#------------------------------------------------------------------------------
#$Date: 2019-11-23 13:32:18 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233454 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/88/4348875.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_4348875
loop_
_publ_author_name
'Yue, Cheng-Yang'
'Lei, Xiao-Wu'
'Han, Yong-Fang'
'Lu, Xin-Xiu'
'Tian, Ya-Wei'
'Xu, Jing'
'Liu, Xiao-Fan'
'Xu, Xin'
_publ_section_title
;
 Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D
 Layered Silver Bromides with Visible-Light-Driven Photocatalytic
 Properties.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12193
_journal_page_last               12203
_journal_paper_doi               10.1021/acs.inorgchem.6b01770
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         C60N12H48Ni2Ag13Br17
_chemical_formula_sum            'C60 H48 Ag13 Br17 N12 Ni2'
_chemical_formula_weight         3815.30
_space_group_IT_number           54
_space_group_name_Hall           '-P 2a 2ac'
_space_group_name_H-M_alt        'P c c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P c c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5580(10)
_cell_length_b                   22.2467(17)
_cell_length_c                   28.650(2)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.52
_cell_measurement_theta_min      2.32
_cell_volume                     8641.4(11)
_computing_cell_refinement       'APEX2 Software Suite (Bruker,2005)'
_computing_data_collection       'APEX2 Software Suite (Bruker,2005)'
_computing_data_reduction        'APEX2 Software Suite (Bruker,2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0901
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            96524
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    11.201
_exptl_absorpt_correction_T_max  0.4677
_exptl_absorpt_correction_T_min  0.4005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.933
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7016
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.617
_refine_diff_density_min         -2.100
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         9931
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1294
_refine_ls_R_factor_gt           0.0629
_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)+(0.0577P)²+73.8898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                5411
_reflns_number_total             9931
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b01770_si_006.cif
_cod_data_source_block           C60N12H48Ni2Ag13Br17
_cod_original_cell_volume        8641.5(11)
_cod_original_sg_symbol_H-M      Pcca
_cod_database_code               4348875
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z-1/2'
'-x-1/2, y, 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
Ag1 Ag 0.91009(9) 0.37547(5) 0.00927(4) 0.0845(3) Uani 1 1 d .
Ag2 Ag 1.02615(8) 0.07099(5) -0.02422(4) 0.0838(4) Uani 1 1 d .
Ag3 Ag 1.2500 0.0000 0.00408(5) 0.0876(5) Uani 1 2 d S
Ag4 Ag 1.19565(10) 0.30608(6) 0.00800(5) 0.0996(4) Uani 1 1 d .
Ag5 Ag 0.99111(9) 0.23865(6) -0.00031(4) 0.0909(4) Uani 1 1 d .
Ag6 Ag 0.88576(10) 0.54291(7) -0.00550(4) 0.1087(5) Uani 1 1 d .
Ag7 Ag 0.75600(14) 0.16615(8) -0.00714(6) 0.1450(7) Uani 1 1 d .
Ni1 Ni 1.5000 -0.08933(6) -0.2500 0.0267(3) Uani 1 2 d S
Br8 Br 0.94006(8) 0.47119(5) 0.06175(3) 0.0519(3) Uani 1 1 d .
Br7 Br 0.91924(9) 0.15960(5) -0.05857(4) 0.0528(3) Uani 1 1 d .
Br6 Br 1.04905(8) 0.34198(5) -0.05244(4) 0.0533(3) Uani 1 1 d .
Br5 Br 1.21457(8) 0.09306(5) -0.05835(4) 0.0493(3) Uani 1 1 d .
Ni2 Ni 1.0000 0.40907(6) -0.2500 0.0270(3) Uani 1 2 d S
Br4 Br 0.75824(9) 0.40759(5) -0.05061(4) 0.0616(3) Uani 1 1 d .
Br3 Br 1.08742(8) 0.02452(5) 0.05708(3) 0.0500(3) Uani 1 1 d .
Br2 Br 0.83749(9) 0.27684(6) 0.05433(4) 0.0652(3) Uani 1 1 d .
Br1 Br 1.12839(10) 0.21975(7) 0.06360(4) 0.0750(4) Uani 1 1 d .
Br9 Br 0.0000 0.25051(6) 0.2500 0.0539(4) Uani 1 2 d S
N2 N 1.4189(5) -0.1521(3) -0.2119(2) 0.0271(15) Uani 1 1 d .
N4 N 0.9150(5) 0.3472(3) -0.2131(2) 0.0295(16) Uani 1 1 d .
N6 N 1.1253(5) 0.4022(3) -0.2074(2) 0.0311(16) Uani 1 1 d .
N1 N 1.6276(5) -0.0964(3) -0.2096(2) 0.0303(16) Uani 1 1 d .
N3 N 1.4471(5) -0.0164(3) -0.2114(2) 0.0302(16) Uani 1 1 d .
C1 C 1.6982(6) -0.1322(4) -0.2270(3) 0.0285(18) Uani 1 1 d .
C6 C 1.3259(6) -0.1620(4) -0.2283(3) 0.0279(18) Uani 1 1 d .
C26 C 1.1980(6) 0.3666(4) -0.2245(3) 0.0302(19) Uani 1 1 d .
N5 N 0.9433(5) 0.4814(3) -0.2129(2) 0.0325(17) Uani 1 1 d .
C16 C 0.8239(6) 0.3379(4) -0.2306(3) 0.0286(18) Uani 1 1 d .
C21 C 0.9723(6) 0.5362(4) -0.2282(3) 0.0305(19) Uani 1 1 d .
C29 C 1.2248(8) 0.4210(5) -0.1396(3) 0.047(3) Uani 1 1 d .
H29 H 1.2319 0.4396 -0.1107 0.057 Uiso 1 1 calc .
C11 C 1.4730(6) 0.0380(4) -0.2275(3) 0.0295(19) Uani 1 1 d .
C30 C 1.1388(7) 0.4285(4) -0.1655(3) 0.039(2) Uani 1 1 d .
H30 H 1.0889 0.4526 -0.1534 0.047 Uiso 1 1 calc .
C4 C 1.7308(7) -0.0778(4) -0.1433(3) 0.042(2) Uani 1 1 d .
H4 H 1.7401 -0.0589 -0.1146 0.051 Uiso 1 1 calc .
C8 C 1.2886(8) -0.2207(5) -0.1606(4) 0.048(3) Uani 1 1 d .
H8 H 1.2447 -0.2440 -0.1434 0.058 Uiso 1 1 calc .
C5 C 1.6447(7) -0.0699(4) -0.1684(3) 0.039(2) Uani 1 1 d .
H5 H 1.5963 -0.0448 -0.1562 0.046 Uiso 1 1 calc .
C28 C 1.2992(7) 0.3856(5) -0.1575(4) 0.047(3) Uani 1 1 d .
H28 H 1.3575 0.3802 -0.1409 0.057 Uiso 1 1 calc .
C13 C 1.4061(8) 0.0861(5) -0.1599(4) 0.049(3) Uani 1 1 d .
H13 H 1.3929 0.1205 -0.1425 0.059 Uiso 1 1 calc .
C27 C 1.2864(6) 0.3582(4) -0.2004(3) 0.036(2) Uani 1 1 d .
H27 H 1.3362 0.3345 -0.2130 0.043 Uiso 1 1 calc .
C14 C 1.3779(7) 0.0300(5) -0.1437(3) 0.047(3) Uani 1 1 d .
H14 H 1.3459 0.0260 -0.1151 0.057 Uiso 1 1 calc .
C15 C 1.3981(7) -0.0201(4) -0.1707(3) 0.040(2) Uani 1 1 d .
H15 H 1.3771 -0.0575 -0.1603 0.047 Uiso 1 1 calc .
C9 C 1.3821(9) -0.2106(4) -0.1444(3) 0.049(3) Uani 1 1 d .
H9 H 1.4025 -0.2258 -0.1158 0.059 Uiso 1 1 calc .
C10 C 1.4451(7) -0.1771(4) -0.1717(3) 0.037(2) Uani 1 1 d .
H10 H 1.5095 -0.1717 -0.1614 0.044 Uiso 1 1 calc .
C3 C 1.8017(7) -0.1143(5) -0.1618(3) 0.043(2) Uani 1 1 d .
H3 H 1.8603 -0.1206 -0.1457 0.051 Uiso 1 1 calc .
C18 C 0.7812(8) 0.2806(4) -0.1630(3) 0.044(2) Uani 1 1 d .
H18 H 0.7354 0.2586 -0.1459 0.053 Uiso 1 1 calc .
C12 C 1.4542(7) 0.0903(4) -0.2024(3) 0.041(2) Uani 1 1 d .
H12 H 1.4737 0.1275 -0.2140 0.050 Uiso 1 1 calc .
C7 C 1.2600(7) -0.1958(4) -0.2029(3) 0.041(2) Uani 1 1 d .
H7 H 1.1964 -0.2020 -0.2140 0.049 Uiso 1 1 calc .
C17 C 0.7560(7) 0.3037(4) -0.2059(3) 0.043(2) Uani 1 1 d .
H17 H 0.6937 0.2965 -0.2182 0.051 Uiso 1 1 calc .
C23 C 0.8991(8) 0.5832(4) -0.1619(4) 0.050(3) Uani 1 1 d .
H23 H 0.8841 0.6175 -0.1447 0.061 Uiso 1 1 calc .
C24 C 0.8696(7) 0.5280(5) -0.1462(3) 0.045(2) Uani 1 1 d .
H24 H 0.8357 0.5241 -0.1182 0.054 Uiso 1 1 calc .
C25 C 0.8909(7) 0.4791(4) -0.1727(3) 0.043(2) Uani 1 1 d .
H25 H 0.8682 0.4419 -0.1627 0.052 Uiso 1 1 calc .
C2 C 1.7874(7) -0.1417(4) -0.2040(3) 0.040(2) Uani 1 1 d .
H2 H 1.8359 -0.1660 -0.2171 0.048 Uiso 1 1 calc .
C22 C 0.9512(8) 0.5881(4) -0.2032(3) 0.043(2) Uani 1 1 d .
H22 H 0.9718 0.6255 -0.2140 0.051 Uiso 1 1 calc .
C20 C 0.9388(7) 0.3234(4) -0.1719(3) 0.039(2) Uani 1 1 d .
H20 H 1.0021 0.3297 -0.1604 0.047 Uiso 1 1 calc .
C19 C 0.8743(8) 0.2901(4) -0.1457(3) 0.044(2) Uani 1 1 d .
H19 H 0.8930 0.2744 -0.1169 0.053 Uiso 1 1 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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'
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
Br8 Ag1 Br6 119.37(6) . .
Br8 Ag1 Br2 115.77(5) . .
Br6 Ag1 Br2 109.93(5) . .
Br8 Ag1 Br4 105.01(5) . .
Br6 Ag1 Br4 100.65(5) . .
Br2 Ag1 Br4 103.41(5) . .
Br8 Ag1 Ag5 138.81(5) . .
Br6 Ag1 Ag5 56.48(4) . .
Br2 Ag1 Ag5 53.73(4) . .
Br4 Ag1 Ag5 116.12(5) . .
Br8 Ag1 Ag6 56.45(4) . 5_765
Br6 Ag1 Ag6 62.93(4) . 5_765
Br2 Ag1 Ag6 139.24(5) . 5_765
Br4 Ag1 Ag6 117.32(5) . 5_765
Ag5 Ag1 Ag6 103.20(5) . 5_765
Br8 Ag1 Ag4 126.41(5) . 6
Br6 Ag1 Ag4 112.69(5) . 6
Br2 Ag1 Ag4 51.87(4) . 6
Br4 Ag1 Ag4 51.63(4) . 6
Ag5 Ag1 Ag4 81.27(4) . 6
Ag6 Ag1 Ag4 168.32(5) 5_765 6
Br7 Ag2 Br3 141.53(6) . .
Br7 Ag2 Br5 103.99(5) . .
Br3 Ag2 Br5 95.11(5) . .
Br7 Ag2 Br3 98.05(5) . 5_755
Br3 Ag2 Br3 99.83(4) . 5_755
Br5 Ag2 Br3 121.57(6) . 5_755
Br3 Ag3 Br3 112.46(7) 2_755 .
Br3 Ag3 Br5 130.26(3) 2_755 .
Br3 Ag3 Br5 93.99(3) . .
Br3 Ag3 Br5 93.99(3) 2_755 2_755
Br3 Ag3 Br5 130.26(3) . 2_755
Br5 Ag3 Br5 99.83(6) . 2_755
Br1 Ag4 Br4 116.16(6) . 6_655
Br1 Ag4 Br2 117.79(6) . 6_655
Br4 Ag4 Br2 106.01(6) 6_655 6_655
Br1 Ag4 Br6 109.81(6) . .
Br4 Ag4 Br6 105.55(6) 6_655 .
Br2 Ag4 Br6 99.66(5) 6_655 .
Br1 Ag4 Ag5 53.21(4) . .
Br4 Ag4 Ag5 134.88(6) 6_655 .
Br2 Ag4 Ag5 117.39(5) 6_655 .
Br6 Ag4 Ag5 57.14(4) . .
Br1 Ag4 Ag7 52.61(5) . 6_655
Br4 Ag4 Ag7 137.01(6) 6_655 6_655
Br2 Ag4 Ag7 65.26(5) 6_655 6_655
Br6 Ag4 Ag7 117.33(5) . 6_655
Ag5 Ag4 Ag7 76.32(5) . 6_655
Br1 Ag4 Ag1 136.40(6) . 6_655
Br4 Ag4 Ag1 53.53(4) 6_655 6_655
Br2 Ag4 Ag1 52.57(4) 6_655 6_655
Br6 Ag4 Ag1 113.72(5) . 6_655
Ag5 Ag4 Ag1 167.13(6) . 6_655
Ag7 Ag4 Ag1 103.02(6) 6_655 6_655
Br7 Ag5 Br1 126.71(6) . .
Br7 Ag5 Br2 106.86(6) . .
Br1 Ag5 Br2 100.88(6) . .
Br7 Ag5 Br6 108.10(5) . .
Br1 Ag5 Br6 107.27(6) . .
Br2 Ag5 Br6 104.99(5) . .
Br7 Ag5 Ag4 133.98(6) . .
Br1 Ag5 Ag4 53.56(5) . .
Br2 Ag5 Ag4 118.46(5) . .
Br6 Ag5 Ag4 54.23(4) . .
Br7 Ag5 Ag1 123.96(5) . .
Br1 Ag5 Ag1 109.18(5) . .
Br2 Ag5 Ag1 53.42(4) . .
Br6 Ag5 Ag1 51.82(4) . .
Ag4 Ag5 Ag1 81.12(4) . .
Br4 Ag6 Br8 147.40(7) 2_665 .
Br4 Ag6 Br8 112.71(5) 2_665 5_765
Br8 Ag6 Br8 96.63(5) . 5_765
Br4 Ag6 Ag1 112.40(6) 2_665 5_765
Br8 Ag6 Ag1 97.10(5) . 5_765
Br8 Ag6 Ag1 49.86(4) 5_765 5_765
Br5 Ag7 Br1 126.36(8) 6 6
Br5 Ag7 Br7 123.80(7) 6 .
Br1 Ag7 Br7 103.26(6) 6 .
Br5 Ag7 Ag4 124.56(7) 6 6
Br1 Ag7 Ag4 52.74(5) 6 6
Br7 Ag7 Ag4 105.07(6) . 6
N2 Ni1 N2 96.0(4) 3_854 .
N2 Ni1 N1 78.6(3) 3_854 .
N2 Ni1 N1 95.6(3) . .
N2 Ni1 N1 95.6(3) 3_854 3_854
N2 Ni1 N1 78.6(3) . 3_854
N1 Ni1 N1 171.4(4) . 3_854
N2 Ni1 N3 93.5(3) 3_854 3_854
N2 Ni1 N3 167.8(3) . 3_854
N1 Ni1 N3 93.8(3) . 3_854
N1 Ni1 N3 92.9(3) 3_854 3_854
N2 Ni1 N3 167.8(3) 3_854 .
N2 Ni1 N3 93.5(3) . .
N1 Ni1 N3 92.9(3) . .
N1 Ni1 N3 93.8(3) 3_854 .
N3 Ni1 N3 78.2(4) 3_854 .
Ag6 Br8 Ag1 91.68(5) . .
Ag6 Br8 Ag6 83.37(5) . 5_765
Ag1 Br8 Ag6 73.69(5) . 5_765
Ag5 Br7 Ag2 93.42(5) . .
Ag5 Br7 Ag7 85.39(6) . .
Ag2 Br7 Ag7 106.93(6) . .
Ag1 Br6 Ag4 99.94(5) . .
Ag1 Br6 Ag5 71.70(4) . .
Ag4 Br6 Ag5 68.64(4) . .
Ag7 Br5 Ag3 87.89(6) 6_655 .
Ag7 Br5 Ag2 93.23(6) 6_655 .
Ag3 Br5 Ag2 78.50(3) . .
N5 Ni2 N5 78.4(4) . 3_754
N5 Ni2 N4 167.6(3) . 3_754
N5 Ni2 N4 92.7(3) 3_754 3_754
N5 Ni2 N4 92.7(3) . .
N5 Ni2 N4 167.6(3) 3_754 .
N4 Ni2 N4 97.3(4) 3_754 .
N5 Ni2 N6 93.2(3) . 3_754
N5 Ni2 N6 93.3(3) 3_754 3_754
N4 Ni2 N6 96.0(3) 3_754 3_754
N4 Ni2 N6 78.4(3) . 3_754
N5 Ni2 N6 93.3(3) . .
N5 Ni2 N6 93.2(3) 3_754 .
N4 Ni2 N6 78.4(3) 3_754 .
N4 Ni2 N6 96.0(3) . .
N6 Ni2 N6 171.6(4) 3_754 .
Ag6 Br4 Ag4 83.87(6) 2_665 6
Ag6 Br4 Ag1 111.15(5) 2_665 .
Ag4 Br4 Ag1 74.85(5) 6 .
Ag2 Br3 Ag3 81.03(5) . .
Ag2 Br3 Ag2 80.17(4) . 5_755
Ag3 Br3 Ag2 96.08(4) . 5_755
Ag4 Br2 Ag1 75.56(5) 6 .
Ag4 Br2 Ag5 103.76(5) 6 .
Ag1 Br2 Ag5 72.84(5) . .
Ag5 Br1 Ag7 96.22(6) . 6_655
Ag5 Br1 Ag4 73.23(5) . .
Ag7 Br1 Ag4 74.65(6) 6_655 .
C10 N2 C6 118.7(7) . .
C10 N2 Ni1 126.4(6) . .
C6 N2 Ni1 114.5(5) . .
C20 N4 C16 119.3(7) . .
C20 N4 Ni2 125.3(6) . .
C16 N4 Ni2 114.8(5) . .
C30 N6 C26 118.5(7) . .
C30 N6 Ni2 126.6(6) . .
C26 N6 Ni2 114.9(5) . .
C5 N1 C1 117.7(7) . .
C5 N1 Ni1 126.8(6) . .
C1 N1 Ni1 115.5(5) . .
C11 N3 C15 118.8(7) . .
C11 N3 Ni1 115.3(5) . .
C15 N3 Ni1 125.6(6) . .
N1 C1 C2 122.3(8) . .
N1 C1 C6 115.4(7) . 3_854
C2 C1 C6 122.2(8) . 3_854
N2 C6 C7 120.3(8) . .
N2 C6 C1 115.6(7) . 3_854
C7 C6 C1 124.1(8) . 3_854
N6 C26 C27 121.5(8) . .
N6 C26 C16 115.2(7) . 3_754
C27 C26 C16 123.3(8) . 3_754
C25 N5 C21 117.5(7) . .
C25 N5 Ni2 126.9(6) . .
C21 N5 Ni2 115.1(5) . .
N4 C16 C17 120.1(8) . .
N4 C16 C26 116.3(7) . 3_754
C17 C16 C26 123.5(8) . 3_754
N5 C21 C22 121.5(8) . .
N5 C21 C21 115.3(5) . 3_754
C22 C21 C21 123.2(6) . 3_754
C28 C29 C30 118.8(9) . .
C28 C29 H29 120.6 . .
C30 C29 H29 120.6 . .
N3 C11 C12 121.9(8) . .
N3 C11 C11 115.4(5) . 3_854
C12 C11 C11 122.7(5) . 3_854
N6 C30 C29 122.5(9) . .
N6 C30 H30 118.8 . .
C29 C30 H30 118.8 . .
C3 C4 C5 117.8(8) . .
C3 C4 H4 121.1 . .
C5 C4 H4 121.1 . .
C9 C8 C7 119.3(9) . .
C9 C8 H8 120.4 . .
C7 C8 H8 120.4 . .
N1 C5 C4 123.4(8) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
C29 C28 C27 119.4(9) . .
C29 C28 H28 120.3 . .
C27 C28 H28 120.3 . .
C12 C13 C14 119.1(9) . .
C12 C13 H13 120.5 . .
C14 C13 H13 120.5 . .
C28 C27 C26 119.3(8) . .
C28 C27 H27 120.4 . .
C26 C27 H27 120.4 . .
C15 C14 C13 118.8(9) . .
C15 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
N3 C15 C14 122.4(8) . .
N3 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
C8 C9 C10 118.1(9) . .
C8 C9 H9 120.9 . .
C10 C9 H9 120.9 . .
N2 C10 C9 123.6(9) . .
N2 C10 H10 118.2 . .
C9 C10 H10 118.2 . .
C4 C3 C2 120.6(9) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C19 C18 C17 119.7(9) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C13 C12 C11 119.0(9) . .
C13 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
C6 C7 C8 120.0(9) . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C18 C17 C16 119.7(9) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C24 C23 C22 120.1(9) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C25 C24 C23 118.3(9) . .
C25 C24 H24 120.8 . .
C23 C24 H24 120.8 . .
N5 C25 C24 123.9(9) . .
N5 C25 H25 118.1 . .
C24 C25 H25 118.1 . .
C3 C2 C1 118.3(8) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C23 C22 C21 118.7(9) . .
C23 C22 H22 120.6 . .
C21 C22 H22 120.6 . .
N4 C20 C19 123.1(9) . .
N4 C20 H20 118.5 . .
C19 C20 H20 118.5 . .
C20 C19 C18 118.1(8) . .
C20 C19 H19 121.0 . .
C18 C19 H19 121.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Br8 2.6382(15) .
Ag1 Br6 2.6889(16) .
Ag1 Br2 2.7295(17) .
Ag1 Br4 2.7733(16) .
Ag1 Ag5 3.2476(17) .
Ag1 Ag6 3.3121(19) 5_765
Ag1 Ag4 3.3288(18) 6
Ag2 Br7 2.6374(15) .
Ag2 Br3 2.6804(14) .
Ag2 Br5 2.7790(16) .
Ag2 Br3 2.7877(16) 5_755
Ag3 Br3 2.7316(14) 2_755
Ag3 Br3 2.7316(14) .
Ag3 Br5 2.7778(14) .
Ag3 Br5 2.7778(14) 2_755
Ag4 Br1 2.656(2) .
Ag4 Br4 2.7036(17) 6_655
Ag4 Br2 2.7038(19) 6_655
Ag4 Br6 2.7545(17) .
Ag4 Ag5 3.1618(18) .
Ag4 Ag7 3.219(2) 6_655
Ag4 Ag1 3.3288(18) 6_655
Ag5 Br7 2.6133(16) .
Ag5 Br1 2.6445(17) .
Ag5 Br2 2.7404(17) .
Ag5 Br6 2.8518(17) .
Ag6 Br4 2.5875(17) 2_665
Ag6 Br8 2.6077(15) .
Ag6 Br8 2.8761(17) 5_765
Ag6 Ag1 3.3120(19) 5_765
Ag7 Br5 2.5459(16) 6
Ag7 Br1 2.652(2) 6
Ag7 Br7 2.6628(19) .
Ag7 Ag4 3.219(2) 6
Ni1 N2 2.086(6) 3_854
Ni1 N2 2.086(7) .
Ni1 N1 2.086(7) .
Ni1 N1 2.087(7) 3_854
Ni1 N3 2.090(7) 3_854
Ni1 N3 2.090(7) .
Br8 Ag6 2.8761(17) 5_765
Br5 Ag7 2.5458(16) 6_655
Ni2 N5 2.076(7) .
Ni2 N5 2.076(7) 3_754
Ni2 N4 2.084(7) 3_754
Ni2 N4 2.084(7) .
Ni2 N6 2.098(7) 3_754
Ni2 N6 2.098(7) .
Br4 Ag6 2.5874(17) 2_665
Br4 Ag4 2.7037(17) 6
Br3 Ag2 2.7877(16) 5_755
Br2 Ag4 2.7038(19) 6
Br1 Ag7 2.652(2) 6_655
N2 C10 1.327(10) .
N2 C6 1.363(10) .
N4 C20 1.332(10) .
N4 C16 1.349(10) .
N6 C30 1.349(11) .
N6 C26 1.356(10) .
N1 C5 1.340(11) .
N1 C1 1.341(10) .
N3 C11 1.343(10) .
N3 C15 1.344(11) .
C1 C2 1.392(12) .
C1 C6 1.478(11) 3_854
C6 C7 1.378(12) .
C6 C1 1.478(11) 3_854
C26 C27 1.396(12) .
C26 C16 1.468(11) 3_754
N5 C25 1.352(11) .
N5 C21 1.354(10) .
C16 C17 1.387(12) .
C16 C26 1.468(11) 3_754
C21 C22 1.388(12) .
C21 C21 1.460(17) 3_754
C29 C28 1.380(14) .
C29 C30 1.391(13) .
C29 H29 0.9300 .
C11 C12 1.392(12) .
C11 C11 1.481(16) 3_854
C30 H30 0.9300 .
C4 C3 1.367(13) .
C4 C5 1.384(13) .
C4 H4 0.9300 .
C8 C9 1.368(15) .
C8 C7 1.386(13) .
C8 H8 0.9300 .
C5 H5 0.9300 .
C28 C27 1.382(13) .
C28 H28 0.9300 .
C13 C12 1.384(13) .
C13 C14 1.387(14) .
C13 H13 0.9300 .
C27 H27 0.9300 .
C14 C15 1.383(13) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C9 C10 1.377(13) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C3 C2 1.368(13) .
C3 H3 0.9300 .
C18 C19 1.373(14) .
C18 C17 1.373(13) .
C18 H18 0.9300 .
C12 H12 0.9300 .
C7 H7 0.9300 .
C17 H17 0.9300 .
C23 C24 1.366(14) .
C23 C22 1.383(14) .
C23 H23 0.9300 .
C24 C25 1.358(13) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C2 H2 0.9300 .
C22 H22 0.9300 .
C20 C19 1.371(13) .
C20 H20 0.9300 .
C19 H19 0.9300 .
