 d . . .
N251 N 0.17669(11) 0.6145(3) 0.31576(12) 0.0254(8) Uani 1 1 d . . .
C252 C 0.18777(14) 0.5057(3) 0.33392(15) 0.0274(9) Uani 1 1 d . . .
C253 C 0.15577(15) 0.4361(4) 0.35363(17) 0.0381(11) Uani 1 1 d . . .
H253 H 0.1641 0.3601 0.3662 0.046 Uiso 1 1 calc R . .
C254 C 0.11167(16) 0.4798(4) 0.35460(17) 0.0405(12) Uani 1 1 d . . .
H254 H 0.0891 0.4335 0.3676 0.049 Uiso 1 1 calc R . .
C255 C 0.10016(15) 0.5907(4) 0.33668(17) 0.0361(11) Uani 1 1 d . . .
H255 H 0.0699 0.6217 0.3374 0.043 Uiso 1 1 calc R . .
C256 C 0.13358(14) 0.6558(4) 0.31759(15) 0.0279(9) Uani 1 1 d . . .
N261 N 0.15821(11) 0.8437(3) 0.28919(13) 0.0297(8) Uani 1 1 d . . .
N262 N 0.13646(12) 0.9437(3) 0.27031(13) 0.0329(8) Uani 1 1 d . . .
C263 C 0.08964(15) 0.9362(4) 0.26546(17) 0.0402(11) Uani 1 1 d . . .
H263 H 0.0675 0.9951 0.2527 0.048 Uiso 1 1 calc R . .
C264 C 0.07963(15) 0.8291(4) 0.28218(17) 0.0393(11) Uani 1 1 d . . .
H264 H 0.0495 0.7981 0.2837 0.047 Uiso 1 1 calc R . .
C265 C 0.12340(14) 0.7740(4) 0.29675(15) 0.0298(10) Uani 1 1 d . . .
C271 C 0.16372(16) 1.0355(4) 0.25128(17) 0.0375(11) Uani 1 1 d . . .
H27A H 0.1939 1.0447 0.2767 0.045 Uiso 1 1 calc R . .
H27B H 0.1462 1.1093 0.2505 0.045 Uiso 1 1 calc R . .
C272 C 0.17371(15) 1.0111(4) 0.19584(16) 0.0338(10) Uani 1 1 d . . .
C273 C 0.16210(16) 0.9097(4) 0.16901(18) 0.0401(11) Uani 1 1 d . . .
H273 H 0.1452 0.8526 0.1845 0.048 Uiso 1 1 calc R . .
C274 C 0.17439(16) 0.8883(4) 0.11997(18) 0.0417(11) Uani 1 1 d . . .
H274 H 0.1662 0.8163 0.1027 0.050 Uiso 1 1 calc R . .
C275 C 0.19821(15) 0.9693(4) 0.09563(17) 0.0378(11) Uani 1 1 d . . .
C276 C 0.2079(2) 1.0738(5) 0.1215(2) 0.0710(18) Uani 1 1 d . . .
H276 H 0.2231 1.1331 0.1052 0.085 Uiso 1 1 calc R . .
C277 C 0.1960(2) 1.0935(5) 0.1707(2) 0.0696(18) Uani 1 1 d . . .
H277 H 0.2033 1.1661 0.1878 0.084 Uiso 1 1 calc R . .
C278 C 0.21457(17) 0.9481(4) 0.04355(18) 0.0463(12) Uani 1 1 d . . .
H27C H 0.2016 1.0090 0.0176 0.056 Uiso 1 1 calc R . .
H27D H 0.2493 0.9536 0.0498 0.056 Uiso 1 1 calc R . .
N281 N 0.15716(13) 0.8217(3) -0.01014(14) 0.0390(9) Uani 1 1 d . . .
N282 N 0.20016(13) 0.8352(3) 0.02065(14) 0.0396(9) Uani 1 1 d . . .
C283 C 0.22310(17) 0.7339(5) 0.02907(18) 0.0444(12) Uani 1 1 d . . .
H283 H 0.2537 0.7229 0.0497 0.053 Uiso 1 1 calc R . .
C284 C 0.19474(16) 0.6497(4) 0.00279(17) 0.0407(11) Uani 1 1 d . . .
H284 H 0.2013 0.5694 0.0013 0.049 Uiso 1 1 calc R . .
C285 C 0.15372(16) 0.7078(4) -0.02145(16) 0.0359(11) Uani 1 1 d . . .
N291 N 0.07149(13) 0.7273(3) -0.05922(14) 0.0373(9) Uani 1 1 d . . .
C292 C 0.11065(16) 0.6616(4) -0.05438(16) 0.0356(11) Uani 1 1 d . . .
C293 C 0.10966(18) 0.5537(4) -0.07878(18) 0.0439(12) Uani 1 1 d . . .
H293 H 0.1375 0.5084 -0.0748 0.053 Uiso 1 1 calc R . .
C294 C 0.0685(2) 0.5127(4) -0.10861(19) 0.0538(14) Uani 1 1 d . . .
H294 H 0.0675 0.4394 -0.1256 0.065 Uiso 1 1 calc R . .
C295 C 0.0286(2) 0.5799(4) -0.1135(2) 0.0555(14) Uani 1 1 d . . .
H295 H -0.0005 0.5531 -0.1335 0.067 Uiso 1 1 calc R . .
C296 C 0.03154(18) 0.6858(4) -0.08901(18) 0.0454(12) Uani 1 1 d . . .
H296 H 0.0040 0.7323 -0.0933 0.054 Uiso 1 1 calc R . .
B10 B 0.4291(2) 0.2340(4) 0.2652(2) 0.0373(13) Uani 1 1 d . . .
F11 F 0.40955(9) 0.2608(2) 0.30962(10) 0.0418(6) Uani 1 1 d . . .
F12 F 0.42930(12) 0.1173(2) 0.25846(13) 0.0689(9) Uani 1 1 d . . .
F13 F 0.4072(2) 0.2898(4) 0.22240(14) 0.146(2) Uani 1 1 d . . .
F14 F 0.47583(14) 0.2679(3) 0.27514(17) 0.1018(14) Uani 1 1 d . . .
B20 B 0.2600(3) 0.2111(5) 0.4872(3) 0.0587(18) Uani 1 1 d . . .
F21 F 0.30105(12) 0.1834(3) 0.47102(14) 0.0767(10) Uani 1 1 d . . .
F22 F 0.25541(16) 0.1684(6) 0.53346(19) 0.161(2) Uani 1 1 d . . .
F23 F 0.22320(13) 0.1817(4) 0.44712(16) 0.0986(12) Uani 1 1 d . . .
F24 F 0.2605(2) 0.3294(4) 0.4917(2) 0.148(2) Uani 1 1 d . . .
B30 B 0.05672(18) 0.2663(5) 0.2589(2) 0.0384(13) Uani 1 1 d . . .
F31 F 0.07570(12) 0.2288(3) 0.31047(13) 0.0729(10) Uani 1 1 d . . .
F32 F 0.09067(11) 0.2744(3) 0.22822(15) 0.0760(10) Uani 1 1 d . . .
F33 F 0.03481(8) 0.3718(2) 0.26161(10) 0.0454(7) Uani 1 1 d . . .
F34 F 0.02338(9) 0.1835(2) 0.23623(11) 0.0529(7) Uani 1 1 d . . .
N1 N 0.3314(3) 0.2922(8) 0.6218(3) 0.118(2) Uani 1 1 d D . .
O2 O 0.3242(3) 0.3980(7) 0.6084(3) 0.170(3) Uani 1 1 d . A .
O3 O 0.3570(4) 0.2590(15) 0.5902(6) 0.090(4) Uiso 0.406(17) 1 d PDU A 1
O3' O 0.3512(3) 0.2041(10) 0.6095(4) 0.089(3) Uiso 0.594(17) 1 d PDU A 2
C4 C 0.3100(3) 0.2595(9) 0.6690(5) 0.165(5) Uani 1 1 d . A .
H4A H 0.2979 0.1802 0.6644 0.248 Uiso 1 1 calc R . .
H4B H 0.2841 0.3126 0.6716 0.248 Uiso 1 1 calc R . .
H4C H 0.3339 0.2643 0.7018 0.248 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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N211 Ag1 N111 166.45(13) . . ?
N211 Ag1 N121 120.51(12) . . ?
N111 Ag1 N121 72.42(12) . . ?
N211 Ag1 N221 71.63(12) . . ?
N111 Ag1 N221 106.77(12) . . ?
N121 Ag1 N221 118.71(11) . . ?
N251 Ag2 N141 124.63(11) . . ?
N251 Ag2 N151 165.79(11) . . ?
N141 Ag2 N151 68.11(11) . . ?
N251 Ag2 N241 67.79(11) . . ?
N141 Ag2 N241 115.79(10) . . ?
N151 Ag2 N241 101.88(11) . . ?
N251 Ag2 N261 67.07(11) . . ?
N141 Ag2 N261 85.24(11) . . ?
N151 Ag2 N261 123.75(11) . . ?
N241 Ag2 N261 134.36(10) . . ?
N251 Ag2 N161 101.62(11) . . ?
N141 Ag2 N161 133.64(11) . . ?
N151 Ag2 N161 65.58(11) . . ?
N241 Ag2 N161 76.36(10) . . ?
N261 Ag2 N161 119.21(10) . . ?
N291 Ag3 N191 161.77(13) . . ?
N291 Ag3 N181 125.94(13) . . ?
N191 Ag3 N181 72.22(13) . . ?
N291 Ag3 N281 71.63(13) . . ?
N191 Ag3 N281 99.83(13) . . ?
N181 Ag3 N281 125.67(12) . . ?
C116 N111 C112 117.4(4) . . ?
C116 N111 Ag1 124.0(3) . . ?
C112 N111 Ag1 116.2(3) . . ?
N111 C112 C113 122.1(4) . . ?
N111 C112 C125 117.3(4) . . ?
C113 C112 C125 120.6(4) . . ?
C114 C113 C112 119.3(4) . . ?
C115 C114 C113 119.1(4) . . ?
C114 C115 C116 118.5(5) . . ?
N111 C116 C115 123.5(4) . . ?
C125 N121 N122 105.1(3) . . ?
C125 N121 Ag1 112.3(3) . . ?
N122 N121 Ag1 142.3(3) . . ?
C123 N122 N121 111.9(3) . . ?
C123 N122 C131 127.7(4) . . ?
N121 N122 C131 119.7(4) . . ?
N122 C123 C124 107.0(4) . . ?
C123 C124 C125 105.0(4) . . ?
N121 C125 C124 111.0(4) . . ?
N121 C125 C112 120.0(4) . . ?
C124 C125 C112 129.1(4) . . ?
N122 C131 C132 111.0(3) . . ?
C137 C132 C133 118.5(4) . . ?
C137 C132 C131 120.4(4) . . ?
C133 C132 C131 121.1(4) . . ?
C134 C133 C132 120.9(4) . . ?
C133 C134 C135 120.4(4) . . ?
C136 C135 C134 119.1(4) . . ?
C136 C135 C138 120.5(4) . . ?
C134 C135 C138 120.5(4) . . ?
C135 C136 C137 120.5(4) . . ?
C136 C137 C132 120.7(4) . . ?
N142 C138 C135 111.7(3) . . ?
C145 N141 N142 105.5(3) . . ?
C145 N141 Ag2 116.8(3) . . ?
N142 N141 Ag2 134.5(2) . . ?
C143 N142 N141 111.7(3) . . ?
C143 N142 C138 128.6(3) . . ?
N141 N142 C138 119.4(3) . . ?
N142 C143 C144 106.8(4) . . ?
C143 C144 C145 105.3(4) . . ?
N141 C145 C144 110.7(4) . . ?
N141 C145 C152 118.7(4) . . ?
C144 C145 C152 130.5(4) . . ?
C156 N151 C152 119.3(4) . . ?
C156 N151 Ag2 121.9(3) . . ?
C152 N151 Ag2 118.2(3) . . ?
N151 C152 C153 121.3(4) . . ?
N151 C152 C145 115.7(4) . . ?
C153 C152 C145 122.9(4) . . ?
C154 C153 C152 119.0(4) . . ?
C153 C154 C155 119.9(4) . . ?
C154 C155 C156 118.6(4) . . ?
N151 C156 C155 121.8(4) . . ?
N151 C156 C165 115.6(4) . . ?
C155 C156 C165 122.6(4) . . ?
C165 N161 N162 106.0(3) . . ?
C165 N161 Ag2 112.8(3) . . ?
N162 N161 Ag2 133.9(3) . . ?
N161 N162 C163 111.2(4) . . ?
N161 N162 C171 119.2(3) . . ?
C163 N162 C171 129.5(4) . . ?
N162 C163 C164 107.7(4) . . ?
C163 C164 C165 105.0(4) . . ?
N161 C165 C164 110.1(4) . . ?
N161 C165 C156 119.6(4) . . ?
C164 C165 C156 130.3(4) . . ?
N162 C171 C172 111.9(4) . . ?
C173 C172 C177 118.5(4) . . ?
C173 C172 C171 120.3(4) . . ?
C177 C172 C171 121.1(4) . . ?
C172 C173 C174 120.5(4) . . ?
C175 C174 C173 120.9(4) . . ?
C174 C175 C176 118.3(5) . . ?
C174 C175 C178 121.5(4) . . ?
C176 C175 C178 120.1(4) . . ?
C177 C176 C175 121.0(4) . . ?
C176 C177 C172 120.6(4) . . ?
N182 C178 C175 111.2(4) . . ?
C185 N181 N182 105.1(4) . . ?
C185 N181 Ag3 111.8(3) . . ?
N182 N181 Ag3 141.8(3) . . ?
C183 N182 N181 112.0(4) . . ?
C183 N182 C178 127.0(4) . . ?
N181 N182 C178 120.5(4) . . ?
N182 C183 C184 107.0(4) . . ?
C183 C184 C185 105.3(4) . . ?
N181 C185 C184 110.7(4) . . ?
N181 C185 C192 120.7(4) . . ?
C184 C185 C192 128.6(4) . . ?
C196 N191 C192 118.3(4) . . ?
C196 N191 Ag3 124.1(3) . . ?
C192 N191 Ag3 117.2(3) . . ?
N191 C192 C193 121.3(4) . . ?
N191 C192 C185 117.2(4) . . ?
C193 C192 C185 121.5(4) . . ?
C194 C193 C192 119.6(5) . . ?
C193 C194 C195 119.7(5) . . ?
C196 C195 C194 117.5(5) . . ?
N191 C196 C195 123.6(5) . . ?
C216 N211 C212 117.5(4) . . ?
C216 N211 Ag1 123.8(3) . . ?
C212 N211 Ag1 117.1(3) . . ?
N211 C212 C213 122.1(4) . . ?
N211 C212 C225 116.8(4) . . ?
C213 C212 C225 121.0(4) . . ?
C214 C213 C212 119.1(5) . . ?
C213 C214 C215 119.4(5) . . ?
C216 C215 C214 118.2(5) . . ?
N211 C216 C215 123.6(5) . . ?
C225 N221 N222 105.4(3) . . ?
C225 N221 Ag1 111.9(3) . . ?
N222 N221 Ag1 141.2(3) . . ?
C223 N222 N221 110.9(4) . . ?
C223 N222 C231 128.6(4) . . ?
N221 N222 C231 120.3(3) . . ?
N222 C223 C224 107.7(4) . . ?
C223 C224 C225 105.1(4) . . ?
N221 C225 C224 110.9(4) . . ?
N221 C225 C212 119.6(4) . . ?
C224 C225 C212 129.5(4) . . ?
N222 C231 C232 114.1(3) . . ?
C233 C232 C237 118.2(4) . . ?
C233 C232 C231 123.5(4) . . ?
C237 C232 C231 118.3(4) . . ?
C232 C233 C234 120.8(4) . . ?
C235 C234 C233 121.3(4) . . ?
C234 C235 C236 117.7(4) . . ?
C234 C235 C238 124.1(4) . . ?
C236 C235 C238 118.2(4) . . ?
C237 C236 C235 121.5(4) . . ?
C236 C237 C232 120.5(4) . . ?
N242 C238 C235 115.3(3) . . ?
C245 N241 N242 105.2(3) . . ?
C245 N241 Ag2 113.6(3) . . ?
N242 N241 Ag2 139.9(2) . . ?
C243 N242 N241 111.9(3) . . ?
C243 N242 C238 127.2(4) . . ?
N241 N242 C238 120.7(3) . . ?
N242 C243 C244 107.4(4) . . ?
C243 C244 C245 104.9(4) . . ?
N241 C245 C244 110.6(4) . . ?
N241 C245 C252 120.1(4) . . ?
C244 C245 C252 129.3(4) . . ?
C256 N251 C252 118.6(3) . . ?
C256 N251 Ag2 120.4(3) . . ?
C252 N251 Ag2 120.7(2) . . ?
N251 C252 C253 121.9(4) . . ?
N251 C252 C245 116.7(3) . . ?
C253 C252 C245 121.4(4) . . ?
C254 C253 C252 118.5(4) . . ?
C253 C254 C255 120.1(4) . . ?
C254 C255 C256 118.7(4) . . ?
N251 C256 C255 122.2(4) . . ?
N251 C256 C265 116.2(3) . . ?
C255 C256 C265 121.6(4) . . ?
C265 N261 N262 104.6(3) . . ?
C265 N261 Ag2 110.2(3) . . ?
N262 N261 Ag2 136.9(2) . . ?
C263 N262 N261 111.7(4) . . ?
C263 N262 C271 128.1(4) . . ?
N261 N262 C271 119.5(3) . . ?
N262 C263 C264 107.6(4) . . ?
C263 C264 C265 105.1(4) . . ?
N261 C265 C264 111.0(4) . . ?
N261 C265 C256 120.4(4) . . ?
C264 C265 C256 128.6(4) . . ?
N262 C271 C272 112.4(4) . . ?
C273 C272 C277 117.2(4) . . ?
C273 C272 C271 123.5(4) . . ?
C277 C272 C271 119.3(4) . . ?
C272 C273 C274 121.5(4) . . ?
C275 C274 C273 121.3(4) . . ?
C274 C275 C276 117.1(4) . . ?
C274 C275 C278 123.4(4) . . ?
C276 C275 C278 119.5(4) . . ?
C277 C276 C275 120.9(5) . . ?
C272 C277 C276 121.8(5) . . ?
N282 C278 C275 112.5(4) . . ?
C285 N281 N282 105.0(4) . . ?
C285 N281 Ag3 107.2(3) . . ?
N282 N281 Ag3 138.6(3) . . ?
C283 N282 N281 111.5(4) . . ?
C283 N282 C278 128.4(4) . . ?
N281 N282 C278 119.9(4) . . ?
N282 C283 C284 108.1(4) . . ?
C283 C284 C285 104.7(4) . . ?
N281 C285 C284 110.6(4) . . ?
N281 C285 C292 120.0(4) . . ?
C284 C285 C292 129.4(4) . . ?
C296 N291 C292 117.9(4) . . ?
C296 N291 Ag3 123.4(3) . . ?
C292 N291 Ag3 118.6(3) . . ?
N291 C292 C293 121.1(4) . . ?
N291 C292 C285 117.1(4) . . ?
C293 C292 C285 121.7(4) . . ?
C294 C293 C292 120.0(5) . . ?
C293 C294 C295 118.8(5) . . ?
C296 C295 C294 119.0(5) . . ?
N291 C296 C295 123.2(5) . . ?
F13 B10 F12 113.3(5) . . ?
F13 B10 F14 108.2(5) . . ?
F12 B10 F14 106.1(4) . . ?
F13 B10 F11 110.8(4) . . ?
F12 B10 F11 109.6(4) . . ?
F14 B10 F11 108.7(4) . . ?
F22 B20 F21 115.0(6) . . ?
F22 B20 F23 112.3(6) . . ?
F21 B20 F23 108.4(5) . . ?
F22 B20 F24 107.7(6) . . ?
F21 B20 F24 105.1(6) . . ?
F23 B20 F24 107.7(6) . . ?
F32 B30 F33 110.7(4) . . ?
F32 B30 F31 111.1(4) . . ?
F33 B30 F31 109.4(4) . . ?
F32 B30 F34 108.9(4) . . ?
F33 B30 F34 109.6(4) . . ?
F31 B30 F34 107.1(4) . . ?
O3' N1 O3 39.4(7) . . ?
O3' N1 O2 141.5(11) . . ?
O3 N1 O2 102.2(11) . . ?
O3' N1 C4 106.0(9) . . ?
O3 N1 C4 145.2(12) . . ?
O2 N1 C4 112.4(9) . . ?
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 N211 2.271(3) . ?
Ag1 N111 2.289(3) . ?
Ag1 N121 2.392(4) . ?
Ag1 N221 2.412(3) . ?
Ag2 N251 2.398(3) . ?
Ag2 N141 2.416(3) . ?
Ag2 N151 2.424(3) . ?
Ag2 N241 2.560(3) . ?
Ag2 N261 2.592(3) . ?
Ag2 N161 2.594(3) . ?
Ag3 N291 2.246(4) . ?
Ag3 N191 2.293(4) . ?
Ag3 N181 2.403(4) . ?
Ag3 N281 2.493(4) . ?
N111 C116 1.344(6) . ?
N111 C112 1.346(5) . ?
C112 C113 1.384(6) . ?
C112 C125 1.465(6) . ?
C113 C114 1.381(6) . ?
C114 C115 1.370(7) . ?
C115 C116 1.379(6) . ?
N121 C125 1.335(5) . ?
N121 N122 1.352(5) . ?
N122 C123 1.350(5) . ?
N122 C131 1.464(5) . ?
C123 C124 1.373(6) . ?
C124 C125 1.404(6) . ?
C131 C132 1.511(6) . ?
C132 C137 1.391(6) . ?
C132 C133 1.397(6) . ?
C133 C134 1.381(6) . ?
C134 C135 1.393(6) . ?
C135 C136 1.389(6) . ?
C135 C138 1.507(6) . ?
C136 C137 1.391(6) . ?
C138 N142 1.469(5) . ?
N141 C145 1.328(5) . ?
N141 N142 1.347(4) . ?
N142 C143 1.346(5) . ?
C143 C144 1.371(6) . ?
C144 C145 1.395(6) . ?
C145 C152 1.466(6) . ?
N151 C156 1.339(5) . ?
N151 C152 1.350(5) . ?
C152 C153 1.392(6) . ?
C153 C154 1.370(6) . ?
C154 C155 1.377(6) . ?
C155 C156 1.393(6) . ?
C156 C165 1.472(6) . ?
N161 C165 1.332(5) . ?
N161 N162 1.350(5) . ?
N162 C163 1.351(6) . ?
N162 C171 1.451(5) . ?
C163 C164 1.361(7) . ?
C164 C165 1.417(6) . ?
C171 C172 1.516(6) . ?
C172 C173 1.387(6) . ?
C172 C177 1.391(6) . ?
C173 C174 1.390(6) . ?
C174 C175 1.384(6) . ?
C175 C176 1.387(6) . ?
C175 C178 1.507(7) . ?
C176 C177 1.383(6) . ?
C178 N182 1.457(6) . ?
N181 C185 1.338(6) . ?
N181 N182 1.350(5) . ?
N182 C183 1.344(6) . ?
C183 C184 1.374(7) . ?
C184 C185 1.397(6) . ?
C185 C192 1.469(6) . ?
N191 C196 1.343(6) . ?
N191 C192 1.347(5) . ?
C192 C193 1.386(6) . ?
C193 C194 1.370(7) . ?
C194 C195 1.388(7) . ?
C195 C196 1.376(7) . ?
N211 C216 1.344(6) . ?
N211 C212 1.351(5) . ?
C212 C213 1.389(6) . ?
C212 C225 1.475(6) . ?
C213 C214 1.381(7) . ?
C214 C215 1.381(7) . ?
C215 C216 1.380(6) . ?
N221 C225 1.332(5) . ?
N221 N222 1.354(5) . ?
N222 C223 1.352(6) . ?
N222 C231 1.446(5) . ?
C223 C224 1.360(7) . ?
C224 C225 1.398(6) . ?
C231 C232 1.522(6) . ?
C232 C233 1.378(6) . ?
C232 C237 1.384(6) . ?
C233 C234 1.390(6) . ?
C234 C235 1.367(6) . ?
C235 C236 1.390(6) . ?
C235 C238 1.508(6) . ?
C236 C237 1.377(6) . ?
C238 N242 1.457(5) . ?
N241 C245 1.340(5) . ?
N241 N242 1.342(4) . ?
N242 C243 1.341(5) . ?
C243 C244 1.368(6) . ?
C244 C245 1.399(6) . ?
C245 C252 1.474(6) . ?
N251 C256 1.345(5) . ?
N251 C252 1.357(5) . ?
C252 C253 1.389(6) . ?
C253 C254 1.377(6) . ?
C254 C255 1.380(6) . ?
C255 C256 1.384(6) . ?
C256 C265 1.475(6) . ?
N261 C265 1.331(5) . ?
N261 N262 1.360(5) . ?
N262 C263 1.340(5) . ?
N262 C271 1.458(5) . ?
C263 C264 1.358(6) . ?
C264 C265 1.404(6) . ?
C271 C272 1.517(6) . ?
C272 C273 1.365(6) . ?
C272 C277 1.373(7) . ?
C273 C274 1.381(6) . ?
C274 C275 1.376(6) . ?
C275 C276 1.380(7) . ?
C275 C278 1.507(6) . ?
C276 C277 1.378(7) . ?
C278 N282 1.458(6) . ?
N281 C285 1.348(6) . ?
N281 N282 1.348(5) . ?
N282 C283 1.343(6) . ?
C283 C284 1.365(6) . ?
C284 C285 1.402(6) . ?
C285 C292 1.465(6) . ?
N291 C296 1.345(6) . ?
N291 C292 1.351(6) . ?
C292 C293 1.391(6) . ?
C293 C294 1.370(7) . ?
C294 C295 1.378(7) . ?
C295 C296 1.369(7) . ?
B10 F13 1.319(6) . ?
B10 F12 1.360(6) . ?
B10 F14 1.386(6) . ?
B10 F11 1.390(6) . ?
B20 F22 1.304(7) . ?
B20 F21 1.368(7) . ?
B20 F23 1.370(8) . ?
B20 F24 1.372(7) . ?
B30 F32 1.368(6) . ?
B30 F33 1.382(6) . ?
B30 F31 1.391(6) . ?
B30 F34 1.404(6) . ?
N1 O3' 1.236(10) . ?
N1 O3 1.249(13) . ?
N1 O2 1.277(9) . ?
N1 C4 1.500(12) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N211 Ag1 N111 C116 -25.5(7) . . . . ?
N121 Ag1 N111 C116 171.2(3) . . . . ?
N221 Ag1 N111 C116 55.7(3) . . . . ?
N211 Ag1 N111 C112 172.5(4) . . . . ?
N121 Ag1 N111 C112 9.1(3) . . . . ?
N221 Ag1 N111 C112 -106.4(3) . . . . ?
C116 N111 C112 C113 -0.5(6) . . . . ?
Ag1 N111 C112 C113 162.7(3) . . . . ?
C116 N111 C112 C125 -178.8(3) . . . . ?
Ag1 N111 C112 C125 -15.5(4) . . . . ?
N111 C112 C113 C114 -0.1(6) . . . . ?
C125 C112 C113 C114 178.1(4) . . . . ?
C112 C113 C114 C115 0.8(7) . . . . ?
C113 C114 C115 C116 -0.8(7) . . . . ?
C112 N111 C116 C115 0.5(6) . . . . ?
Ag1 N111 C116 C115 -161.4(3) . . . . ?
C114 C115 C116 N111 0.2(7) . . . . ?
N211 Ag1 N121 C125 -177.0(2) . . . . ?
N111 Ag1 N121 C125 -1.5(3) . . . . ?
N221 Ag1 N121 C125 98.4(3) . . . . ?
N211 Ag1 N121 N122 -5.5(5) . . . . ?
N111 Ag1 N121 N122 170.1(4) . . . . ?
N221 Ag1 N121 N122 -90.0(4) . . . . ?
C125 N121 N122 C123 -0.6(4) . . . . ?
Ag1 N121 N122 C123 -172.5(3) . . . . ?
C125 N121 N122 C131 -172.1(3) . . . . ?
Ag1 N121 N122 C131 16.0(6) . . . . ?
N121 N122 C123 C124 1.0(5) . . . . ?
C131 N122 C123 C124 171.7(4) . . . . ?
N122 C123 C124 C125 -1.0(5) . . . . ?
N122 N121 C125 C124 0.0(4) . . . . ?
Ag1 N121 C125 C124 174.6(3) . . . . ?
N122 N121 C125 C112 179.4(3) . . . . ?
Ag1 N121 C125 C112 -5.9(4) . . . . ?
C123 C124 C125 N121 0.6(5) . . . . ?
C123 C124 C125 C112 -178.8(4) . . . . ?
N111 C112 C125 N121 14.7(5) . . . . ?
C113 C112 C125 N121 -163.6(4) . . . . ?
N111 C112 C125 C124 -166.0(4) . . . . ?
C113 C112 C125 C124 15.7(6) . . . . ?
C123 N122 C131 C132 -98.7(5) . . . . ?
N121 N122 C131 C132 71.3(5) . . . . ?
N122 C131 C132 C137 71.7(5) . . . . ?
N122 C131 C132 C133 -106.7(4) . . . . ?
C137 C132 C133 C134 -2.0(6) . . . . ?
C131 C132 C133 C134 176.5(4) . . . . ?
C132 C133 C134 C135 0.2(6) . . . . ?
C133 C134 C135 C136 1.2(6) . . . . ?
C133 C134 C135 C138 -178.6(4) . . . . ?
C134 C135 C136 C137 -0.8(6) . . . . ?
C138 C135 C136 C137 179.0(4) . . . . ?
C135 C136 C137 C132 -1.0(6) . . . . ?
C133 C132 C137 C136 2.4(6) . . . . ?
C131 C132 C137 C136 -176.1(4) . . . . ?
C136 C135 C138 N142 -98.4(4) . . . . ?
C134 C135 C138 N142 81.4(4) . . . . ?
N251 Ag2 N141 C145 -176.3(3) . . . . ?
N151 Ag2 N141 C145 10.9(3) . . . . ?
N241 Ag2 N141 C145 103.9(3) . . . . ?
N261 Ag2 N141 C145 -118.5(3) . . . . ?
N161 Ag2 N141 C145 8.2(3) . . . . ?
N251 Ag2 N141 N142 -20.0(4) . . . . ?
N151 Ag2 N141 N142 167.2(4) . . . . ?
N241 Ag2 N141 N142 -99.8(3) . . . . ?
N261 Ag2 N141 N142 37.8(3) . . . . ?
N161 Ag2 N141 N142 164.5(3) . . . . ?
C145 N141 N142 C143 -1.0(4) . . . . ?
Ag2 N141 N142 C143 -159.1(3) . . . . ?
C145 N141 N142 C138 -175.7(3) . . . . ?
Ag2 N141 N142 C138 26.2(5) . . . . ?
C135 C138 N142 C143 -104.1(5) . . . . ?
C135 C138 N142 N141 69.6(4) . . . . ?
N141 N142 C143 C144 0.9(5) . . . . ?
C138 N142 C143 C144 175.0(4) . . . . ?
N142 C143 C144 C145 -0.4(5) . . . . ?
N142 N141 C145 C144 0.7(5) . . . . ?
Ag2 N141 C145 C144 163.4(3) . . . . ?
N142 N141 C145 C152 178.7(3) . . . . ?
Ag2 N141 C145 C152 -18.5(5) . . . . ?
C143 C144 C145 N141 -0.2(5) . . . . ?
C143 C144 C145 C152 -177.9(4) . . . . ?
N251 Ag2 N151 C156 13.8(6) . . . . ?
N141 Ag2 N151 C156 169.0(3) . . . . ?
N241 Ag2 N151 C156 55.8(3) . . . . ?
N261 Ag2 N151 C156 -123.1(3) . . . . ?
N161 Ag2 N151 C156 -13.1(3) . . . . ?
N251 Ag2 N151 C152 -157.5(4) . . . . ?
N141 Ag2 N151 C152 -2.2(3) . . . . ?
N241 Ag2 N151 C152 -115.4(3) . . . . ?
N261 Ag2 N151 C152 65.7(3) . . . . ?
N161 Ag2 N151 C152 175.7(3) . . . . ?
C156 N151 C152 C153 -0.6(6) . . . . ?
Ag2 N151 C152 C153 170.9(3) . . . . ?
C156 N151 C152 C145 -177.3(3) . . . . ?
Ag2 N151 C152 C145 -5.8(4) . . . . ?
N141 C145 C152 N151 16.4(5) . . . . ?
C144 C145 C152 N151 -166.0(4) . . . . ?
N141 C145 C152 C153 -160.3(4) . . . . ?
C144 C145 C152 C153 17.3(7) . . . . ?
N151 C152 C153 C154 0.0(6) . . . . ?
C145 C152 C153 C154 176.4(4) . . . . ?
C152 C153 C154 C155 0.2(7) . . . . ?
C153 C154 C155 C156 0.2(7) . . . . ?
C152 N151 C156 C155 1.0(6) . . . . ?
Ag2 N151 C156 C155 -170.1(3) . . . . ?
C152 N151 C156 C165 178.4(3) . . . . ?
Ag2 N151 C156 C165 7.3(5) . . . . ?
C154 C155 C156 N151 -0.8(7) . . . . ?
C154 C155 C156 C165 -178.1(4) . . . . ?
N251 Ag2 N161 C165 -155.7(3) . . . . ?
N141 Ag2 N161 C165 20.5(3) . . . . ?
N151 Ag2 N161 C165 17.8(3) . . . . ?
N241 Ag2 N161 C165 -92.3(3) . . . . ?
N261 Ag2 N161 C165 134.2(3) . . . . ?
N251 Ag2 N161 N162 -10.7(4) . . . . ?
N141 Ag2 N161 N162 165.6(3) . . . . ?
N151 Ag2 N161 N162 162.8(4) . . . . ?
N241 Ag2 N161 N162 52.8(4) . . . . ?
N261 Ag2 N161 N162 -80.7(4) . . . . ?
C165 N161 N162 C163 -1.6(5) . . . . ?
Ag2 N161 N162 C163 -148.3(3) . . . . ?
C165 N161 N162 C171 -177.8(4) . . . . ?
Ag2 N161 N162 C171 35.5(5) . . . . ?
N161 N162 C163 C164 1.3(6) . . . . ?
C171 N162 C163 C164 177.0(4) . . . . ?
N162 C163 C164 C165 -0.5(6) . . . . ?
N162 N161 C165 C164 1.2(5) . . . . ?
Ag2 N161 C165 C164 155.8(3) . . . . ?
N162 N161 C165 C156 -176.8(4) . . . . ?
Ag2 N161 C165 C156 -22.2(5) . . . . ?
C163 C164 C165 N161 -0.5(5) . . . . ?
C163 C164 C165 C156 177.3(4) . . . . ?
N151 C156 C165 N161 11.5(6) . . . . ?
C155 C156 C165 N161 -171.0(4) . . . . ?
N151 C156 C165 C164 -166.1(4) . . . . ?
C155 C156 C165 C164 11.3(7) . . . . ?
N161 N162 C171 C172 67.4(5) . . . . ?
C163 N162 C171 C172 -108.0(5) . . . . ?
N162 C171 C172 C173 -144.5(4) . . . . ?
N162 C171 C172 C177 36.4(5) . . . . ?
C177 C172 C173 C174 -0.7(6) . . . . ?
C171 C172 C173 C174 -179.8(4) . . . . ?
C172 C173 C174 C175 1.4(6) . . . . ?
C173 C174 C175 C176 -0.2(6) . . . . ?
C173 C174 C175 C178 -177.8(4) . . . . ?
C174 C175 C176 C177 -1.7(6) . . . . ?
C178 C175 C176 C177 175.9(4) . . . . ?
C175 C176 C177 C172 2.5(7) . . . . ?
C173 C172 C177 C176 -1.3(6) . . . . ?
C171 C172 C177 C176 177.8(4) . . . . ?
C174 C175 C178 N182 96.9(5) . . . . ?
C176 C175 C178 N182 -80.7(5) . . . . ?
N291 Ag3 N181 C185 173.9(3) . . . . ?
N191 Ag3 N181 C185 -8.0(3) . . . . ?
N281 Ag3 N181 C185 81.5(3) . . . . ?
N291 Ag3 N181 N182 9.4(5) . . . . ?
N191 Ag3 N181 N182 -172.5(5) . . . . ?
N281 Ag3 N181 N182 -83.0(5) . . . . ?
C185 N181 N182 C183 -0.5(5) . . . . ?
Ag3 N181 N182 C183 164.6(3) . . . . ?
C185 N181 N182 C178 -172.5(4) . . . . ?
Ag3 N181 N182 C178 -7.4(7) . . . . ?
C175 C178 N182 C183 -87.7(5) . . . . ?
C175 C178 N182 N181 83.0(5) . . . . ?
N181 N182 C183 C184 0.7(5) . . . . ?
C178 N182 C183 C184 172.0(4) . . . . ?
N182 C183 C184 C185 -0.6(5) . . . . ?
N182 N181 C185 C184 0.2(5) . . . . ?
Ag3 N181 C185 C184 -170.0(3) . . . . ?
N182 N181 C185 C192 179.0(4) . . . . ?
Ag3 N181 C185 C192 8.9(5) . . . . ?
C183 C184 C185 N181 0.3(5) . . . . ?
C183 C184 C185 C192 -178.5(4) . . . . ?
N291 Ag3 N191 C196 -6.0(7) . . . . ?
N181 Ag3 N191 C196 178.7(4) . . . . ?
N281 Ag3 N191 C196 54.3(4) . . . . ?
N291 Ag3 N191 C192 -178.0(4) . . . . ?
N181 Ag3 N191 C192 6.7(3) . . . . ?
N281 Ag3 N191 C192 -117.8(3) . . . . ?
C196 N191 C192 C193 1.3(7) . . . . ?
Ag3 N191 C192 C193 173.8(4) . . . . ?
C196 N191 C192 C185 -177.2(4) . . . . ?
Ag3 N191 C192 C185 -4.7(5) . . . . ?
N181 C185 C192 N191 -3.3(6) . . . . ?
C184 C185 C192 N191 175.3(4) . . . . ?
N181 C185 C192 C193 178.2(4) . . . . ?
C184 C185 C192 C193 -3.2(7) . . . . ?
N191 C192 C193 C194 0.6(8) . . . . ?
C185 C192 C193 C194 179.1(5) . . . . ?
C192 C193 C194 C195 -2.1(9) . . . . ?
C193 C194 C195 C196 1.6(9) . . . . ?
C192 N191 C196 C195 -1.8(7) . . . . ?
Ag3 N191 C196 C195 -173.8(4) . . . . ?
C194 C195 C196 N191 0.4(8) . . . . ?
N111 Ag1 N211 C216 -94.1(6) . . . . ?
N121 Ag1 N211 C216 67.4(4) . . . . ?
N221 Ag1 N211 C216 -179.5(4) . . . . ?
N111 Ag1 N211 C212 100.4(6) . . . . ?
N121 Ag1 N211 C212 -98.1(3) . . . . ?
N221 Ag1 N211 C212 15.0(3) . . . . ?
C216 N211 C212 C213 -3.3(6) . . . . ?
Ag1 N211 C212 C213 163.2(3) . . . . ?
C216 N211 C212 C225 178.8(4) . . . . ?
Ag1 N211 C212 C225 -14.8(5) . . . . ?
N211 C212 C213 C214 2.6(7) . . . . ?
C225 C212 C213 C214 -179.5(4) . . . . ?
C212 C213 C214 C215 -0.1(7) . . . . ?
C213 C214 C215 C216 -1.6(7) . . . . ?
C212 N211 C216 C215 1.4(7) . . . . ?
Ag1 N211 C216 C215 -164.0(4) . . . . ?
C214 C215 C216 N211 1.0(7) . . . . ?
N211 Ag1 N221 C225 -13.6(3) . . . . ?
N111 Ag1 N221 C225 -179.5(3) . . . . ?
N121 Ag1 N221 C225 101.8(3) . . . . ?
N211 Ag1 N221 N222 -176.1(4) . . . . ?
N111 Ag1 N221 N222 18.0(4) . . . . ?
N121 Ag1 N221 N222 -60.8(4) . . . . ?
C225 N221 N222 C223 -0.1(4) . . . . ?
Ag1 N221 N222 C223 163.2(3) . . . . ?
C225 N221 N222 C231 -175.5(4) . . . . ?
Ag1 N221 N222 C231 -12.2(6) . . . . ?
N221 N222 C223 C224 0.3(5) . . . . ?
C231 N222 C223 C224 175.2(4) . . . . ?
N222 C223 C224 C225 -0.4(5) . . . . ?
N222 N221 C225 C224 -0.2(5) . . . . ?
Ag1 N221 C225 C224 -169.0(3) . . . . ?
N222 N221 C225 C212 -179.8(3) . . . . ?
Ag1 N221 C225 C212 11.5(5) . . . . ?
C223 C224 C225 N221 0.4(5) . . . . ?
C223 C224 C225 C212 179.9(4) . . . . ?
N211 C212 C225 N221 1.3(6) . . . . ?
C213 C212 C225 N221 -176.6(4) . . . . ?
N211 C212 C225 C224 -178.2(4) . . . . ?
C213 C212 C225 C224 3.9(7) . . . . ?
C223 N222 C231 C232 -101.8(5) . . . . ?
N221 N222 C231 C232 72.7(5) . . . . ?
N222 C231 C232 C233 3.1(6) . . . . ?
N222 C231 C232 C237 -177.6(4) . . . . ?
C237 C232 C233 C234 0.3(6) . . . . ?
C231 C232 C233 C234 179.6(4) . . . . ?
C232 C233 C234 C235 -0.8(7) . . . . ?
C233 C234 C235 C236 1.1(6) . . . . ?
C233 C234 C235 C238 -178.5(4) . . . . ?
C234 C235 C236 C237 -1.1(7) . . . . ?
C238 C235 C236 C237 178.5(4) . . . . ?
C235 C236 C237 C232 0.7(7) . . . . ?
C233 C232 C237 C236 -0.3(7) . . . . ?
C231 C232 C237 C236 -179.6(4) . . . . ?
C234 C235 C238 N242 -6.3(6) . . . . ?
C236 C235 C238 N242 174.1(4) . . . . ?
N251 Ag2 N241 C245 -6.1(3) . . . . ?
N141 Ag2 N241 C245 112.8(3) . . . . ?
N151 Ag2 N241 C245 -175.9(3) . . . . ?
N261 Ag2 N241 C245 2.7(3) . . . . ?
N161 Ag2 N241 C245 -115.0(3) . . . . ?
N251 Ag2 N241 N242 -170.3(4) . . . . ?
N141 Ag2 N241 N242 -51.3(4) . . . . ?
N151 Ag2 N241 N242 19.9(4) . . . . ?
N261 Ag2 N241 N242 -161.4(3) . . . . ?
N161 Ag2 N241 N242 80.9(4) . . . . ?
C245 N241 N242 C243 0.5(4) . . . . ?
Ag2 N241 N242 C243 165.5(3) . . . . ?
C245 N241 N242 C238 176.5(3) . . . . ?
Ag2 N241 N242 C238 -18.5(6) . . . . ?
C235 C238 N242 C243 -109.2(5) . . . . ?
C235 C238 N242 N241 75.5(5) . . . . ?
N241 N242 C243 C244 -0.6(5) . . . . ?
C238 N242 C243 C244 -176.3(4) . . . . ?
N242 C243 C244 C245 0.4(5) . . . . ?
N242 N241 C245 C244 -0.3(5) . . . . ?
Ag2 N241 C245 C244 -169.8(3) . . . . ?
N242 N241 C245 C252 -178.7(3) . . . . ?
Ag2 N241 C245 C252 11.8(4) . . . . ?
C243 C244 C245 N241 -0.1(5) . . . . ?
C243 C244 C245 C252 178.2(4) . . . . ?
N141 Ag2 N251 C256 80.0(3) . . . . ?
N151 Ag2 N251 C256 -128.2(4) . . . . ?
N241 Ag2 N251 C256 -173.2(3) . . . . ?
N261 Ag2 N251 C256 13.7(3) . . . . ?
N161 Ag2 N251 C256 -103.3(3) . . . . ?
N141 Ag2 N251 C252 -106.9(3) . . . . ?
N151 Ag2 N251 C252 44.9(6) . . . . ?
N241 Ag2 N251 C252 -0.1(3) . . . . ?
N261 Ag2 N251 C252 -173.2(3) . . . . ?
N161 Ag2 N251 C252 69.8(3) . . . . ?
C256 N251 C252 C253 0.7(6) . . . . ?
Ag2 N251 C252 C253 -172.5(3) . . . . ?
C256 N251 C252 C245 179.2(3) . . . . ?
Ag2 N251 C252 C245 5.9(4) . . . . ?
N241 C245 C252 N251 -12.3(5) . . . . ?
C244 C245 C252 N251 169.6(4) . . . . ?
N241 C245 C252 C253 166.1(4) . . . . ?
C244 C245 C252 C253 -11.9(7) . . . . ?
N251 C252 C253 C254 -0.1(6) . . . . ?
C245 C252 C253 C254 -178.4(4) . . . . ?
C252 C253 C254 C255 -0.5(6) . . . . ?
C253 C254 C255 C256 0.5(6) . . . . ?
C252 N251 C256 C255 -0.8(6) . . . . ?
Ag2 N251 C256 C255 172.4(3) . . . . ?
C252 N251 C256 C265 -179.4(3) . . . . ?
Ag2 N251 C256 C265 -6.1(4) . . . . ?
C254 C255 C256 N251 0.2(6) . . . . ?
C254 C255 C256 C265 178.7(4) . . . . ?
N251 Ag2 N261 C265 -20.0(2) . . . . ?
N141 Ag2 N261 C265 -150.9(3) . . . . ?
N151 Ag2 N261 C265 149.5(2) . . . . ?
N241 Ag2 N261 C265 -28.9(3) . . . . ?
N161 Ag2 N261 C265 70.8(3) . . . . ?
N251 Ag2 N261 N262 -161.8(4) . . . . ?
N141 Ag2 N261 N262 67.3(4) . . . . ?
N151 Ag2 N261 N262 7.7(4) . . . . ?
N241 Ag2 N261 N262 -170.7(3) . . . . ?
N161 Ag2 N261 N262 -71.0(4) . . . . ?
C265 N261 N262 C263 -0.9(4) . . . . ?
Ag2 N261 N262 C263 142.2(3) . . . . ?
C265 N261 N262 C271 -172.5(3) . . . . ?
Ag2 N261 N262 C271 -29.4(5) . . . . ?
N261 N262 C263 C264 0.9(5) . . . . ?
C271 N262 C263 C264 171.5(4) . . . . ?
N262 C263 C264 C265 -0.4(5) . . . . ?
N262 N261 C265 C264 0.6(4) . . . . ?
Ag2 N261 C265 C264 -153.4(3) . . . . ?
N262 N261 C265 C256 -179.7(3) . . . . ?
Ag2 N261 C265 C256 26.2(4) . . . . ?
C263 C264 C265 N261 -0.2(5) . . . . ?
C263 C264 C265 C256 -179.7(4) . . . . ?
N251 C256 C265 N261 -15.6(5) . . . . ?
C255 C256 C265 N261 165.8(4) . . . . ?
N251 C256 C265 C264 163.9(4) . . . . ?
C255 C256 C265 C264 -14.6(6) . . . . ?
C263 N262 C271 C272 -92.6(5) . . . . ?
N261 N262 C271 C272 77.4(5) . . . . ?
N262 C271 C272 C273 -5.5(6) . . . . ?
N262 C271 C272 C277 175.1(5) . . . . ?
C277 C272 C273 C274 3.4(7) . . . . ?
C271 C272 C273 C274 -176.0(4) . . . . ?
C272 C273 C274 C275 -1.1(7) . . . . ?
C273 C274 C275 C276 -2.0(7) . . . . ?
C273 C274 C275 C278 176.8(4) . . . . ?
C274 C275 C276 C277 2.8(9) . . . . ?
C278 C275 C276 C277 -176.1(6) . . . . ?
C273 C272 C277 C276 -2.6(9) . . . . ?
C271 C272 C277 C276 176.8(5) . . . . ?
C275 C276 C277 C272 -0.5(10) . . . . ?
C274 C275 C278 N282 3.1(7) . . . . ?
C276 C275 C278 N282 -178.1(5) . . . . ?
N291 Ag3 N281 C285 -18.7(3) . . . . ?
N191 Ag3 N281 C285 177.9(3) . . . . ?
N181 Ag3 N281 C285 102.8(3) . . . . ?
N291 Ag3 N281 N282 -158.4(4) . . . . ?
N191 Ag3 N281 N282 38.2(4) . . . . ?
N181 Ag3 N281 N282 -36.9(5) . . . . ?
C285 N281 N282 C283 -0.5(5) . . . . ?
Ag3 N281 N282 C283 139.7(4) . . . . ?
C285 N281 N282 C278 -175.7(4) . . . . ?
Ag3 N281 N282 C278 -35.5(6) . . . . ?
C275 C278 N282 C283 -89.4(5) . . . . ?
C275 C278 N282 N281 84.9(5) . . . . ?
N281 N282 C283 C284 0.4(5) . . . . ?
C278 N282 C283 C284 175.1(4) . . . . ?
N282 C283 C284 C285 -0.1(5) . . . . ?
N282 N281 C285 C284 0.4(4) . . . . ?
Ag3 N281 C285 C284 -153.3(3) . . . . ?
N282 N281 C285 C292 179.5(3) . . . . ?
Ag3 N281 C285 C292 25.8(4) . . . . ?
C283 C284 C285 N281 -0.2(5) . . . . ?
C283 C284 C285 C292 -179.2(4) . . . . ?
N191 Ag3 N291 C296 -107.1(5) . . . . ?
N181 Ag3 N291 C296 67.4(4) . . . . ?
N281 Ag3 N291 C296 -171.4(4) . . . . ?
N191 Ag3 N291 C292 75.2(5) . . . . ?
N181 Ag3 N291 C292 -110.3(3) . . . . ?
N281 Ag3 N291 C292 10.9(3) . . . . ?
C296 N291 C292 C293 -0.9(6) . . . . ?
Ag3 N291 C292 C293 177.0(3) . . . . ?
C296 N291 C292 C285 -179.6(4) . . . . ?
Ag3 N291 C292 C285 -1.7(5) . . . . ?
N281 C285 C292 N291 -18.7(6) . . . . ?
C284 C285 C292 N291 160.2(4) . . . . ?
N281 C285 C292 C293 162.6(4) . . . . ?
C284 C285 C292 C293 -18.5(7) . . . . ?
N291 C292 C293 C294 0.4(7) . . . . ?
C285 C292 C293 C294 179.0(4) . . . . ?
C292 C293 C294 C295 -0.4(7) . . . . ?
C293 C294 C295 C296 0.9(8) . . . . ?
C292 N291 C296 C295 1.4(7) . . . . ?
Ag3 N291 C296 C295 -176.3(4) . . . . ?
C294 C295 C296 N291 -1.5(8) . . . . ?
