#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/49/1514972.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_1514972
loop_
_publ_author_name
'Wei, Siping'
'Li, Xiyu'
'Yang, Zhuang'
'Lan, Jingbo'
'Gao, Ge'
'Xue, Ying'
'You, Jingsong'
_publ_section_title
;
 Ligand-switching and counteranion-induced hierarchical self-assembly of
 silver-NHC complexes
;
_journal_issue                   2
_journal_name_full               'Chemical Science'
_journal_page_first              359
_journal_paper_doi               10.1039/c1sc00615k
_journal_volume                  3
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_moiety         '3(C30 H28 Ag N6 O2), 9(B0.3333 F1.3333)'
_chemical_formula_sum            'C90 H84 Ag3 B3 F12 N18 O6'
_chemical_formula_weight         2097.79
_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-03-06
_audit_creation_method
;
Olex2 1.1
(compiled 2011.01.21 svn.r1625, GUI svn.r3464)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   17.3399(3)
_cell_length_b                   17.3399(3)
_cell_length_c                   18.6738(3)
_cell_measurement_reflns_used    8711
_cell_measurement_temperature    567.3
_cell_measurement_theta_max      28.8906
_cell_measurement_theta_min      3.2
_cell_volume                     4862.47(14)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'A short history of SHELX (Sheldrick, 2007)'
_diffrn_ambient_temperature      567.3
_diffrn_detector_area_resol_mean 16.0874
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
1 omega 34.00 101.20 0.8000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7314 179.0000 -60.0000 84

2 omega -37.00 27.00 0.8000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7314 -38.0000 -30.0000 80

3 omega -21.00 8.60 0.8000 3.0000
omega____ theta____ kappa____ phi______ frames
- -19.8407 -104.0000 35.0000 37
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0033221
_diffrn_orient_matrix_UB_12      0.0416843
_diffrn_orient_matrix_UB_13      -0.0073543
_diffrn_orient_matrix_UB_21      -0.0452539
_diffrn_orient_matrix_UB_22      -0.0221232
_diffrn_orient_matrix_UB_23      -0.0108662
_diffrn_orient_matrix_UB_31      -0.0131344
_diffrn_orient_matrix_UB_32      0.001846
_diffrn_orient_matrix_UB_33      0.0356461
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13681
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.21
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.96443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2124
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.100
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6407
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0363
_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)+(0.0787P)²+0.0000P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1156
_reflns_number_gt                5190
_reflns_number_total             6407
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1sc00615k.txt
_cod_data_source_block           20100728_S2_HP2_2
_cod_original_cell_volume        4862.46(14)
_cod_database_code               1514972
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 'x-y, x, z+1/2'
3 '-y, x-y, z'
4 '-x, -y, z+1/2'
5 '-x+y, -x, z'
6 'y, -x+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 -0.457537(19) -0.293460(18) -0.50582(3) 0.03399(11) Uani 1 1 d .
F1 F -0.6667 -0.3333 -0.7402(8) 0.181(5) Uani 1 3 d S
F2 F -0.6691(3) -0.4090(2) -0.6472(3) 0.0925(14) Uani 1 1 d .
F3 F -0.6667 -0.3333 -0.4737(5) 0.153(4) Uani 1 3 d S
F4 F -0.6327(3) -0.3850(3) -0.3835(3) 0.0976(16) Uani 1 1 d .
F5 F -0.6667 -0.3333 -0.1615(14) 0.249(8) Uani 1 3 d S
F6 F -0.6380(8) -0.3894(7) -0.0925(7) 0.242(5) Uani 1 1 d .
O1 O -0.4129(3) -0.2877(2) -0.8075(2) 0.0548(11) Uani 1 1 d .
O2 O -0.8341(3) -0.5610(4) -0.1996(3) 0.0629(14) Uani 1 1 d .
N1 N -0.4631(2) -0.3297(3) -0.6681(2) 0.0307(9) Uani 1 1 d .
N2 N -0.5281(2) -0.4515(2) -0.61373(17) 0.0315(8) Uani 1 1 d .
N3 N -0.5340(3) -0.4739(3) -0.68614(19) 0.0379(9) Uani 1 1 d .
N4 N -0.8085(3) -0.5631(3) -0.34439(18) 0.0338(9) Uani 1 1 d .
N5 N -0.7152(2) -0.5788(2) -0.40410(17) 0.0304(8) Uani 1 1 d .
N6 N -0.6915(3) -0.5808(3) -0.33336(18) 0.0414(9) Uani 1 1 d .
C1 C -0.2517(5) -0.0483(5) -0.6308(4) 0.084(2) Uani 1 1 d .
H1 H -0.2949 -0.0702 -0.5951 0.101 Uiso 1 1 calc R
C2 C -0.1949(6) 0.0411(6) -0.6347(6) 0.120(4) Uani 1 1 d .
H2 H -0.2003 0.0790 -0.6025 0.144 Uiso 1 1 calc R
C3 C -0.1318(6) 0.0743(5) -0.6843(8) 0.131(5) Uani 1 1 d .
H3 H -0.0917 0.1352 -0.6855 0.157 Uiso 1 1 calc R
C4 C -0.1254(5) 0.0208(6) -0.7326(5) 0.097(3) Uani 1 1 d .
H4 H -0.0802 0.0442 -0.7667 0.116 Uiso 1 1 calc R
C5 C -0.1884(4) -0.0725(4) -0.7318(4) 0.0691(18) Uani 1 1 d .
H5 H -0.1887 -0.1092 -0.7682 0.083 Uiso 1 1 calc R
C6 C -0.2480(3) -0.1070(4) -0.6770(3) 0.0523(13) Uani 1 1 d .
C7 C -0.3097(3) -0.2063(3) -0.6717(3) 0.0509(13) Uani 1 1 d .
H7A H -0.3058 -0.2258 -0.6239 0.061 Uiso 1 1 calc R
H7B H -0.2901 -0.2359 -0.7052 0.061 Uiso 1 1 calc R
C8 C -0.4067(3) -0.2346(3) -0.6877(2) 0.0343(10) Uani 1 1 d .
H8 H -0.4240 -0.1989 -0.6583 0.041 Uiso 1 1 calc R
C9 C -0.4250(3) -0.2258(3) -0.7652(2) 0.0451(12) Uani 1 1 d .
H9B H -0.4856 -0.2374 -0.7704 0.054 Uiso 1 1 calc R
H9A H -0.3848 -0.1656 -0.7815 0.054 Uiso 1 1 calc R
C10 C -0.4806(4) -0.3756(4) -0.7953(2) 0.0495(13) Uani 1 1 d .
H10A H -0.4654 -0.4161 -0.8188 0.059 Uiso 1 1 calc R
H10B H -0.5357 -0.3844 -0.8161 0.059 Uiso 1 1 calc R
C11 C -0.4941(3) -0.3965(3) -0.7172(2) 0.0360(10) Uani 1 1 d .
C12 C -0.4851(3) -0.3645(3) -0.6018(2) 0.0311(9) Uani 1 1 d .
C13 C -0.5673(3) -0.5211(3) -0.5618(2) 0.0288(8) Uani 1 1 d .
C14 C -0.5451(3) -0.5864(3) -0.5606(3) 0.0416(11) Uani 1 1 d .
H14 H -0.5065 -0.5870 -0.5948 0.050 Uiso 1 1 calc R
C15 C -0.5807(3) -0.6522(3) -0.5079(4) 0.0415(9) Uani 1 1 d .
H15 H -0.5673 -0.6979 -0.5074 0.050 Uiso 1 1 calc R
C16 C -0.6372(3) -0.6484(3) -0.4554(2) 0.0364(10) Uani 1 1 d .
H16 H -0.6596 -0.6902 -0.4187 0.044 Uiso 1 1 calc R
C17 C -0.6586(3) -0.5825(3) -0.4591(2) 0.0316(9) Uani 1 1 d .
C18 C -0.6243(2) -0.5165(2) -0.5106(3) 0.0295(8) Uani 1 1 d .
H18 H -0.6383 -0.4713 -0.5114 0.035 Uiso 1 1 calc R
C19 C -0.7840(3) -0.5668(3) -0.4123(2) 0.0319(9) Uani 1 1 d .
C20 C -0.7508(3) -0.5692(3) -0.2984(2) 0.0403(11) Uani 1 1 d .
C21 C -0.7537(4) -0.5570(5) -0.2196(2) 0.0604(16) Uani 1 1 d .
H21B H -0.7483 -0.6031 -0.1946 0.073 Uiso 1 1 calc R
H21A H -0.7038 -0.4998 -0.2057 0.073 Uiso 1 1 calc R
C22 C -0.8495(4) -0.5052(4) -0.2450(3) 0.0544(14) Uani 1 1 d .
H22A H -0.7952 -0.4483 -0.2499 0.065 Uiso 1 1 calc R
H22B H -0.8945 -0.4945 -0.2239 0.065 Uiso 1 1 calc R
C23 C -0.8810(4) -0.5482(4) -0.3198(3) 0.0397(12) Uani 1 1 d .
H23 H -0.8855 -0.5060 -0.3519 0.048 Uiso 1 1 calc R
C24 C -0.9697(3) -0.6343(4) -0.3172(3) 0.0516(13) Uani 1 1 d .
H24A H -0.9616 -0.6785 -0.2919 0.062 Uiso 1 1 calc R
H24B H -1.0112 -0.6240 -0.2897 0.062 Uiso 1 1 calc R
C25 C -1.0102(3) -0.6712(3) -0.3877(3) 0.0455(12) Uani 1 1 d .
C26 C -1.0066(5) -0.7406(4) -0.4176(4) 0.0757(19) Uani 1 1 d .
H26 H -0.9787 -0.7669 -0.3936 0.091 Uiso 1 1 calc R
C27 C -1.0466(6) -0.7734(5) -0.4875(4) 0.098(3) Uani 1 1 d .
H27 H -1.0411 -0.8185 -0.5096 0.117 Uiso 1 1 calc R
C28 C -1.0895(5) -0.7404(5) -0.5189(5) 0.098(3) Uani 1 1 d .
H28 H -1.1186 -0.7652 -0.5618 0.118 Uiso 1 1 calc R
C29 C -1.0934(5) -0.6730(5) -0.4922(4) 0.085(2) Uani 1 1 d .
H29 H -1.1229 -0.6494 -0.5176 0.102 Uiso 1 1 calc R
C30 C -1.0554(5) -0.6361(5) -0.4281(4) 0.0734(18) Uani 1 1 d .
H30 H -1.0589 -0.5878 -0.4105 0.088 Uiso 1 1 calc R
B1 B -0.6667 -0.3333 -0.6708(12) 0.077(5) Uani 1 3 d S
B2 B -0.6667 -0.3333 -0.3978(6) 0.045(2) Uani 1 3 d S
B3 B -0.6667 -0.3333 -0.0877(12) 0.099(6) Uani 1 3 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'
O O 0.0106 0.0060 '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'
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
C12 Ag1 C19 176.29(16) . 3_455
C10 O1 C9 111.7(4) . .
C22 O2 C21 109.3(4) . .
C11 N1 C8 122.7(4) . .
C12 N1 C8 127.4(4) . .
C12 N1 C11 109.7(4) . .
N3 N2 C13 119.0(3) . .
C12 N2 N3 113.6(3) . .
C12 N2 C13 127.4(3) . .
C11 N3 N2 102.6(4) . .
C19 N4 C20 109.2(4) . .
C19 N4 C23 128.1(4) . .
C20 N4 C23 122.6(4) . .
N6 N5 C17 117.4(3) . .
C19 N5 N6 114.6(3) . .
C19 N5 C17 127.8(3) . .
C20 N6 N5 101.9(4) . .
C2 C1 H1 118.7 . .
C2 C1 C6 122.7(7) . .
C6 C1 H1 118.7 . .
C1 C2 H2 119.9 . .
C3 C2 C1 120.2(8) . .
C3 C2 H2 119.9 . .
C2 C3 H3 119.8 . .
C2 C3 C4 120.4(7) . .
C4 C3 H3 119.8 . .
C3 C4 H4 120.1 . .
C3 C4 C5 119.8(8) . .
C5 C4 H4 120.1 . .
C4 C5 H5 120.4 . .
C6 C5 C4 119.2(7) . .
C6 C5 H5 120.4 . .
C1 C6 C5 117.2(6) . .
C1 C6 C7 122.7(5) . .
C5 C6 C7 120.0(5) . .
C6 C7 H7A 109.0 . .
C6 C7 H7B 109.0 . .
C6 C7 C8 113.1(4) . .
H7A C7 H7B 107.8 . .
C8 C7 H7A 109.0 . .
C8 C7 H7B 109.0 . .
N1 C8 C7 108.5(4) . .
N1 C8 H8 109.0 . .
N1 C8 C9 107.1(4) . .
C7 C8 H8 109.0 . .
C9 C8 C7 114.1(4) . .
C9 C8 H8 109.0 . .
O1 C9 C8 109.7(4) . .
O1 C9 H9B 109.7 . .
O1 C9 H9A 109.7 . .
C8 C9 H9B 109.7 . .
C8 C9 H9A 109.7 . .
H9B C9 H9A 108.2 . .
O1 C10 H10A 109.3 . .
O1 C10 H10B 109.3 . .
O1 C10 C11 111.5(4) . .
H10A C10 H10B 108.0 . .
C11 C10 H10A 109.3 . .
C11 C10 H10B 109.3 . .
N1 C11 C10 120.3(4) . .
N3 C11 N1 111.0(4) . .
N3 C11 C10 128.7(4) . .
N1 C12 Ag1 126.5(3) . .
N2 C12 Ag1 130.3(3) . .
N2 C12 N1 103.2(4) . .
C14 C13 N2 119.9(4) . .
C14 C13 C18 122.2(4) . .
C18 C13 N2 117.8(4) . .
C13 C14 H14 120.1 . .
C13 C14 C15 119.8(4) . .
C15 C14 H14 120.1 . .
C14 C15 H15 120.5 . .
C14 C15 C16 119.0(4) . .
C16 C15 H15 120.5 . .
C15 C16 H16 120.3 . .
C17 C16 C15 119.3(4) . .
C17 C16 H16 120.3 . .
C16 C17 N5 118.4(4) . .
C16 C17 C18 122.8(4) . .
C18 C17 N5 118.6(4) . .
C13 C18 H18 121.6 . .
C17 C18 C13 116.8(3) . .
C17 C18 H18 121.6 . .
N4 C19 Ag1 126.5(3) . 5_445
N5 C19 Ag1 129.8(3) . 5_445
N5 C19 N4 103.3(4) . .
N4 C20 C21 122.2(5) . .
N6 C20 N4 111.0(4) . .
N6 C20 C21 126.6(5) . .
O2 C21 C20 110.9(5) . .
O2 C21 H21B 109.5 . .
O2 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
C20 C21 H21A 109.5 . .
H21B C21 H21A 108.1 . .
O2 C22 H22A 109.5 . .
O2 C22 H22B 109.5 . .
O2 C22 C23 110.7(5) . .
H22A C22 H22B 108.1 . .
C23 C22 H22A 109.5 . .
C23 C22 H22B 109.5 . .
N4 C23 C22 103.9(4) . .
N4 C23 H23 109.5 . .
N4 C23 C24 111.8(4) . .
C22 C23 H23 109.5 . .
C24 C23 C22 112.7(4) . .
C24 C23 H23 109.5 . .
C23 C24 H24A 108.5 . .
C23 C24 H24B 108.5 . .
H24A C24 H24B 107.5 . .
C25 C24 C23 115.3(4) . .
C25 C24 H24A 108.5 . .
C25 C24 H24B 108.5 . .
C26 C25 C24 121.9(6) . .
C26 C25 C30 116.2(6) . .
C30 C25 C24 121.9(5) . .
C25 C26 H26 120.2 . .
C25 C26 C27 119.5(7) . .
C27 C26 H26 120.2 . .
C26 C27 H27 119.9 . .
C28 C27 C26 120.2(8) . .
C28 C27 H27 119.9 . .
C27 C28 H28 119.1 . .
C27 C28 C29 121.8(9) . .
C29 C28 H28 119.1 . .
C28 C29 H29 119.1 . .
C28 C29 C30 121.9(8) . .
C30 C29 H29 119.1 . .
C25 C30 H30 119.9 . .
C29 C30 C25 120.3(7) . .
C29 C30 H30 119.9 . .
F1 B1 F2 108.9(9) . 5_445
F1 B1 F2 108.9(9) . .
F1 B1 F2 108.9(9) . 3_455
F2 B1 F2 110.1(9) 5_445 .
F2 B1 F2 110.1(9) 5_445 3_455
F2 B1 F2 110.1(9) 3_455 .
F4 B2 F3 101.7(6) 3_455 .
F4 B2 F3 101.7(6) 5_445 .
F4 B2 F3 101.7(6) . .
F4 B2 F4 116.0(4) 5_445 3_455
F4 B2 F4 116.0(4) 3_455 .
F4 B2 F4 116.0(4) 5_445 .
F6 B3 F5 86.1(11) . .
F6 B3 F5 86.1(11) 3_455 .
F6 B3 F5 86.1(11) 5_445 .
F6 B3 F6 119.5(3) 5_445 .
F6 B3 F6 119.5(3) 5_445 3_455
F6 B3 F6 119.5(3) 3_455 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C12 2.091(4) .
Ag1 C19 2.103(4) 3_455
F1 B1 1.30(2) .
F2 B1 1.364(8) .
F3 B2 1.417(14) .
F4 B2 1.323(5) .
F5 B3 1.38(2) .
F6 B3 1.297(8) .
O1 C9 1.432(6) .
O1 C10 1.400(6) .
O2 C21 1.412(7) .
O2 C22 1.408(9) .
N1 C8 1.482(7) .
N1 C11 1.360(6) .
N1 C12 1.345(6) .
N2 N3 1.397(5) .
N2 C12 1.326(6) .
N2 C13 1.427(5) .
N3 C11 1.300(6) .
N4 C19 1.349(5) .
N4 C20 1.362(6) .
N4 C23 1.478(7) .
N5 N6 1.389(5) .
N5 C17 1.443(5) .
N5 C19 1.319(6) .
N6 C20 1.315(6) .
C1 H1 0.9300 .
C1 C2 1.361(10) .
C1 C6 1.360(9) .
C2 H2 0.9300 .
C2 C3 1.325(15) .
C3 H3 0.9300 .
C3 C4 1.338(14) .
C4 H4 0.9300 .
C4 C5 1.429(10) .
C5 H5 0.9300 .
C5 C6 1.361(8) .
C6 C7 1.509(7) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 C8 1.528(7) .
C8 H8 0.9800 .
C8 C9 1.506(7) .
C9 H9B 0.9700 .
C9 H9A 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 C11 1.493(6) .
C13 C14 1.367(6) .
C13 C18 1.405(6) .
C14 H14 0.9300 .
C14 C15 1.396(8) .
C15 H15 0.9300 .
C15 C16 1.409(8) .
C16 H16 0.9300 .
C16 C17 1.369(6) .
C17 C18 1.382(7) .
C18 H18 0.9300 .
C19 Ag1 2.103(4) 5_445
C20 C21 1.491(7) .
C21 H21B 0.9700 .
C21 H21A 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 C23 1.549(7) .
C23 H23 0.9800 .
C23 C24 1.516(8) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 C25 1.479(7) .
C25 C26 1.355(9) .
C25 C30 1.424(9) .
C26 H26 0.9300 .
C26 C27 1.454(9) .
C27 H27 0.9300 .
C27 C28 1.286(11) .
C28 H28 0.9300 .
C28 C29 1.302(11) .
C29 H29 0.9300 .
C29 C30 1.362(10) .
C30 H30 0.9300 .
B1 F2 1.364(8) 3_455
B1 F2 1.364(8) 5_445
B2 F4 1.323(5) 5_445
B2 F4 1.323(5) 3_455
B3 F6 1.297(8) 5_445
B3 F6 1.297(8) 3_455
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_4
O1 C10 C11 N1 18.6(7) . .
O1 C10 C11 N3 -161.9(5) . .
O2 C22 C23 N4 -57.5(5) . .
O2 C22 C23 C24 63.6(6) . .
N1 C8 C9 O1 -53.5(5) . .
N2 N3 C11 N1 1.4(5) . .
N2 N3 C11 C10 -178.2(5) . .
N2 C13 C14 C15 177.2(4) . .
N2 C13 C18 C17 -177.3(4) . .
N3 N2 C12 Ag1 179.3(3) . .
N3 N2 C12 N1 0.4(5) . .
N3 N2 C13 C14 54.1(6) . .
N3 N2 C13 C18 -129.5(4) . .
N4 C20 C21 O2 14.4(8) . .
N4 C23 C24 C25 -72.7(6) . .
N5 N6 C20 N4 1.7(5) . .
N5 N6 C20 C21 -173.9(5) . .
N5 C17 C18 C13 178.0(4) . .
N6 N5 C17 C16 50.7(5) . .
N6 N5 C17 C18 -125.6(4) . .
N6 N5 C19 Ag1 171.3(3) . 5_445
N6 N5 C19 N4 -1.6(5) . .
N6 C20 C21 O2 -170.4(5) . .
C1 C2 C3 C4 2.5(18) . .
C1 C6 C7 C8 66.8(8) . .
C2 C1 C6 C5 -4.7(12) . .
C2 C1 C6 C7 178.6(8) . .
C2 C3 C4 C5 1.5(16) . .
C3 C4 C5 C6 -7.2(12) . .
C4 C5 C6 C1 8.5(10) . .
C4 C5 C6 C7 -174.7(6) . .
C5 C6 C7 C8 -109.9(6) . .
C6 C1 C2 C3 -0.9(17) . .
C6 C7 C8 N1 -169.7(4) . .
C6 C7 C8 C9 70.9(6) . .
C7 C8 C9 O1 66.7(5) . .
C8 N1 C11 N3 173.4(4) . .
C8 N1 C11 C10 -7.0(7) . .
C8 N1 C12 Ag1 7.1(6) . .
C8 N1 C12 N2 -173.9(4) . .
C9 O1 C10 C11 -50.0(7) . .
C10 O1 C9 C8 71.0(6) . .
C11 N1 C8 C7 -99.8(5) . .
C11 N1 C8 C9 23.9(6) . .
C11 N1 C12 Ag1 -178.5(3) . .
C11 N1 C12 N2 0.5(5) . .
C12 N1 C8 C7 73.9(6) . .
C12 N1 C8 C9 -162.4(4) . .
C12 N1 C11 N3 -1.3(5) . .
C12 N1 C11 C10 178.3(4) . .
C12 N2 N3 C11 -1.1(5) . .
C12 N2 C13 C14 -126.2(5) . .
C12 N2 C13 C18 50.2(6) . .
C13 N2 N3 C11 178.6(4) . .
C13 N2 C12 Ag1 -0.4(7) . .
C13 N2 C12 N1 -179.3(4) . .
C13 C14 C15 C16 -1.8(8) . .
C14 C13 C18 C17 -1.0(7) . .
C14 C15 C16 C17 2.6(8) . .
C15 C16 C17 N5 -178.8(4) . .
C15 C16 C17 C18 -2.7(7) . .
C16 C17 C18 C13 1.9(7) . .
C17 N5 N6 C20 175.1(4) . .
C17 N5 C19 Ag1 -3.3(6) . 5_445
C17 N5 C19 N4 -176.2(4) . .
C18 C13 C14 C15 1.0(7) . .
C19 Ag1 C12 N1 49(3) 3_455 .
C19 Ag1 C12 N2 -130(2) 3_455 .
C19 N4 C20 N6 -2.9(6) . .
C19 N4 C20 C21 173.0(5) . .
C19 N4 C23 C22 -152.7(5) . .
C19 N4 C23 C24 85.5(6) . .
C19 N5 N6 C20 0.0(5) . .
C19 N5 C17 C16 -134.9(5) . .
C19 N5 C17 C18 48.8(6) . .
C20 N4 C19 Ag1 -170.6(3) . 5_445
C20 N4 C19 N5 2.6(5) . .
C20 N4 C23 C22 22.4(6) . .
C20 N4 C23 C24 -99.4(5) . .
C21 O2 C22 C23 74.9(6) . .
C22 O2 C21 C20 -48.7(7) . .
C22 C23 C24 C25 170.8(5) . .
C23 N4 C19 Ag1 5.0(6) . 5_445
C23 N4 C19 N5 178.2(4) . .
C23 N4 C20 N6 -178.8(4) . .
C23 N4 C20 C21 -2.9(7) . .
C23 C24 C25 C26 102.1(7) . .
C23 C24 C25 C30 -78.1(7) . .
C24 C25 C26 C27 -179.2(6) . .
C24 C25 C30 C29 -178.7(6) . .
C25 C26 C27 C28 -4.0(12) . .
C26 C25 C30 C29 1.2(10) . .
C26 C27 C28 C29 5.0(14) . .
C27 C28 C29 C30 -2.8(14) . .
C28 C29 C30 C25 -0.4(12) . .
C30 C25 C26 C27 0.9(10) . .
