#------------------------------------------------------------------------------
#$Date: 2022-11-09 00:54:40 +0200 (Wed, 09 Nov 2022) $
#$Revision: 279119 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/09/7130964.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_7130964
loop_
_publ_author_name
'Guo, Zhongnan'
'Ruan, Hang'
'Lin, Jiawei'
'Sun, Fan'
'Liu, Kunjie'
'Chen, Xin'
'Zhao, Jing'
'Yuan, Wenxia'
_publ_section_title
;
 (BA)10AgBi2Br19: a one-dimensional halide double perovskite with unique
 Br trimer
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC05128A
_journal_year                    2022
_chemical_formula_moiety
'Ag Bi2 Br14, 1.67(Br3), 2(C4 H10 N), 8(C4 H12 N)'
_chemical_formula_sum            'C40 H120 Ag Bi2 Br19 N10 O0.25'
_chemical_formula_weight         2789.57
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_block_doi                 10.5517/ccdc.csd.cc2d1rv2
_audit_creation_date             2022-09-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-09-09 deposited with the CCDC.	2022-11-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.856(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.453(2)
_cell_length_b                   8.0862(6)
_cell_length_c                   36.082(3)
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.875
_cell_measurement_theta_min      2.344
_cell_volume                     9061.9(12)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0974
_diffrn_reflns_av_unetI/netI     0.0732
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            48211
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.359
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_exptl_absorpt_coefficient_mu    12.496
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_description       needle
_exptl_crystal_F_000             5240
_refine_diff_density_max         2.046
_refine_diff_density_min         -1.497
_refine_diff_density_rms         0.225
_refine_ls_extinction_coef       0.00046(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         7933
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0999P)²+167.2776P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1990
_refine_ls_wR_factor_ref         0.2234
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5491
_reflns_number_total             7933
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc05128a2.cif
_cod_data_source_block           platon_pl
_cod_database_code               7130964
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C4-C3
 1.54 with sigma of 0.02
 C11-C10
 1.54 with sigma of 0.02
 C2-C3
 1.54 with sigma of 0.02
 C10-C9
 1.54 with sigma of 0.02
 C5-C6
 1.54 with sigma of 0.02
 C7-C8
 1.54 with sigma of 0.02
 C14-C15
 1.54 with sigma of 0.02
 C14-C13
 1.54 with sigma of 0.02
3. Rigid bond restraints
 N5, C17, C18, C19, C20
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
N5 \\sim C17 \\sim C18 \\sim C19 \\sim C20: within 2A with sigma of 0.04 and
sigma for terminal atoms of 0.08
Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(N5) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms
of 0.2
Uanis(N4) = Uanis(C16) = Uanis(C15) = Uanis(C14)
Uanis(N4) = Uanis(C16) = Uanis(C15) = Uanis(C14) = Uanis(C13)
Uanis(N1) = Uanis(C4) = Uanis(C3) = Uanis(C2) = Uanis(C1)
Uanis(C9) = Uanis(C10) = Uanis(C11) = Uanis(C12) = Uanis(N3)
5.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C16(H16A,H16B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,
 H12B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C2(H2D,H2E), C3(H3D,H3E), C4(H4A,
 H4B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B)
5.b Me refined with riding coordinates:
 N4(H4C,H4D,H4E), N3(H3A,H3B,H3C), C9(H9A,H9B,H9C), N2(H2A,H2B,H2C), C5(H5A,
 H5B,H5C), N1(H1A,H1B,H1C), C1(H1D,H1E,H1F), N5(H5D,H5E,H5F), C17(H17A,H17B,
 H17C)
5.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.28433(2) 0.75705(5) 0.12128(2) 0.0534(2) Uani 1 1 d . . . . .
Ag1 Ag 0.2500 0.2500 0.0000 0.0678(5) Uani 1 2 d S T P . .
Br1 Br 0.37360(7) 0.7000(2) 0.13372(6) 0.0899(6) Uani 1 1 d . . . . .
Br2 Br 0.28433(7) 0.5105(2) 0.17722(5) 0.0825(6) Uani 1 1 d . . . . .
Br3 Br 0.30316(7) 1.01678(19) 0.17675(5) 0.0805(5) Uani 1 1 d . . . . .
Br4 Br 0.28191(7) 0.9876(2) 0.06107(5) 0.0833(6) Uani 1 1 d . . . . .
Br5 Br 0.19462(6) 0.8155(2) 0.10905(5) 0.0776(5) Uani 1 1 d . . . . .
Br6 Br 0.26258(7) 0.51121(19) 0.06226(4) 0.0799(5) Uani 1 1 d . . . . .
Br7 Br 0.17037(7) 0.2072(2) 0.00040(6) 0.0913(6) Uani 1 1 d . . . . .
Br8 Br 0.41714(17) 0.2952(6) 0.22451(13) 0.2135(19) Uani 1 1 d . . . . .
Br9 Br 0.5000 0.2931(5) 0.2500 0.1504(16) Uani 1 2 d S T P . .
Br1A Br 0.18938(7) 0.2270(2) 0.21259(5) 0.0826(6) Uani 1 1 d . . . . .
N4 N 0.2077(11) 0.245(3) 0.1141(10) 0.200(8) Uani 1 1 d . . . . .
H4C H 0.2300 0.3132 0.1179 0.240 Uiso 1 1 calc R . . . .
H4D H 0.2095 0.1894 0.1358 0.240 Uiso 1 1 calc R . . . .
H4E H 0.2079 0.1738 0.0953 0.240 Uiso 1 1 calc R . . . .
C13 C 0.0573(11) 0.235(3) 0.0803(12) 0.200(8) Uani 1 1 d D . . . .
H13A H 0.0683 0.1246 0.0821 0.300 Uiso 1 1 calc GR . . . .
H13B H 0.0355 0.2497 0.0560 0.300 Uiso 1 1 calc GR . . . .
H13C H 0.0451 0.2550 0.1012 0.300 Uiso 1 1 calc GR . . . .
C14 C 0.0936(11) 0.357(3) 0.0830(11) 0.200(8) Uani 1 1 d D . . . .
H14A H 0.0954 0.4421 0.1023 0.240 Uiso 1 1 calc R . . . .
H14B H 0.0927 0.4058 0.0583 0.240 Uiso 1 1 calc R . . . .
C15 C 0.1285(12) 0.225(4) 0.0961(13) 0.200(8) Uani 1 1 d D . . . .
C16 C 0.1699(14) 0.335(4) 0.1035(12) 0.200(8) Uani 1 1 d . . . . .
H16A H 0.1686 0.3968 0.0802 0.240 Uiso 1 1 calc R . . . .
H16B H 0.1703 0.4136 0.1239 0.240 Uiso 1 1 calc R . . . .
N3 N 0.2219(7) 0.829(3) 0.2168(6) 0.139(4) Uani 1 1 d . . . . .
H3A H 0.2444 0.8374 0.2378 0.166 Uiso 1 1 calc R . . . .
H3B H 0.2306 0.7906 0.1972 0.166 Uiso 1 1 calc R . . . .
H3C H 0.2101 0.9287 0.2107 0.166 Uiso 1 1 calc R . . . .
C9 C 0.0826(8) 0.763(3) 0.1534(8) 0.139(4) Uani 1 1 d D . . . .
H9A H 0.0634 0.8524 0.1424 0.208 Uiso 1 1 calc R . . . .
H9B H 0.0899 0.7041 0.1330 0.208 Uiso 1 1 calc R . . . .
H9C H 0.0687 0.6892 0.1668 0.208 Uiso 1 1 calc R . . . .
C10 C 0.1251(8) 0.835(3) 0.1828(7) 0.139(4) Uani 1 1 d D . . . .
H10A H 0.1413 0.9057 0.1704 0.166 Uiso 1 1 calc R . . . .
H10B H 0.1198 0.8906 0.2047 0.166 Uiso 1 1 calc R . . . .
C11 C 0.1445(9) 0.671(3) 0.1925(7) 0.139(4) Uani 1 1 d D . . . .
H11A H 0.1489 0.6167 0.1700 0.166 Uiso 1 1 calc R . . . .
H11B H 0.1270 0.6008 0.2037 0.166 Uiso 1 1 calc R . . . .
C12 C 0.1906(10) 0.718(3) 0.2244(8) 0.139(4) Uani 1 1 d . . . . .
H12A H 0.1835 0.7618 0.2468 0.166 Uiso 1 1 calc R . . . .
H12B H 0.2054 0.6142 0.2324 0.166 Uiso 1 1 calc R . . . .
N2 N 0.3506(8) 1.277(2) 0.1176(9) 0.155(11) Uani 1 1 d . . . . .
H2A H 0.3353 1.2206 0.1301 0.185 Uiso 1 1 calc R . . . .
H2B H 0.3578 1.3752 0.1290 0.185 Uiso 1 1 calc R . . . .
H2C H 0.3350 1.2925 0.0931 0.185 Uiso 1 1 calc R . . . .
C5 C 0.4714(16) 1.281(7) 0.0722(18) 0.31(3) Uani 1 1 d D . . . .
H5A H 0.4961 1.2307 0.0674 0.468 Uiso 1 1 calc R . . . .
H5B H 0.4502 1.3034 0.0480 0.468 Uiso 1 1 calc R . . . .
H5C H 0.4797 1.3827 0.0861 0.468 Uiso 1 1 calc R . . . .
C6 C 0.452(2) 1.164(7) 0.096(2) 0.32(3) Uani 1 1 d D . . . .
H6A H 0.4424 1.0609 0.0829 0.379 Uiso 1 1 calc R . . . .
H6B H 0.4724 1.1414 0.1215 0.379 Uiso 1 1 calc R . . . .
C7 C 0.4179(17) 1.271(6) 0.0982(13) 0.23(2) Uani 1 1 d D . . . .
H7A H 0.4014 1.3014 0.0721 0.278 Uiso 1 1 calc R . . . .
H7B H 0.4298 1.3709 0.1119 0.278 Uiso 1 1 calc R . . . .
C8 C 0.3879(16) 1.190(4) 0.1185(12) 0.194(17) Uani 1 1 d D . . . .
H8A H 0.3795 1.0821 0.1068 0.233 Uiso 1 1 calc R . . . .
H8B H 0.4040 1.1711 0.1453 0.233 Uiso 1 1 calc R . . . .
N1 N 0.1840(9) 0.798(3) 0.0027(8) 0.179(6) Uani 1 1 d . . . . .
H1A H 0.2007 0.7758 -0.0124 0.215 Uiso 1 1 calc R . . . .
H1B H 0.1805 0.9067 0.0037 0.215 Uiso 1 1 calc R . . . .
H1C H 0.1964 0.7594 0.0264 0.215 Uiso 1 1 calc R . . . .
C1 C 0.0453(12) 0.770(3) 0.0133(11) 0.179(6) Uani 1 1 d . . . . .
H1D H 0.0146 0.7664 0.0019 0.268 Uiso 1 1 calc R . . . .
H1E H 0.0536 0.6888 0.0334 0.268 Uiso 1 1 calc R . . . .
H1F H 0.0534 0.8782 0.0240 0.268 Uiso 1 1 calc R . . . .
C2 C 0.0685(10) 0.733(4) -0.0188(10) 0.179(6) Uani 1 1 d D . . . .
H2D H 0.0631 0.6230 -0.0296 0.215 Uiso 1 1 calc R . . . .
H2E H 0.0628 0.8159 -0.0392 0.215 Uiso 1 1 calc R . . . .
C3 C 0.1128(10) 0.752(4) 0.0113(10) 0.179(6) Uani 1 1 d D . . . .
H3D H 0.1172 0.8633 0.0219 0.215 Uiso 1 1 calc R . . . .
H3E H 0.1169 0.6729 0.0322 0.215 Uiso 1 1 calc R . . . .
C4 C 0.1412(11) 0.717(4) -0.0136(11) 0.179(6) Uani 1 1 d D . . . .
H4A H 0.1278 0.7573 -0.0396 0.215 Uiso 1 1 calc R . . . .
H4B H 0.1450 0.5981 -0.0151 0.215 Uiso 1 1 calc R . . . .
N5 N 0.3779(6) 0.718(3) 0.2323(6) 0.140(8) Uani 1 1 d . U . . .
H5D H 0.3683 0.7576 0.2083 0.168 Uiso 1 1 calc R . . . .
H5E H 0.3808 0.6088 0.2314 0.168 Uiso 1 1 calc R . . . .
H5F H 0.3593 0.7425 0.2454 0.168 Uiso 1 1 calc R . . . .
C17 C 0.5021(10) 0.739(6) 0.3434(14) 0.29(2) Uani 1 1 d . U . . .
H17A H 0.5314 0.7763 0.3496 0.438 Uiso 1 1 calc R . . . .
H17B H 0.4882 0.7890 0.3606 0.438 Uiso 1 1 calc R . . . .
H17C H 0.5017 0.6206 0.3460 0.438 Uiso 1 1 calc R . . . .
C18 C 0.4809(10) 0.782(6) 0.3061(13) 0.249(15) Uani 1 1 d . U . . .
H18A H 0.4839 0.9005 0.3045 0.299 Uiso 1 1 calc R . . . .
H18B H 0.4973 0.7337 0.2901 0.299 Uiso 1 1 calc R . . . .
C19 C 0.4388(9) 0.747(5) 0.2878(11) 0.213(13) Uani 1 1 d . U . . .
H19A H 0.4358 0.6285 0.2893 0.256 Uiso 1 1 calc R . . . .
H19B H 0.4224 0.7955 0.3036 0.256 Uiso 1 1 calc R . . . .
C20 C 0.4180(12) 0.789(5) 0.2509(11) 0.205(13) Uani 1 1 d . U . . .
H20A H 0.4371 0.7651 0.2353 0.246 Uiso 1 1 calc R . . . .
H20B H 0.4141 0.9085 0.2503 0.246 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
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
Br1 Bi1 Br3 90.44(6) . . ?
Br1 Bi1 Br4 91.61(6) . . ?
Br1 Bi1 Br5 179.74(6) . . ?
Br1 Bi1 Br6 91.43(6) . . ?
Br2 Bi1 Br1 89.07(6) . . ?
Br2 Bi1 Br3 93.60(5) . . ?
Br2 Bi1 Br4 175.99(5) . . ?
Br2 Bi1 Br5 90.92(6) . . ?
Br2 Bi1 Br6 89.44(5) . . ?
Br3 Bi1 Br4 90.35(5) . . ?
Br3 Bi1 Br5 89.31(6) . . ?
Br3 Bi1 Br6 176.46(6) . . ?
Br4 Bi1 Br5 88.42(6) . . ?
Br4 Bi1 Br6 86.59(5) . . ?
Br6 Bi1 Br5 88.82(6) . . ?
Br4 Ag1 Br4 180.00(6) 7_565 1_545 ?
Br4 Ag1 Br6 89.73(5) 1_545 7 ?
Br4 Ag1 Br6 90.27(5) 7_565 7 ?
Br4 Ag1 Br6 90.28(5) 1_545 . ?
Br4 Ag1 Br6 89.72(5) 7_565 . ?
Br6 Ag1 Br6 180.0 . 7 ?
Br7 Ag1 Br4 88.08(6) 7 1_545 ?
Br7 Ag1 Br4 91.92(6) 7 7_565 ?
Br7 Ag1 Br4 91.92(6) . 1_545 ?
Br7 Ag1 Br4 88.08(6) . 7_565 ?
Br7 Ag1 Br6 89.48(6) . 7 ?
Br7 Ag1 Br6 90.52(6) . . ?
Br7 Ag1 Br6 90.52(6) 7 7 ?
Br7 Ag1 Br6 89.48(6) 7 . ?
Br7 Ag1 Br7 180.0 7 . ?
Bi1 Br4 Ag1 160.99(8) . 1_565 ?
Bi1 Br6 Ag1 173.61(8) . . ?
Br8 Br9 Br8 179.2(3) . 2_655 ?
C13 C14 C15 93(2) . . ?
C14 C15 C16 100(3) . . ?
N4 C16 C15 113(3) . . ?
C11 C10 C9 93.5(19) . . ?
C10 C11 C12 101.5(19) . . ?
N3 C12 C11 124(2) . . ?
C7 C6 C5 96(5) . . ?
C6 C7 C8 112(5) . . ?
N2 C8 C7 116(3) . . ?
C3 C2 C1 91(2) . . ?
C4 C3 C2 100(3) . . ?
C3 C4 N1 110(3) . . ?
C19 C18 C17 125(4) . . ?
C20 C19 C18 125(4) . . ?
C19 C20 N5 120(3) . . ?
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
Bi1 Br1 2.838(2) . ?
Bi1 Br2 2.8371(15) . ?
Bi1 Br3 2.8427(15) . ?
Bi1 Br4 2.8466(15) . ?
Bi1 Br5 2.8547(19) . ?
Bi1 Br6 2.8485(14) . ?
Ag1 Br4 3.0177(15) 1_545 ?
Ag1 Br4 3.0177(15) 7_565 ?
Ag1 Br6 3.0237(14) 7 ?
Ag1 Br6 3.0236(14) . ?
Ag1 Br7 2.612(2) 7 ?
Ag1 Br7 2.612(2) . ?
Br4 Ag1 3.0176(15) 1_565 ?
Br8 Br9 2.578(5) . ?
Br9 Br8 2.578(5) 2_655 ?
N4 C16 1.38(4) . ?
C13 C14 1.513(18) . ?
C14 C15 1.528(19) . ?
C15 C16 1.57(5) . ?
N3 C12 1.44(3) . ?
C9 C10 1.586(18) . ?
C10 C11 1.465(18) . ?
C11 C12 1.64(3) . ?
N2 C8 1.40(5) . ?
C5 C6 1.529(19) . ?
C6 C7 1.43(6) . ?
C7 C8 1.524(19) . ?
N1 C4 1.50(4) . ?
C1 C2 1.58(4) . ?
C2 C3 1.537(19) . ?
C3 C4 1.488(18) . ?
N5 C20 1.40(4) . ?
C17 C18 1.37(5) . ?
C18 C19 1.36(4) . ?
C19 C20 1.35(5) . ?
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
C13 C14 C15 C16 -176(3) . . . . ?
C14 C15 C16 N4 -177(3) . . . . ?
C9 C10 C11 C12 -179(2) . . . . ?
C10 C11 C12 N3 -57(3) . . . . ?
C5 C6 C7 C8 176(5) . . . . ?
C6 C7 C8 N2 -173(4) . . . . ?
C1 C2 C3 C4 179(2) . . . . ?
C2 C3 C4 N1 155(3) . . . . ?
C17 C18 C19 C20 -180(5) . . . . ?
C18 C19 C20 N5 166(4) . . . . ?
