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#$Date: 2024-11-16 04:59:28 +0200 (Sat, 16 Nov 2024) $
#$Revision: 295962 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/11/05/4110575.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_4110575
loop_
_publ_author_name
'Brandi L. Schottel'
'Helen T. Chifotides'
'Mikhail Shatruk'
'Abdellatif Chouai'
'Lisa M. Pérez'
'John Bacsa'
'Kim R. Dunbar'
_publ_contact_author_address
; 
Department of Chemistry
Texas A&M University
PO Box 30012 
College Station 
Texas 77842-3012 
USA
;
_publ_contact_author_email       bschottel@mail.chem.tamu.edu
_publ_contact_author_fax         (979)8457177
_publ_contact_author_name        'Schottel, Brandi'
_publ_contact_author_phone       (979)8621485
_publ_section_title
;
 Anion-π Interactions as Controlling Elements in Self-Assembly Reactions
 of Ag(I) Complexes with π-Acidic Aromatic Rings
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5895
_journal_page_last               5912
_journal_paper_doi               10.1021/ja0606273
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C60 H52 Ag4 F24 N20 O8 Sb4'
_chemical_formula_weight         2555.70
_chemical_name_common            '[Ag4(bppn)4][SbF6]4 . CH3NO2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 116.38(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.595(5)
_cell_length_b                   14.620(3)
_cell_length_c                   25.322(5)
_cell_measurement_reflns_used    7944
_cell_measurement_temperature    111(2)
_cell_measurement_theta_max      27.212
_cell_measurement_theta_min      2.108
_cell_volume                     7825(3)
_computing_cell_refinement       'SMART V5.625 (Bruker, 2000)'
_computing_data_collection       'SMART V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT V6.32 (Bruker, 2001)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      111(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'SMART APEX CCD area-detector'
_diffrn_measurement_method       'profile data from 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  0.0700
_diffrn_reflns_av_sigmaI/netI    0.0717
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            33093
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.76
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.460
_exptl_absorpt_correction_T_max  0.7567
_exptl_absorpt_correction_T_min  0.6136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.03  (Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_description       block
_exptl_crystal_F_000             4896
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.535
_refine_diff_density_min         -1.080
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         9071
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0489
_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)+(0.0394P)²+42.4127P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1211
_reflns_number_gt                7533
_reflns_number_total             9071
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0606273si20060203_043813.cif
_cod_data_source_block           c:\structures\bs038\work\bs038
_cod_original_cell_volume        7826(3)
_cod_database_code               4110575
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sb1 Sb 0.113515(16) 0.44146(2) 0.141344(16) 0.02269(10) Uani 1 1 d .
Sb2 Sb -0.113735(16) 1.05175(2) 0.029416(17) 0.02318(10) Uani 1 1 d .
Ag1 Ag -0.000004(17) 0.72803(3) 0.164634(19) 0.02397(11) Uani 1 1 d .
Ag2 Ag 0.0000 0.51745(4) 0.2500 0.02337(14) Uani 1 2 d S
Ag3 Ag 0.0000 0.93541(4) 0.2500 0.02442(14) Uani 1 2 d S
F1 F 0.15930(19) 0.3327(2) 0.1524(2) 0.0523(11) Uani 1 1 d .
F2 F 0.17959(18) 0.4891(3) 0.20928(18) 0.0549(11) Uani 1 1 d .
F3 F 0.0751(2) 0.3980(3) 0.1862(2) 0.0685(14) Uani 1 1 d .
F4 F 0.15407(19) 0.4875(3) 0.09866(19) 0.0517(10) Uani 1 1 d .
F5 F 0.0486(2) 0.3962(4) 0.0736(2) 0.0816(17) Uani 1 1 d .
F6 F 0.07049(17) 0.5523(3) 0.13111(19) 0.0461(10) Uani 1 1 d .
F7 F -0.0558(2) 1.1319(4) 0.0815(2) 0.0825(18) Uani 1 1 d .
F8 F -0.0733(3) 0.9511(4) 0.0735(3) 0.106(2) Uani 1 1 d .
F9 F -0.1653(2) 1.0623(3) 0.0667(2) 0.0591(12) Uani 1 1 d .
F10 F -0.1739(2) 0.9754(3) -0.0277(3) 0.0764(16) Uani 1 1 d .
F11 F -0.1567(2) 1.1494(4) -0.0176(3) 0.0832(18) Uani 1 1 d .
F12 F -0.0626(2) 1.0416(3) -0.0091(2) 0.0621(13) Uani 1 1 d .
O1S O 0.1540(2) 0.2332(3) 0.0347(2) 0.0466(12) Uani 1 1 d .
O2S O 0.1528(2) 0.1531(3) 0.10491(19) 0.0381(10) Uani 1 1 d .
O3S O -0.1806(2) 1.2836(4) -0.1248(2) 0.0523(13) Uani 1 1 d .
O4S O -0.1890(2) 1.3444(3) -0.0519(2) 0.0399(11) Uani 1 1 d .
N1 N 0.08420(19) 0.8161(3) 0.17288(19) 0.0198(9) Uani 1 1 d .
N2 N 0.09218(18) 0.6692(3) 0.23964(18) 0.0162(8) Uani 1 1 d .
N3 N 0.09239(18) 0.5907(3) 0.26659(19) 0.0179(8) Uani 1 1 d .
N4 N 0.0831(2) 0.4378(3) 0.3216(2) 0.0227(9) Uani 1 1 d .
N5 N -0.08565(19) 0.6547(3) 0.09434(19) 0.0211(9) Uani 1 1 d .
N6 N -0.09322(18) 0.8035(3) 0.15354(19) 0.0170(8) Uani 1 1 d .
N7 N -0.09154(18) 0.8828(3) 0.18062(18) 0.0169(8) Uani 1 1 d .
N8 N -0.0806(2) 1.0313(3) 0.2467(2) 0.0244(10) Uani 1 1 d .
N1S N 0.1268(2) 0.1923(3) 0.0582(2) 0.0248(10) Uani 1 1 d .
N2S N -0.1582(2) 1.3127(3) -0.0753(2) 0.0311(11) Uani 1 1 d .
C1 C 0.0780(3) 0.8904(4) 0.1411(3) 0.0303(12) Uani 1 1 d .
H1 H 0.0378 0.9028 0.1093 0.036 Uiso 1 1 calc R
C2 C 0.1268(3) 0.9511(4) 0.1516(3) 0.0322(13) Uani 1 1 d .
H2 H 0.1205 1.0040 0.1278 0.039 Uiso 1 1 calc R
C3 C 0.1846(3) 0.9324(4) 0.1974(3) 0.0282(12) Uani 1 1 d .
H3 H 0.2190 0.9731 0.2062 0.034 Uiso 1 1 calc R
C4 C 0.1930(2) 0.8539(4) 0.2311(2) 0.0240(11) Uani 1 1 d .
H4 H 0.2330 0.8397 0.2627 0.029 Uiso 1 1 calc R
C5 C 0.1412(2) 0.7967(3) 0.2174(2) 0.0174(10) Uani 1 1 d .
C6 C 0.1463(2) 0.7117(3) 0.2511(2) 0.0179(10) Uani 1 1 d .
C7 C 0.2041(2) 0.6775(3) 0.2935(2) 0.0196(10) Uani 1 1 d .
H7 H 0.2425 0.7087 0.3023 0.024 Uiso 1 1 calc R
C8 C 0.2040(2) 0.5987(3) 0.3219(2) 0.0201(10) Uani 1 1 d .
H8 H 0.2423 0.5746 0.3516 0.024 Uiso 1 1 calc R
C9 C 0.1464(2) 0.5534(3) 0.3065(2) 0.0178(10) Uani 1 1 d .
C10 C 0.1413(2) 0.4652(3) 0.3328(2) 0.0182(10) Uani 1 1 d .
C11 C 0.1943(2) 0.4136(4) 0.3668(2) 0.0261(12) Uani 1 1 d .
H11 H 0.2351 0.4339 0.3734 0.031 Uiso 1 1 calc R
C12 C 0.1871(3) 0.3325(4) 0.3910(3) 0.0336(13) Uani 1 1 d .
H12 H 0.2229 0.2965 0.4149 0.040 Uiso 1 1 calc R
C13 C 0.1270(3) 0.3048(4) 0.3797(3) 0.0349(14) Uani 1 1 d .
H13 H 0.1206 0.2490 0.3955 0.042 Uiso 1 1 calc R
C14 C 0.0764(3) 0.3595(4) 0.3453(3) 0.0290(12) Uani 1 1 d .
H14 H 0.0351 0.3405 0.3381 0.035 Uiso 1 1 calc R
C15 C -0.0806(3) 0.5776(4) 0.0690(3) 0.0292(12) Uani 1 1 d .
H15 H -0.0397 0.5580 0.0754 0.035 Uiso 1 1 calc R
C16 C -0.1321(3) 0.5246(4) 0.0339(3) 0.0283(12) Uani 1 1 d .
H16 H -0.1268 0.4699 0.0163 0.034 Uiso 1 1 calc R
C17 C -0.1910(3) 0.5529(4) 0.0250(2) 0.0263(12) Uani 1 1 d .
H17 H -0.2273 0.5173 0.0016 0.032 Uiso 1 1 calc R
C18 C -0.1974(2) 0.6335(4) 0.0503(2) 0.0226(11) Uani 1 1 d .
H18 H -0.2380 0.6542 0.0443 0.027 Uiso 1 1 calc R
C19 C -0.1438(2) 0.6836(3) 0.0845(2) 0.0194(10) Uani 1 1 d .
C20 C -0.1474(2) 0.7711(3) 0.1126(2) 0.0174(10) Uani 1 1 d .
C21 C -0.2043(2) 0.8173(4) 0.0984(2) 0.0221(11) Uani 1 1 d .
H21 H -0.2433 0.7933 0.0697 0.027 Uiso 1 1 calc R
C22 C -0.2025(2) 0.8972(3) 0.1263(2) 0.0210(10) Uani 1 1 d .
H22 H -0.2403 0.9299 0.1181 0.025 Uiso 1 1 calc R
C23 C -0.1442(2) 0.9304(3) 0.1672(2) 0.0178(10) Uani 1 1 d .
C24 C -0.1371(2) 1.0177(3) 0.2006(2) 0.0208(10) Uani 1 1 d .
C25 C -0.1864(3) 1.0786(4) 0.1852(3) 0.0275(12) Uani 1 1 d .
H25 H -0.2262 1.0667 0.1528 0.033 Uiso 1 1 calc R
C26 C -0.1766(3) 1.1577(4) 0.2182(3) 0.0329(13) Uani 1 1 d .
H26 H -0.2092 1.2020 0.2080 0.039 Uiso 1 1 calc R
C27 C -0.1188(3) 1.1712(4) 0.2662(3) 0.0353(14) Uani 1 1 d .
H27 H -0.1115 1.2236 0.2905 0.042 Uiso 1 1 calc R
C28 C -0.0722(3) 1.1077(4) 0.2780(3) 0.0347(14) Uani 1 1 d .
H28 H -0.0319 1.1186 0.3101 0.042 Uiso 1 1 calc R
C1S C 0.0570(3) 0.1910(4) 0.0279(3) 0.0404(16) Uani 1 1 d .
H1SA H 0.0420 0.2283 -0.0079 0.061 Uiso 1 1 calc R
H1SC H 0.0403 0.2159 0.0542 0.061 Uiso 1 1 calc R
H1SB H 0.0422 0.1279 0.0174 0.061 Uiso 1 1 calc R
C2S C -0.0883(3) 1.3086(5) -0.0397(3) 0.0412(16) Uani 1 1 d .
H2SA H -0.0741 1.2451 -0.0371 0.062 Uiso 1 1 calc R
H2SC H -0.0769 1.3322 0.0000 0.062 Uiso 1 1 calc R
H2SB H -0.0680 1.3459 -0.0586 0.062 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'
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'
Sb Sb -0.5866 1.5461 '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'
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
F5 Sb1 F3 90.9(3) . .
F5 Sb1 F4 91.1(2) . .
F3 Sb1 F4 178.0(2) . .
F5 Sb1 F6 90.4(2) . .
F3 Sb1 F6 89.97(19) . .
F4 Sb1 F6 89.64(18) . .
F5 Sb1 F2 179.0(3) . .
F3 Sb1 F2 89.9(2) . .
F4 Sb1 F2 88.0(2) . .
F6 Sb1 F2 89.08(18) . .
F5 Sb1 F1 91.2(2) . .
F3 Sb1 F1 91.3(2) . .
F4 Sb1 F1 89.02(18) . .
F6 Sb1 F1 177.98(17) . .
F2 Sb1 F1 89.36(18) . .
F8 Sb2 F7 93.1(3) . .
F8 Sb2 F11 177.4(3) . .
F7 Sb2 F11 89.4(3) . .
F8 Sb2 F9 92.2(2) . .
F7 Sb2 F9 91.6(2) . .
F11 Sb2 F9 88.1(2) . .
F8 Sb2 F12 88.4(2) . .
F7 Sb2 F12 88.8(2) . .
F11 Sb2 F12 91.3(2) . .
F9 Sb2 F12 179.3(2) . .
F8 Sb2 F10 90.1(3) . .
F7 Sb2 F10 176.3(3) . .
F11 Sb2 F10 87.3(3) . .
F9 Sb2 F10 89.9(2) . .
F12 Sb2 F10 89.6(2) . .
N5 Ag1 N1 139.87(15) . .
N5 Ag1 N2 130.26(15) . .
N1 Ag1 N2 71.10(15) . .
N5 Ag1 N6 70.84(14) . .
N1 Ag1 N6 118.05(14) . .
N2 Ag1 N6 138.87(14) . .
N3 Ag2 N3 124.3(2) 2 .
N3 Ag2 N4 71.66(15) 2 2
N3 Ag2 N4 141.77(15) . 2
N3 Ag2 N4 141.77(15) 2 .
N3 Ag2 N4 71.66(15) . .
N4 Ag2 N4 119.4(2) 2 .
N7 Ag3 N7 139.6(2) . 2
N7 Ag3 N8 71.97(15) . .
N7 Ag3 N8 136.40(15) 2 .
N7 Ag3 N8 136.40(15) . 2
N7 Ag3 N8 71.97(15) 2 2
N8 Ag3 N8 106.2(2) . 2
C1 N1 C5 118.9(4) . .
C1 N1 Ag1 123.2(4) . .
C5 N1 Ag1 117.4(3) . .
C6 N2 N3 120.3(4) . .
C6 N2 Ag1 117.7(3) . .
N3 N2 Ag1 121.7(3) . .
N2 N3 C9 121.4(4) . .
N2 N3 Ag2 121.4(3) . .
C9 N3 Ag2 117.1(3) . .
C14 N4 C10 118.5(4) . .
C14 N4 Ag2 123.9(3) . .
C10 N4 Ag2 116.7(3) . .
C15 N5 C19 118.6(5) . .
C15 N5 Ag1 122.5(3) . .
C19 N5 Ag1 118.2(3) . .
C20 N6 N7 120.6(4) . .
C20 N6 Ag1 116.7(3) . .
N7 N6 Ag1 122.0(3) . .
C23 N7 N6 120.7(4) . .
C23 N7 Ag3 119.2(3) . .
N6 N7 Ag3 120.0(3) . .
C28 N8 C24 118.0(5) . .
C28 N8 Ag3 125.4(4) . .
C24 N8 Ag3 114.9(3) . .
O2S N1S O1S 124.5(5) . .
O2S N1S C1S 117.9(5) . .
O1S N1S C1S 117.6(5) . .
O3S N2S O4S 124.2(5) . .
O3S N2S C2S 118.2(5) . .
O4S N2S C2S 117.6(5) . .
N1 C1 C2 123.6(5) . .
C3 C2 C1 117.7(5) . .
C2 C3 C4 120.1(5) . .
C3 C4 C5 118.2(5) . .
N1 C5 C4 121.5(5) . .
N1 C5 C6 117.0(4) . .
C4 C5 C6 121.5(5) . .
N2 C6 C7 120.9(5) . .
N2 C6 C5 116.2(4) . .
C7 C6 C5 122.9(4) . .
C8 C7 C6 118.6(4) . .
C7 C8 C9 118.8(5) . .
N3 C9 C8 119.8(4) . .
N3 C9 C10 116.9(4) . .
C8 C9 C10 123.3(5) . .
N4 C10 C11 121.9(5) . .
N4 C10 C9 116.6(4) . .
C11 C10 C9 121.5(4) . .
C12 C11 C10 119.4(5) . .
C13 C12 C11 118.6(5) . .
C14 C13 C12 118.9(5) . .
N4 C14 C13 122.7(5) . .
N5 C15 C16 123.1(5) . .
C17 C16 C15 118.3(5) . .
C16 C17 C18 119.6(5) . .
C17 C18 C19 119.0(5) . .
N5 C19 C18 121.5(5) . .
N5 C19 C20 116.8(4) . .
C18 C19 C20 121.7(4) . .
N6 C20 C21 120.7(4) . .
N6 C20 C19 116.3(4) . .
C21 C20 C19 123.0(4) . .
C22 C21 C20 118.5(5) . .
C21 C22 C23 118.7(4) . .
N7 C23 C22 120.7(5) . .
N7 C23 C24 116.4(4) . .
C22 C23 C24 122.8(4) . .
N8 C24 C25 122.5(5) . .
N8 C24 C23 115.8(4) . .
C25 C24 C23 121.6(5) . .
C24 C25 C26 118.5(5) . .
C27 C26 C25 119.0(5) . .
C28 C27 C26 118.8(6) . .
N8 C28 C27 123.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 F5 1.842(4) .
Sb1 F3 1.851(4) .
Sb1 F4 1.859(4) .
Sb1 F6 1.868(3) .
Sb1 F2 1.869(4) .
Sb1 F1 1.872(4) .
Sb2 F8 1.837(4) .
Sb2 F7 1.839(4) .
Sb2 F11 1.847(4) .
Sb2 F9 1.849(4) .
Sb2 F12 1.863(4) .
Sb2 F10 1.878(4) .
Ag1 N5 2.281(4) .
Ag1 N1 2.298(4) .
Ag1 N2 2.325(4) .
Ag1 N6 2.364(4) .
Ag2 N3 2.294(4) 2
Ag2 N3 2.294(4) .
Ag2 N4 2.308(4) 2
Ag2 N4 2.308(4) .
Ag3 N7 2.230(4) .
Ag3 N7 2.230(4) 2
Ag3 N8 2.334(4) .
Ag3 N8 2.334(4) 2
O1S N1S 1.210(6) .
O2S N1S 1.207(6) .
O3S N2S 1.203(7) .
O4S N2S 1.215(6) .
N1 C1 1.320(7) .
N1 C5 1.346(6) .
N2 C6 1.331(6) .
N2 N3 1.334(6) .
N3 C9 1.341(6) .
N4 C14 1.334(7) .
N4 C10 1.336(6) .
N5 C15 1.328(7) .
N5 C19 1.349(6) .
N6 C20 1.325(6) .
N6 N7 1.337(6) .
N7 C23 1.329(6) .
N8 C28 1.333(7) .
N8 C24 1.341(7) .
N1S C1S 1.476(7) .
N2S C2S 1.487(7) .
C1 C2 1.384(8) .
C2 C3 1.370(9) .
C3 C4 1.390(8) .
C4 C5 1.392(7) .
C5 C6 1.483(7) .
C6 C7 1.401(7) .
C7 C8 1.357(7) .
C8 C9 1.402(6) .
C9 C10 1.480(7) .
C10 C11 1.384(7) .
C11 C12 1.379(8) .
C12 C13 1.378(8) .
C13 C14 1.378(8) .
C15 C16 1.382(8) .
C16 C17 1.371(8) .
C17 C18 1.380(8) .
C18 C19 1.383(7) .
C19 C20 1.485(7) .
C20 C21 1.399(7) .
C21 C22 1.357(7) .
C22 C23 1.391(7) .
C23 C24 1.499(7) .
C24 C25 1.377(7) .
C25 C26 1.384(8) .
C26 C27 1.379(9) .
C27 C28 1.367(8) .
