#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/48/7214847.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_7214847
loop_
_publ_author_name
'Cheng, Lin'
'Zhang, Limin'
'Cao, Qingna'
'Gou, Shaohua'
'Zhang, Xiuying'
'Fang, Lei'
_publ_section_title
;
 Temperature-induced chiral Ag(i) coordination polymers with structural
 variation from 1D to 2D: synthesis, luminescence and SHG response
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              7502
_journal_paper_doi               10.1039/c2ce26198g
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C36 H48 Ag2.5 B2.5 F10 N8'
_chemical_formula_weight         1079.52
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 111.702(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.97(3)
_cell_length_b                   15.082(16)
_cell_length_c                   13.040(14)
_cell_measurement_temperature    173(2)
_cell_volume                     4380(9)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997);
PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0571
_diffrn_reflns_av_sigmaI/netI    0.1046
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11300
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    1.190
_exptl_absorpt_correction_T_max  0.8324
_exptl_absorpt_correction_T_min  0.7552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         7.635
_refine_diff_density_min         -1.806
_refine_diff_density_rms         0.264
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         6747
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1479
_refine_ls_R_factor_gt           0.1228
_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)+(0.0100P)²+350.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2479
_refine_ls_wR_factor_ref         0.2669
_reflns_number_gt                5220
_reflns_number_total             6747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26198g.txt
_cod_data_source_block           3
_cod_original_cell_volume        4380(8)
_cod_original_sg_symbol_H-M      C2
_cod_original_formula_sum        'C36 H48 Ag2.50 B2.50 F10 N8'
_cod_database_code               7214847
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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 0.70854(6) 0.70843(14) 1.41006(12) 0.0342(4) Uani 1 1 d .
Ag2 Ag 0.73176(7) 0.78983(13) 1.20894(14) 0.0373(4) Uani 1 1 d .
Ag3 Ag 0.5000 0.51167(19) 1.5000 0.0600(9) Uani 1 2 d S
C1 C 0.7566(10) 0.5971(15) 1.1797(18) 0.038(2) Uani 1 1 d .
H1A H 0.7200 0.6066 1.1190 0.045 Uiso 1 1 calc R
C2 C 0.7867(9) 0.5120(16) 1.1892(17) 0.038(2) Uani 1 1 d .
H2A H 0.7702 0.4648 1.1389 0.045 Uiso 1 1 calc R
C3 C 0.8425(9) 0.5045(15) 1.2786(17) 0.038(2) Uani 1 1 d .
H3A H 0.8666 0.4532 1.2861 0.045 Uiso 1 1 calc R
C4 C 0.8597(10) 0.5651(15) 1.3469(18) 0.038(2) Uani 1 1 d .
H4A H 0.8965 0.5582 1.4078 0.045 Uiso 1 1 calc R
C5 C 0.8264(10) 0.6448(15) 1.3379(17) 0.038(2) Uani 1 1 d .
C6 C 0.8462(9) 0.7172(16) 1.4279(17) 0.0380(15) Uani 1 1 d .
H6A H 0.8898 0.7109 1.4707 0.046 Uiso 1 1 calc R
H6B H 0.8396 0.7761 1.3919 0.046 Uiso 1 1 calc R
C7 C 0.8299(9) 0.7704(15) 1.5928(18) 0.0380(15) Uani 1 1 d .
H7A H 0.8306 0.8326 1.5669 0.046 Uiso 1 1 calc R
C8 C 0.8946(9) 0.7455(14) 1.6815(19) 0.0380(15) Uani 1 1 d .
H8A H 0.8928 0.6889 1.7187 0.046 Uiso 1 1 calc R
H8B H 0.9241 0.7390 1.6451 0.046 Uiso 1 1 calc R
C9 C 0.9128(9) 0.8213(14) 1.7649(19) 0.0380(15) Uani 1 1 d .
H9A H 0.9541 0.8106 1.8184 0.046 Uiso 1 1 calc R
H9B H 0.9131 0.8774 1.7258 0.046 Uiso 1 1 calc R
C10 C 0.8752(9) 0.8296(15) 1.8202(19) 0.0380(15) Uani 1 1 d .
H10A H 0.8879 0.8818 1.8693 0.046 Uiso 1 1 calc R
H10B H 0.8801 0.7768 1.8678 0.046 Uiso 1 1 calc R
C11 C 0.8078(9) 0.8398(15) 1.7494(19) 0.0380(15) Uani 1 1 d .
H11A H 0.8004 0.8984 1.7127 0.046 Uiso 1 1 calc R
H11B H 0.7840 0.8362 1.7972 0.046 Uiso 1 1 calc R
C12 C 0.7881(9) 0.7656(14) 1.6615(18) 0.0380(15) Uani 1 1 d .
H12A H 0.7902 0.7060 1.6964 0.046 Uiso 1 1 calc R
C13 C 0.6798(9) 0.7609(14) 1.6390(19) 0.0380(15) Uani 1 1 d .
H13A H 0.6933 0.7072 1.6853 0.046 Uiso 1 1 calc R
H13B H 0.6765 0.8105 1.6861 0.046 Uiso 1 1 calc R
C14 C 0.6192(11) 0.7442(16) 1.5430(18) 0.044(2) Uani 1 1 d .
C15 C 0.5829(10) 0.8145(17) 1.4750(18) 0.044(2) Uani 1 1 d .
H15A H 0.5937 0.8755 1.4800 0.053 Uiso 1 1 calc R
C16 C 0.5271(10) 0.7767(17) 1.3971(18) 0.044(2) Uani 1 1 d .
H16A H 0.4983 0.8167 1.3500 0.053 Uiso 1 1 calc R
C17 C 0.5141(10) 0.6953(16) 1.3876(17) 0.044(2) Uani 1 1 d .
H17A H 0.4771 0.6779 1.3324 0.053 Uiso 1 1 calc R
C18 C 0.6016(11) 0.6560(17) 1.5227(18) 0.044(2) Uani 1 1 d .
H18A H 0.6286 0.6110 1.5629 0.053 Uiso 1 1 calc R
C19 C 0.6077(9) 0.5947(13) 1.2531(17) 0.0318(18) Uani 1 1 d .
H19A H 0.6365 0.5513 1.2917 0.038 Uiso 1 1 calc R
C20 C 0.5522(9) 0.5663(13) 1.1851(17) 0.0318(18) Uani 1 1 d .
H20A H 0.5428 0.5049 1.1772 0.038 Uiso 1 1 calc R
C21 C 0.5094(9) 0.6299(13) 1.1273(17) 0.0318(18) Uani 1 1 d .
H21A H 0.4701 0.6132 1.0799 0.038 Uiso 1 1 calc R
C22 C 0.5279(8) 0.7236(13) 1.1429(16) 0.0318(18) Uani 1 1 d .
H22A H 0.5017 0.7697 1.1035 0.038 Uiso 1 1 calc R
C23 C 0.5842(9) 0.7413(13) 1.2165(18) 0.0318(18) Uani 1 1 d .
C24 C 0.6057(9) 0.8405(15) 1.2303(19) 0.0346(15) Uani 1 1 d .
H24A H 0.5708 0.8811 1.2101 0.042 Uiso 1 1 calc R
H24B H 0.6322 0.8524 1.3077 0.042 Uiso 1 1 calc R
C25 C 0.6387(8) 0.9544(15) 1.1391(19) 0.0346(15) Uani 1 1 d .
H25A H 0.6475 0.9866 1.2104 0.042 Uiso 1 1 calc R
C26 C 0.5809(8) 0.9869(14) 1.0516(18) 0.0346(15) Uani 1 1 d .
H26A H 0.5739 0.9545 0.9819 0.042 Uiso 1 1 calc R
H26B H 0.5470 0.9742 1.0752 0.042 Uiso 1 1 calc R
C27 C 0.5832(8) 1.0830(14) 1.0320(19) 0.0346(15) Uani 1 1 d .
H27A H 0.5899 1.1157 1.1015 0.042 Uiso 1 1 calc R
H27B H 0.5444 1.1026 0.9765 0.042 Uiso 1 1 calc R
C28 C 0.6323(8) 1.1036(15) 0.9921(19) 0.0346(15) Uani 1 1 d .
H28A H 0.6248 1.0719 0.9218 0.042 Uiso 1 1 calc R
H28B H 0.6322 1.1680 0.9773 0.042 Uiso 1 1 calc R
C29 C 0.6908(8) 1.0786(14) 1.0708(19) 0.0346(15) Uani 1 1 d .
H29A H 0.6989 1.1090 1.1422 0.042 Uiso 1 1 calc R
H29B H 0.7226 1.0950 1.0429 0.042 Uiso 1 1 calc R
C30 C 0.6891(8) 0.9766(14) 1.0853(19) 0.0346(15) Uani 1 1 d .
H30A H 0.6769 0.9477 1.0112 0.042 Uiso 1 1 calc R
C31 C 0.7987(8) 0.9396(15) 1.1168(18) 0.0346(15) Uani 1 1 d .
H31A H 0.7864 0.9072 1.0459 0.042 Uiso 1 1 calc R
H31B H 0.8066 1.0020 1.1030 0.042 Uiso 1 1 calc R
C32 C 0.8521(10) 0.9009(16) 1.194(2) 0.043(2) Uani 1 1 d .
C33 C 0.8714(9) 0.8211(15) 1.188(2) 0.043(2) Uani 1 1 d .
H33A H 0.8483 0.7860 1.1259 0.052 Uiso 1 1 calc R
C34 C 0.9219(9) 0.7838(18) 1.2616(18) 0.043(2) Uani 1 1 d .
H34A H 0.9313 0.7228 1.2599 0.052 Uiso 1 1 calc R
C35 C 0.9586(10) 0.8425(15) 1.340(2) 0.043(2) Uani 1 1 d .
H35A H 0.9967 0.8218 1.3886 0.052 Uiso 1 1 calc R
C36 C 0.8912(9) 0.9556(16) 1.2682(19) 0.043(2) Uani 1 1 d .
H36A H 0.8830 1.0174 1.2648 0.052 Uiso 1 1 calc R
N1 N 0.7774(8) 0.6597(12) 1.2499(14) 0.038(2) Uani 1 1 d .
N2 N 0.8143(7) 0.7131(14) 1.5031(14) 0.0380(15) Uani 1 1 d .
H2B H 0.8237 0.6573 1.5351 0.046 Uiso 1 1 calc R
N3 N 0.7250(7) 0.7849(14) 1.5789(14) 0.0380(15) Uani 1 1 d .
H3B H 0.7221 0.8455 1.5643 0.046 Uiso 1 1 calc R
N4 N 0.5491(9) 0.6326(13) 1.4502(15) 0.044(2) Uani 1 1 d .
N5 N 0.6237(7) 0.6803(10) 1.2687(14) 0.0318(18) Uani 1 1 d .
N6 N 0.6387(7) 0.8530(12) 1.1553(15) 0.0346(15) Uani 1 1 d .
H6C H 0.6154 0.8282 1.0876 0.042 Uiso 1 1 calc R
N7 N 0.7481(7) 0.9363(12) 1.1615(15) 0.0346(15) Uani 1 1 d .
H7B H 0.7608 0.9693 1.2264 0.042 Uiso 1 1 calc R
N8 N 0.9439(8) 0.9230(13) 1.3509(16) 0.043(2) Uani 1 1 d .
B1 B 0.6525(6) 0.7373(9) 0.9005(11) 0.069(2) Uani 1 1 d D
F1 F 0.6470(7) 0.6683(9) 0.8299(11) 0.069(2) Uani 1 1 d D
F2 F 0.6202(6) 0.8090(8) 0.8452(11) 0.069(2) Uani 1 1 d D
F3 F 0.6332(6) 0.7097(11) 0.9811(10) 0.069(2) Uani 1 1 d D
F4 F 0.7112(5) 0.7639(9) 0.9451(12) 0.069(2) Uani 1 1 d D
B2 B 0.5355(11) 1.0696(18) 1.350(3) 0.34(2) Uani 1 1 d D
F5 F 0.5259(14) 1.1532(18) 1.378(3) 0.34(2) Uani 1 1 d D
F6 F 0.5054(13) 1.014(2) 1.392(3) 0.34(2) Uani 1 1 d D
F7 F 0.5142(15) 1.063(3) 1.238(3) 0.34(2) Uani 1 1 d D
F8 F 0.5951(10) 1.051(2) 1.392(3) 0.34(2) Uani 1 1 d D
B3 B 0.7593(7) 0.4965(8) 1.5654(10) 0.030(2) Uani 0.50 1 d PD
F9 F 0.7526(8) 0.4108(7) 1.5920(13) 0.030(2) Uani 0.50 1 d PD
F10 F 0.7412(8) 0.5524(9) 1.6285(12) 0.030(2) Uani 0.50 1 d PD
F11 F 0.7275(8) 0.5118(10) 1.4567(9) 0.030(2) Uani 0.50 1 d PD
F12 F 0.8193(6) 0.5101(11) 1.5869(13) 0.030(2) Uani 0.50 1 d PD
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
N5 Ag1 N2 155.0(6) . .
N5 Ag1 N3 130.2(6) . .
N2 Ag1 N3 74.5(6) . .
N5 Ag1 Ag2 76.8(5) . .
N2 Ag1 Ag2 85.9(4) . .
N3 Ag1 Ag2 124.4(5) . .
N1 Ag2 N6 141.5(7) . .
N1 Ag2 N7 140.9(6) . .
N6 Ag2 N7 76.6(6) . .
N1 Ag2 Ag1 71.0(5) . .
N6 Ag2 Ag1 87.9(5) . .
N7 Ag2 Ag1 133.2(5) . .
N8 Ag3 N8 110.1(10) 3_445 4_648
N8 Ag3 N4 113.7(7) 3_445 .
N8 Ag3 N4 118.3(7) 4_648 .
N8 Ag3 N4 118.3(6) 3_445 2_658
N8 Ag3 N4 113.7(7) 4_648 2_658
N4 Ag3 N4 80.4(9) . 2_658
N1 C1 C2 123(2) . .
N1 C1 H1A 118.7 . .
C2 C1 H1A 118.7 . .
C3 C2 C1 115(2) . .
C3 C2 H2A 122.3 . .
C1 C2 H2A 122.3 . .
C4 C3 C2 120(2) . .
C4 C3 H3A 120.1 . .
C2 C3 H3A 120.1 . .
C3 C4 C5 123(2) . .
C3 C4 H4A 118.7 . .
C5 C4 H4A 118.7 . .
N1 C5 C4 120(2) . .
N1 C5 C6 117.6(19) . .
C4 C5 C6 122.0(18) . .
N2 C6 C5 113.1(18) . .
N2 C6 H6A 109.0 . .
C5 C6 H6A 109.0 . .
N2 C6 H6B 109.0 . .
C5 C6 H6B 109.0 . .
H6A C6 H6B 107.8 . .
N2 C7 C12 114.9(17) . .
N2 C7 C8 110.5(16) . .
C12 C7 C8 103.3(17) . .
N2 C7 H7A 109.3 . .
C12 C7 H7A 109.3 . .
C8 C7 H7A 109.3 . .
C9 C8 C7 106.5(17) . .
C9 C8 H8A 110.4 . .
C7 C8 H8A 110.4 . .
C9 C8 H8B 110.4 . .
C7 C8 H8B 110.4 . .
H8A C8 H8B 108.6 . .
C10 C9 C8 112.2(19) . .
C10 C9 H9A 109.2 . .
C8 C9 H9A 109.2 . .
C10 C9 H9B 109.2 . .
C8 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
C9 C10 C11 117(2) . .
C9 C10 H10A 108.1 . .
C11 C10 H10A 108.1 . .
C9 C10 H10B 108.1 . .
C11 C10 H10B 108.1 . .
H10A C10 H10B 107.3 . .
C10 C11 C12 109.6(17) . .
C10 C11 H11A 109.7 . .
C12 C11 H11A 109.7 . .
C10 C11 H11B 109.7 . .
C12 C11 H11B 109.7 . .
H11A C11 H11B 108.2 . .
N3 C12 C11 109.6(16) . .
N3 C12 C7 105.2(16) . .
C11 C12 C7 107.7(17) . .
N3 C12 H12A 111.3 . .
C11 C12 H12A 111.3 . .
C7 C12 H12A 111.3 . .
C14 C13 N3 104.2(17) . .
C14 C13 H13A 110.9 . .
N3 C13 H13A 110.9 . .
C14 C13 H13B 110.9 . .
N3 C13 H13B 110.9 . .
H13A C13 H13B 108.9 . .
C18 C14 C15 121(2) . .
C18 C14 C13 116(2) . .
C15 C14 C13 123(2) . .
C14 C15 C16 109(2) . .
C14 C15 H15A 125.5 . .
C16 C15 H15A 125.5 . .
C17 C16 C15 125(2) . .
C17 C16 H16A 117.4 . .
C15 C16 H16A 117.4 . .
C16 C17 N4 124(2) . .
C16 C17 H17A 118.1 . .
N4 C17 H17A 118.1 . .
N4 C18 C14 122(2) . .
N4 C18 H18A 118.8 . .
C14 C18 H18A 118.8 . .
N5 C19 C20 123.8(19) . .
N5 C19 H19A 118.1 . .
C20 C19 H19A 118.1 . .
C19 C20 C21 118.5(19) . .
C19 C20 H20A 120.8 . .
C21 C20 H20A 120.8 . .
C20 C21 C22 117.4(18) . .
C20 C21 H21A 121.3 . .
C22 C21 H21A 121.3 . .
C23 C22 C21 117.0(17) . .
C23 C22 H22A 121.5 . .
C21 C22 H22A 121.5 . .
N5 C23 C22 124.3(18) . .
N5 C23 C24 117.7(17) . .
C22 C23 C24 117.7(17) . .
N6 C24 C23 106.2(18) . .
N6 C24 H24A 110.5 . .
C23 C24 H24A 110.5 . .
N6 C24 H24B 110.5 . .
C23 C24 H24B 110.5 . .
H24A C24 H24B 108.7 . .
C26 C25 N6 112.2(16) . .
C26 C25 C30 103.0(17) . .
N6 C25 C30 107.3(15) . .
C26 C25 H25A 111.3 . .
N6 C25 H25A 111.3 . .
C30 C25 H25A 111.3 . .
C27 C26 C25 111.5(18) . .
C27 C26 H26A 109.3 . .
C25 C26 H26A 109.3 . .
C27 C26 H26B 109.3 . .
C25 C26 H26B 109.3 . .
H26A C26 H26B 108.0 . .
C26 C27 C28 110.5(18) . .
C26 C27 H27A 109.5 . .
C28 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
C28 C27 H27B 109.5 . .
H27A C27 H27B 108.1 . .
C29 C28 C27 112.4(19) . .
C29 C28 H28A 109.1 . .
C27 C28 H28A 109.1 . .
C29 C28 H28B 109.1 . .
C27 C28 H28B 109.1 . .
H28A C28 H28B 107.8 . .
C28 C29 C30 106.5(18) . .
C28 C29 H29A 110.4 . .
C30 C29 H29A 110.4 . .
C28 C29 H29B 110.4 . .
C30 C29 H29B 110.4 . .
H29A C29 H29B 108.6 . .
N7 C30 C29 114.6(17) . .
N7 C30 C25 107.0(16) . .
C29 C30 C25 108.0(16) . .
N7 C30 H30A 109.0 . .
C29 C30 H30A 109.0 . .
C25 C30 H30A 109.0 . .
C32 C31 N7 110.5(18) . .
C32 C31 H31A 109.6 . .
N7 C31 H31A 109.6 . .
C32 C31 H31B 109.6 . .
N7 C31 H31B 109.6 . .
H31A C31 H31B 108.1 . .
C33 C32 C36 116(2) . .
C33 C32 C31 126(2) . .
C36 C32 C31 117(2) . .
C32 C33 C34 126(2) . .
C32 C33 H33A 117.2 . .
C34 C33 H33A 117.2 . .
C33 C34 C35 114(2) . .
C33 C34 H34A 122.8 . .
C35 C34 H34A 122.8 . .
N8 C35 C34 124(2) . .
N8 C35 H35A 118.1 . .
C34 C35 H35A 118.1 . .
C32 C36 N8 121(2) . .
C32 C36 H36A 119.3 . .
N8 C36 H36A 119.3 . .
C1 N1 C5 119(2) . .
C1 N1 Ag2 117.0(14) . .
C5 N1 Ag2 124.1(15) . .
C7 N2 C6 119.8(18) . .
C7 N2 Ag1 110.7(12) . .
C6 N2 Ag1 112.8(12) . .
C7 N2 H2B 103.9 . .
C6 N2 H2B 103.9 . .
Ag1 N2 H2B 103.9 . .
C12 N3 C13 106.6(15) . .
C12 N3 Ag1 110.0(12) . .
C13 N3 Ag1 115.7(12) . .
C12 N3 H3B 108.1 . .
C13 N3 H3B 108.1 . .
Ag1 N3 H3B 108.1 . .
C18 N4 C17 118(2) . .
C18 N4 Ag3 116.5(15) . .
C17 N4 Ag3 116.7(15) . .
C23 N5 C19 119.0(17) . .
C23 N5 Ag1 123.9(13) . .
C19 N5 Ag1 115.6(13) . .
C24 N6 C25 104.2(15) . .
C24 N6 Ag2 116.4(13) . .
C25 N6 Ag2 113.9(10) . .
C24 N6 H6C 107.3 . .
C25 N6 H6C 107.3 . .
Ag2 N6 H6C 107.3 . .
C30 N7 C31 114.4(16) . .
C30 N7 Ag2 109.9(12) . .
C31 N7 Ag2 111.2(12) . .
C30 N7 H7B 107.0 . .
C31 N7 H7B 107.0 . .
Ag2 N7 H7B 107.0 . .
C35 N8 C36 116.7(19) . .
C35 N8 Ag3 122.3(15) . 3
C36 N8 Ag3 120.9(14) . 3
F3 B1 F1 108.1(11) . .
F3 B1 F4 110.5(11) . .
F1 B1 F4 109.8(11) . .
F3 B1 F2 111.2(11) . .
F1 B1 F2 110.7(11) . .
F4 B1 F2 106.6(11) . .
F6 B2 F7 110.4(15) . .
F6 B2 F5 107.4(14) . .
F7 B2 F5 108.9(14) . .
F6 B2 F8 110.0(14) . .
F7 B2 F8 109.9(14) . .
F5 B2 F8 110.2(13) . .
F10 B3 F11 110.2(9) . .
F10 B3 F9 109.9(9) . .
F11 B3 F9 110.7(9) . .
F10 B3 F12 109.1(9) . .
F11 B3 F12 109.2(9) . .
F9 B3 F12 107.6(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N5 2.223(16) .
Ag1 N2 2.372(15) .
Ag1 N3 2.386(18) .
Ag1 Ag2 3.126(3) .
Ag2 N1 2.213(18) .
Ag2 N6 2.285(16) .
Ag2 N7 2.365(18) .
Ag3 N8 2.334(18) 3_445
Ag3 N8 2.334(18) 4_648
Ag3 N4 2.39(2) .
Ag3 N4 2.39(2) 2_658
C1 N1 1.28(3) .
C1 C2 1.46(3) .
C1 H1A 0.9500 .
C2 C3 1.42(3) .
C2 H2A 0.9500 .
C3 C4 1.23(3) .
C3 H3A 0.9500 .
C4 C5 1.42(3) .
C4 H4A 0.9500 .
C5 N1 1.32(3) .
C5 C6 1.54(3) .
C6 N2 1.45(3) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 N2 1.39(3) .
C7 C12 1.57(3) .
C7 C8 1.60(3) .
C7 H7A 1.0000 .
C8 C9 1.53(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.35(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.54(3) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.55(3) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 N3 1.53(3) .
C12 H12A 1.0000 .
C13 C14 1.55(3) .
C13 N3 1.59(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C18 1.39(3) .
C14 C15 1.45(3) .
C15 C16 1.46(3) .
C15 H15A 0.9500 .
C16 C17 1.26(3) .
C16 H16A 0.9500 .
C17 N4 1.33(3) .
C17 H17A 0.9500 .
C18 N4 1.31(3) .
C18 H18A 0.9500 .
C19 N5 1.34(3) .
C19 C20 1.37(3) .
C19 H19A 0.9500 .
C20 C21 1.40(3) .
C20 H20A 0.9500 .
C21 C22 1.47(3) .
C21 H21A 0.9500 .
C22 C23 1.36(3) .
C22 H22A 0.9500 .
C23 N5 1.32(2) .
C23 C24 1.57(3) .
C24 N6 1.48(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.51(3) .
C25 N6 1.55(3) .
C25 C30 1.64(3) .
C25 H25A 1.0000 .
C26 C27 1.48(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.49(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.45(3) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.55(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 N7 1.52(3) .
C30 H30A 1.0000 .
C31 C32 1.43(3) .
C31 N7 1.53(2) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.30(3) .
C32 C36 1.35(3) .
C33 C34 1.36(3) .
C33 H33A 0.9500 .
C34 C35 1.39(3) .
C34 H34A 0.9500 .
C35 N8 1.29(3) .
C35 H35A 0.9500 .
C36 N8 1.41(3) .
C36 H36A 0.9500 .
N2 H2B 0.9300 .
N3 H3B 0.9300 .
N6 H6C 0.9300 .
N7 H7B 0.9300 .
N8 Ag3 2.334(18) 3
B1 F3 1.361(9) .
B1 F1 1.363(9) .
B1 F4 1.369(9) .
B1 F2 1.369(9) .
B2 F6 1.354(10) .
B2 F7 1.355(10) .
B2 F5 1.357(10) .
B2 F8 1.359(10) .
B3 F10 1.357(9) .
B3 F11 1.357(9) .
B3 F9 1.363(9) .
B3 F12 1.375(9) .
