#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:12:01 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179561 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/30/4503064.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_4503064
loop_
_publ_author_name
'Jin, Chuan-Ming'
'Wu, Ling-Yan'
'Lu, Huang'
'Xu, Yan'
_publ_section_title
;
 Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl)
 Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic
 Framework
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              215
_journal_paper_doi               10.1021/cg070143y
_journal_volume                  8
_journal_year                    2008
_chemical_compound_source        'Chemical synthesis'
_chemical_formula_moiety         'C36 H48 Ag4 N16, 4(B F4), H2 O'
_chemical_formula_sum            'C36 H50 Ag4 B4 F16 N16 O'
_chemical_formula_weight         1501.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 118.3670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.5715(16)
_cell_length_b                   15.1534(11)
_cell_length_c                   18.3085(14)
_cell_measurement_temperature    292(2)
_cell_volume                     5266.1(7)
_computing_cell_refinement       'SAINT+ (Bruker, 2001)'
_computing_data_collection       'SMART, (Bruker, 2001)'
_computing_data_reduction        SAINT+
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and 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  0.1088
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21155
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.571
_exptl_absorpt_correction_T_max  0.730
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2952
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.810
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         5377
_refine_ls_number_restraints     296
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2060
_refine_ls_wR_factor_ref         0.2175
_reflns_number_gt                3937
_reflns_number_total             5377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg070143y-file002.cif
_cod_data_source_block           060613dm
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4503064
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'
'-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 1.20359(2) 0.5000 0.93058(3) 0.07752(15) Uani 1 2 d S
Ag2 Ag 1.0000 0.13267(4) 0.5000 0.09235(18) Uani 1 2 d S
Ag3 Ag 1.118004(19) 0.0000 0.20674(3) 0.07575(12) Uani 1 2 d S
Ag4 Ag 1.0000 0.37193(3) 0.5000 0.07561(13) Uani 1 2 d S
N1 N 1.18934(16) 0.3627(2) 0.92743(19) 0.0691(10) Uani 1 1 d .
N2 N 1.17201(13) 0.2264(2) 0.88404(16) 0.0607(8) Uani 1 1 d .
N3 N 1.10902(14) 0.13780(19) 0.76208(16) 0.0621(9) Uani 1 1 d .
N4 N 1.03837(17) 0.1345(2) 0.62829(19) 0.0781(11) Uani 1 1 d .
N5 N 1.10955(14) 0.1408(2) 0.20555(18) 0.0668(8) Uani 1 1 d .
N6 N 1.11074(13) 0.2773(2) 0.24117(16) 0.0637(8) Uani 1 1 d .
N7 N 1.07063(16) 0.3649(2) 0.31888(17) 0.0706(9) Uani 1 1 d .
N8 N 1.01998(17) 0.3700(2) 0.3975(2) 0.0763(10) Uani 1 1 d .
C1 C 1.20365(16) 0.3052(3) 0.8851(2) 0.0606(10) Uani 1 1 d .
C2 C 1.14597(18) 0.3220(3) 0.9537(2) 0.0694(11) Uani 1 1 d .
H2A H 1.1275 0.3486 0.9849 0.083 Uiso 1 1 calc R
C3 C 1.13484(18) 0.2387(3) 0.9274(2) 0.0722(12) Uani 1 1 d .
H3A H 1.1075 0.1971 0.9364 0.087 Uiso 1 1 calc R
C4 C 1.25228(19) 0.3197(3) 0.8495(2) 0.0811(12) Uani 1 1 d .
H4A H 1.2683 0.3798 0.8586 0.122 Uiso 1 1 calc R
H4B H 1.2278 0.3079 0.7909 0.122 Uiso 1 1 calc R
H4C H 1.2920 0.2808 0.8759 0.122 Uiso 1 1 calc R
C5 C 1.1720(2) 0.1462(2) 0.8418(2) 0.0668(11) Uani 1 1 d .
H5A H 1.1753 0.0960 0.8763 0.080 Uiso 1 1 calc R
H5B H 1.2132 0.1455 0.8333 0.080 Uiso 1 1 calc R
C6 C 1.10350(19) 0.1470(3) 0.6856(2) 0.0685(11) Uani 1 1 d .
C7 C 1.0433(2) 0.1194(3) 0.7515(3) 0.0935(15) Uani 1 1 d .
H7A H 1.0316 0.1098 0.7936 0.112 Uiso 1 1 calc R
C8 C 0.9988(3) 0.1177(4) 0.6702(3) 0.105(2) Uani 1 1 d .
H8A H 0.9505 0.1072 0.6455 0.127 Uiso 1 1 calc R
C9 C 1.1630(2) 0.1689(4) 0.6694(3) 0.1083(17) Uani 1 1 d .
H9A H 1.1463 0.1713 0.6106 0.162 Uiso 1 1 calc R
H9B H 1.1988 0.1243 0.6935 0.162 Uiso 1 1 calc R
H9C H 1.1824 0.2251 0.6936 0.162 Uiso 1 1 calc R
C10 C 1.13320(16) 0.1946(3) 0.2658(2) 0.0710(10) Uani 1 1 d .
C11 C 1.06767(19) 0.1894(3) 0.1356(2) 0.0704(11) Uani 1 1 d .
H11A H 1.0429 0.1665 0.0822 0.084 Uiso 1 1 calc R
C12 C 1.0679(2) 0.2735(3) 0.1555(2) 0.0797(13) Uani 1 1 d .
H12A H 1.0445 0.3201 0.1198 0.096 Uiso 1 1 calc R
C13 C 1.1859(3) 0.1724(4) 0.3553(3) 0.1041(18) Uani 1 1 d .
H13A H 1.1950 0.1100 0.3602 0.156 Uiso 1 1 calc R
H13B H 1.1669 0.1892 0.3912 0.156 Uiso 1 1 calc R
H13C H 1.2291 0.2038 0.3709 0.156 Uiso 1 1 calc R
C14 C 1.1216(2) 0.3564(3) 0.2904(2) 0.0775(10) Uani 1 1 d .
H14A H 1.1683 0.3548 0.3379 0.093 Uiso 1 1 calc R
H14B H 1.1189 0.4076 0.2573 0.093 Uiso 1 1 calc R
C15 C 1.07778(19) 0.3602(3) 0.3967(2) 0.0743(11) Uani 1 1 d .
C16 C 1.0014(2) 0.3724(3) 0.2693(3) 0.0982(15) Uani 1 1 d U
H16A H 0.9800 0.3758 0.2117 0.118 Uiso 1 1 calc R
C17 C 0.9668(3) 0.3742(4) 0.3141(3) 0.115(2) Uani 1 1 d .
H17A H 0.9183 0.3776 0.2943 0.138 Uiso 1 1 calc R
C18 C 1.1477(3) 0.3466(4) 0.4745(3) 0.1124(16) Uani 1 1 d U
H18A H 1.1404 0.3472 0.5223 0.169 Uiso 1 1 calc R
H18B H 1.1796 0.3930 0.4791 0.169 Uiso 1 1 calc R
H18C H 1.1674 0.2907 0.4713 0.169 Uiso 1 1 calc R
B1 B 1.0967(2) 0.0000 -0.0183(3) 0.0551(13) Uani 1 2 d SDU
B2 B 0.8204(3) 1.0000 0.4798(4) 0.129(3) Uani 1 2 d SDU
B3 B 0.3255(3) 0.0000 0.3285(4) 0.105(3) Uani 1 2 d SDU
B4 B 0.1624(4) 0.5000 0.1324(4) 0.098(2) Uani 1 2 d SDU
F1 F 1.14733(16) 0.0000 -0.0432(2) 0.1086(13) Uani 1 2 d SDU
F2 F 1.0775(2) 0.0812(3) -0.0061(4) 0.0996(16) Uani 0.50 1 d PDU
F3 F 1.0448(3) -0.0483(4) -0.0724(4) 0.141(3) Uani 0.50 1 d PDU
F4 F 1.1302(3) -0.0371(4) 0.0581(4) 0.139(2) Uani 0.50 1 d PDU
F5 F 0.8317(3) 1.0000 0.5575(3) 0.188(3) Uani 1 2 d SDU
F6 F 0.8782(2) 1.0000 0.4695(4) 0.167(2) Uani 1 2 d SDU
F7 F 0.7650(3) 1.0256(6) 0.4120(4) 0.164(3) Uani 0.50 1 d PDU
F8 F 0.8089(4) 0.9085(4) 0.4783(5) 0.149(3) Uani 0.50 1 d PDU
F9 F 0.3260(3) 0.0000 0.2557(3) 0.1276(18) Uani 1 2 d SDU
F10 F 0.2660(2) 0.0000 0.3266(4) 0.183(3) Uani 1 2 d SDU
F11 F 0.3354(3) 0.0957(4) 0.3473(3) 0.118(2) Uani 0.50 1 d PDU
F12 F 0.3838(3) -0.0247(4) 0.3935(3) 0.127(2) Uani 0.50 1 d PDU
F13 F 0.1006(3) 0.5000 0.1396(4) 0.195(2) Uani 1 2 d SDU
F14 F 0.1730(3) 0.4119(4) 0.1506(4) 0.1080(17) Uani 0.50 1 d PDU
F15 F 0.1292(4) 0.5000 0.0505(5) 0.217(2) Uani 1 2 d SDU
F16 F 0.1953(4) 0.5595(5) 0.1930(5) 0.144(2) Uani 0.50 1 d PDU
O1W O -0.0070(5) 0.5000 0.0967(10) 0.318(8) Uani 1 2 d S
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'
O O 0.0106 0.0060 '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'
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
N1 Ag1 N1 164.42(19) . 6_565
N4 Ag2 N4 178.4(2) . 2_756
N5 Ag3 N5 170.72(16) 6 .
N8 Ag4 N8 178.42(19) . 2_756
C1 N1 C2 107.4(3) . .
C1 N1 Ag1 127.5(3) . .
C2 N1 Ag1 123.1(3) . .
C1 N2 C3 107.1(3) . .
C1 N2 C5 128.0(3) . .
C3 N2 C5 124.8(3) . .
C6 N3 C7 107.4(3) . .
C6 N3 C5 127.6(3) . .
C7 N3 C5 125.0(3) . .
C6 N4 C8 106.7(3) . .
C6 N4 Ag2 127.2(3) . .
C8 N4 Ag2 126.0(3) . .
C10 N5 C11 106.2(3) . .
C10 N5 Ag3 129.4(3) . .
C11 N5 Ag3 123.9(2) . .
C10 N6 C12 106.3(3) . .
C10 N6 C14 129.6(3) . .
C12 N6 C14 124.0(3) . .
C16 N7 C15 104.5(4) . .
C16 N7 C14 124.5(4) . .
C15 N7 C14 130.8(3) . .
C15 N8 C17 107.0(4) . .
C15 N8 Ag4 129.1(3) . .
C17 N8 Ag4 123.8(3) . .
N1 C1 N2 109.7(4) . .
N1 C1 C4 125.3(4) . .
N2 C1 C4 124.8(4) . .
C3 C2 N1 109.4(4) . .
C3 C2 H2A 125.3 . .
N1 C2 H2A 125.3 . .
C2 C3 N2 106.4(4) . .
C2 C3 H3A 126.8 . .
N2 C3 H3A 126.8 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 N3 112.0(3) . .
N2 C5 H5A 109.2 . .
N3 C5 H5A 109.2 . .
N2 C5 H5B 109.2 . .
N3 C5 H5B 109.2 . .
H5A C5 H5B 107.9 . .
N4 C6 N3 110.3(4) . .
N4 C6 C9 125.0(4) . .
N3 C6 C9 124.7(3) . .
C8 C7 N3 108.1(5) . .
C8 C7 H7A 125.9 . .
N3 C7 H7A 125.9 . .
C7 C8 N4 107.5(4) . .
C7 C8 H8A 126.2 . .
N4 C8 H8A 126.2 . .
C6 C9 H9A 109.5 . .
C6 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C6 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N5 C10 N6 112.1(3) . .
N5 C10 C13 125.4(4) . .
N6 C10 C13 122.3(4) . .
C12 C11 N5 110.1(3) . .
C12 C11 H11A 125.0 . .
N5 C11 H11A 125.0 . .
C11 C12 N6 105.2(3) . .
C11 C12 H12A 127.4 . .
N6 C12 H12A 127.4 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N7 C14 N6 112.2(3) . .
N7 C14 H14A 109.2 . .
N6 C14 H14A 109.2 . .
N7 C14 H14B 109.2 . .
N6 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
N8 C15 N7 112.7(3) . .
N8 C15 C18 123.4(4) . .
N7 C15 C18 123.9(4) . .
N7 C16 C17 110.7(4) . .
N7 C16 H16A 124.7 . .
C17 C16 H16A 124.7 . .
C16 C17 N8 104.9(4) . .
C16 C17 H17A 127.6 . .
N8 C17 H17A 127.6 . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
F3 B1 F3 67.9(6) . 6
F3 B1 F2 52.9(4) . 6
F3 B1 F2 114.6(5) 6 6
F3 B1 F2 114.6(5) . .
F3 B1 F2 52.9(4) 6 .
F2 B1 F2 131.6(7) 6 .
F3 B1 F4 113.2(5) . .
F3 B1 F4 149.2(6) 6 .
F2 B1 F4 60.4(4) 6 .
F2 B1 F4 105.3(5) . .
F3 B1 F4 149.2(6) . 6
F3 B1 F4 113.2(5) 6 6
F2 B1 F4 105.3(5) 6 6
F2 B1 F4 60.4(4) . 6
F4 B1 F4 49.1(5) . 6
F3 B1 F1 106.1(5) . .
F3 B1 F1 106.1(5) 6 .
F2 B1 F1 114.2(3) 6 .
F2 B1 F1 114.2(3) . .
F4 B1 F1 103.0(4) . .
F4 B1 F1 103.0(4) 6 .
F7 B2 F7 34.6(8) 6_575 .
F7 B2 F5 129.6(7) 6_575 .
F7 B2 F5 129.6(7) . .
F7 B2 F6 110.9(6) 6_575 .
F7 B2 F6 110.9(6) . .
F5 B2 F6 116.1(6) . .
F7 B2 F8 67.4(5) 6_575 .
F7 B2 F8 101.6(6) . .
F5 B2 F8 87.8(4) . .
F6 B2 F8 99.4(5) . .
F7 B2 F8 101.6(6) 6_575 6_575
F7 B2 F8 67.4(5) . 6_575
F5 B2 F8 87.8(4) . 6_575
F6 B2 F8 99.4(5) . 6_575
F8 B2 F8 160.7(9) . 6_575
F10 B3 F12 123.2(7) . 6
F10 B3 F12 123.2(7) . .
F12 B3 F12 33.1(6) 6 .
F10 B3 F9 117.4(6) . .
F12 B3 F9 116.5(6) 6 .
F12 B3 F9 116.5(6) . .
F10 B3 F11 92.2(4) . 6
F12 B3 F11 95.6(5) 6 6
F12 B3 F11 62.6(4) . 6
F9 B3 F11 99.4(4) . 6
F10 B3 F11 92.2(4) . .
F12 B3 F11 62.6(4) 6 .
F12 B3 F11 95.6(5) . .
F9 B3 F11 99.4(4) . .
F11 B3 F11 156.1(7) 6 .
F15 B4 F16 136.8(4) . .
F15 B4 F16 136.8(4) . 6_565
F16 B4 F16 84.5(7) . 6_565
F15 B4 F14 102.4(4) . .
F16 B4 F14 119.5(6) . .
F16 B4 F14 35.0(4) 6_565 .
F15 B4 F14 102.4(4) . 6_565
F16 B4 F14 35.0(4) . 6_565
F16 B4 F14 119.5(6) 6_565 6_565
F14 B4 F14 154.4(7) . 6_565
F15 B4 F13 94.6(6) . .
F16 B4 F13 94.2(6) . .
F16 B4 F13 94.2(6) 6_565 .
F14 B4 F13 91.9(5) . .
F14 B4 F13 91.9(5) 6_565 .
F3 F2 B1 61.8(4) 6 .
F3 F2 F4 121.6(5) 6 6
B1 F2 F4 59.9(4) . 6
F2 F3 B1 65.2(4) 6 .
F2 F3 F3 114.9(4) 6 6
B1 F3 F3 56.0(3) . 6
F4 F4 B1 65.5(3) 6 .
F4 F4 F2 119.5(3) 6 6
B1 F4 F2 59.7(3) . 6
F7 F7 B2 72.7(4) 6_575 .
F7 F7 F8 131.5(4) 6_575 6_575
B2 F7 F8 59.4(4) . 6_575
B2 F8 F7 53.2(4) . 6_575
F12 F11 B3 52.9(4) 6 .
F12 F12 B3 73.4(3) 6 .
F12 F12 F11 137.6(3) 6 6
B3 F12 F11 64.5(3) . 6
F16 F14 B4 70.7(7) 6_565 .
F14 F16 B4 74.3(7) 6_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.100(3) .
Ag1 N1 2.100(3) 6_565
Ag2 N4 2.087(3) .
Ag2 N4 2.087(3) 2_756
Ag3 N5 2.140(3) 6
Ag3 N5 2.140(3) .
Ag4 N8 2.116(4) .
Ag4 N8 2.116(4) 2_756
N1 C1 1.297(5) .
N1 C2 1.384(5) .
N2 C1 1.371(5) .
N2 C3 1.383(6) .
N2 C5 1.441(5) .
N3 C6 1.356(5) .
N3 C7 1.365(6) .
N3 C5 1.452(4) .
N4 C6 1.307(4) .
N4 C8 1.416(7) .
N5 C10 1.268(5) .
N5 C11 1.379(5) .
N6 C10 1.341(5) .
N6 C12 1.393(4) .
N6 C14 1.451(5) .
N7 C16 1.334(5) .
N7 C15 1.360(5) .
N7 C14 1.428(6) .
N8 C15 1.263(5) .
N8 C17 1.410(6) .
C1 C4 1.493(6) .
C2 C3 1.332(6) .
C2 H2A 0.9300 .
C3 H3A 0.9300 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C9 1.485(7) .
C7 C8 1.335(6) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C13 1.524(5) .
C11 C12 1.325(6) .
C11 H11A 0.9300 .
C12 H12A 0.9300 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C18 1.519(6) .
C16 C17 1.347(9) .
C16 H16A 0.9300 .
C17 H17A 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
B1 F3 1.311(6) .
B1 F3 1.311(6) 6
B1 F2 1.350(5) 6
B1 F2 1.350(5) .
B1 F4 1.354(7) .
B1 F4 1.354(7) 6
B1 F1 1.370(6) .
B2 F7 1.307(7) 6_575
B2 F7 1.307(7) .
B2 F5 1.325(8) .
B2 F6 1.346(8) .
B2 F8 1.406(7) .
B2 F8 1.406(7) 6_575
B3 F10 1.268(8) .
B3 F12 1.310(7) 6
B3 F12 1.310(7) .
B3 F9 1.337(9) .
B3 F11 1.483(6) 6
B3 F11 1.483(6) .
B4 F15 1.319(9) .
B4 F16 1.342(8) .
B4 F16 1.342(8) 6_565
B4 F14 1.368(6) .
B4 F14 1.368(6) 6_565
B4 F13 1.401(10) .
F2 F3 1.187(8) 6
F2 F4 1.360(7) 6
F3 F2 1.187(8) 6
F3 F3 1.464(13) 6
F4 F4 1.124(12) 6
F4 F2 1.360(7) 6
F7 F7 0.776(17) 6_575
F7 F8 1.507(10) 6_575
F8 F7 1.507(10) 6_575
F11 F12 1.458(8) 6
F12 F12 0.747(13) 6
F12 F11 1.458(8) 6
F14 F16 0.816(9) 6_565
F16 F14 0.816(9) 6_565
