#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/91/7209134.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_7209134
loop_
_publ_author_name
'Li, Hao-Hong'
'Xing, Yuan-Yuan'
'Lian, Zhao-Xun'
'Gong, An-Wen'
'Wu, Hong-Yan'
'Li, Yi'
'Chen, Zhi-Rong'
_publ_section_title
;
 Rigidity/flexibility competition in organic/iodoargentate hybrids: a
 combined experimental and theoretical study
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1721
_journal_paper_doi               10.1039/c2ce26640g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'Ag5 I7, C18 H26 N2'
_chemical_formula_sum            'C18 H26 Ag5 I7 N2'
_chemical_formula_weight         1698.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           145
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_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                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.0730(17)
_cell_length_b                   12.0730(17)
_cell_length_c                   20.906(4)
_cell_measurement_reflns_used    11507
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      1.95
_cell_volume                     2639.0(7)
_computing_cell_refinement       'TEXRAY software'
_computing_data_collection
'TEXRAY software (Molecular Structure Corporation, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)')'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean None
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Weissenberg IP'
_diffrn_measurement_method       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotor target'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0992
_diffrn_reflns_av_sigmaI/netI    0.0928
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11507
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         None
_exptl_absorpt_coefficient_mu    8.887
_exptl_absorpt_correction_T_max  0.396
_exptl_absorpt_correction_T_min  0.125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'TEXRAY software (Molecular Structure Corporation, 1999)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    3.205
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             2262
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.362
_refine_diff_density_min         -2.061
_refine_diff_density_rms         0.460
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.63(8)
_refine_ls_extinction_coef       0.0039(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         7768
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1172P)²+0.9695P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1801
_refine_ls_wR_factor_ref         0.2029
_reflns_number_gt                5270
_reflns_number_total             7768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26640g.txt
_cod_data_source_block           p32
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     P32
_cod_original_sg_symbol_H-M      P32
_cod_database_code               7209134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
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
I1 I 0.80958(15) 0.8646(2) 0.02195(10) 0.0995(6) Uani 1 1 d .
I2 I 0.59090(19) 0.44101(19) 0.10441(8) 0.0883(5) Uani 1 1 d .
I3 I 0.37242(13) 0.54873(13) -0.03587(6) 0.0655(3) Uani 1 1 d .
I4 I 0.48339(13) 0.76677(12) 0.15467(6) 0.0656(3) Uani 1 1 d .
I5 I 0.49294(13) 0.51872(13) 0.30968(6) 0.0675(3) Uani 1 1 d .
I6 I 0.16703(15) 0.34040(14) 0.15026(8) 0.0794(4) Uani 1 1 d .
I7 I 0.08162(12) 0.65710(13) 0.07175(7) 0.0672(3) Uani 1 1 d .
Ag1 Ag 0.5782(2) 0.6540(2) 0.05997(11) 0.0891(5) Uani 1 1 d .
Ag2 Ag 0.43397(19) 0.5010(2) 0.17671(9) 0.0844(5) Uani 1 1 d .
Ag3 Ag 0.2269(2) 0.3982(2) 0.28227(10) 0.0942(6) Uani 1 1 d .
Ag4 Ag 0.2120(2) 0.5934(2) 0.16384(10) 0.0892(5) Uani 1 1 d .
Ag5 Ag 0.3307(2) 0.7307(2) 0.03250(13) 0.0981(6) Uani 1 1 d .
N1 N 1.199(3) 1.075(2) -0.0080(12) 0.104(4) Uani 1 1 d .
N2 N 1.470(3) 1.228(3) 0.4767(11) 0.100(3) Uani 1 1 d .
C1 C 1.152(4) 0.972(3) -0.0477(14) 0.104(4) Uani 1 1 d .
H1 H 1.1067 0.8902 -0.0304 0.125 Uiso 1 1 calc R
C2 C 1.171(4) 0.986(3) -0.1124(14) 0.104(4) Uani 1 1 d .
H2 H 1.1345 0.9150 -0.1394 0.125 Uiso 1 1 calc R
C3 C 1.244(4) 1.107(3) -0.1365(15) 0.104(4) Uani 1 1 d .
H3 H 1.2656 1.1203 -0.1797 0.125 Uiso 1 1 calc R
C4 C 1.287(4) 1.211(3) -0.0947(14) 0.104(4) Uani 1 1 d .
H4 H 1.3260 1.2945 -0.1102 0.125 Uiso 1 1 calc R
C5 C 1.269(4) 1.187(3) -0.0304(14) 0.104(4) Uani 1 1 d .
H5 H 1.3102 1.2546 -0.0020 0.125 Uiso 1 1 calc R
C6 C 1.169(3) 1.050(3) 0.0616(11) 0.089(7) Uani 1 1 d .
H6A H 1.1473 1.1112 0.0790 0.106 Uiso 1 1 calc R
H6B H 1.0954 0.9648 0.0673 0.106 Uiso 1 1 calc R
C7 C 1.273(3) 1.059(3) 0.0935(13) 0.089(7) Uiso 1 1 d .
H7A H 1.3466 1.1428 0.0855 0.107 Uiso 1 1 calc R
H7B H 1.2921 0.9958 0.0762 0.107 Uiso 1 1 calc R
C8 C 1.255(5) 1.040(5) 0.165(3) 0.151(15) Uiso 1 1 d .
H8A H 1.2583 1.1152 0.1831 0.181 Uiso 1 1 calc R
H8B H 1.1692 0.9685 0.1725 0.181 Uiso 1 1 calc R
C9 C 1.345(6) 1.015(6) 0.200(3) 0.18(2) Uiso 1 1 d .
H9A H 1.4324 1.0846 0.1972 0.219 Uiso 1 1 calc R
H9B H 1.3404 0.9351 0.1874 0.219 Uiso 1 1 calc R
C10 C 1.279(6) 1.005(7) 0.274(3) 0.18(2) Uiso 1 1 d .
H10A H 1.2003 1.0075 0.2716 0.221 Uiso 1 1 calc R
H10B H 1.2638 0.9285 0.2972 0.221 Uiso 1 1 calc R
C11 C 1.388(6) 1.127(5) 0.3041(14) 0.159(19) Uani 1 1 d .
H11A H 1.3907 1.2014 0.2850 0.190 Uiso 1 1 calc R
H11B H 1.4695 1.1315 0.2954 0.190 Uiso 1 1 calc R
C12 C 1.369(4) 1.128(3) 0.3781(13) 0.125(13) Uani 1 1 d .
H12A H 1.3007 1.1461 0.3869 0.150 Uiso 1 1 calc R
H12B H 1.3440 1.0441 0.3957 0.150 Uiso 1 1 calc R
C13 C 1.484(3) 1.221(3) 0.4070(13) 0.112(11) Uani 1 1 d .
H13A H 1.5089 1.3043 0.3883 0.135 Uiso 1 1 calc R
H13B H 1.5509 1.2018 0.3982 0.135 Uiso 1 1 calc R
C14 C 1.501(4) 1.162(3) 0.5139(13) 0.100(3) Uani 1 1 d .
H14 H 1.5264 1.1067 0.4970 0.120 Uiso 1 1 calc R
C15 C 1.495(3) 1.176(3) 0.5826(13) 0.100(3) Uani 1 1 d .
H15 H 1.5285 1.1400 0.6107 0.120 Uiso 1 1 calc R
C16 C 1.441(3) 1.240(3) 0.6040(14) 0.100(3) Uani 1 1 d .
H16 H 1.4312 1.2450 0.6479 0.120 Uiso 1 1 calc R
C17 C 1.401(3) 1.298(3) 0.5651(14) 0.100(3) Uani 1 1 d .
H17 H 1.3554 1.3360 0.5796 0.120 Uiso 1 1 calc R
C18 C 1.431(3) 1.298(3) 0.4992(14) 0.100(3) Uani 1 1 d .
H18 H 1.4211 1.3525 0.4716 0.120 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
Ag3 I1 Ag1 66.44(8) 2_664 .
Ag2 I2 Ag1 65.55(7) . .
Ag5 I3 Ag4 108.20(8) . 2_664
Ag5 I3 Ag1 76.31(8) . .
Ag4 I3 Ag1 124.51(8) 2_664 .
Ag5 I3 Ag3 67.88(7) . 2_664
Ag4 I3 Ag3 70.54(7) 2_664 2_664
Ag1 I3 Ag3 60.21(6) . 2_664
Ag4 I4 Ag1 105.84(7) . .
Ag4 I4 Ag2 70.48(6) . .
Ag1 I4 Ag2 61.45(6) . .
Ag4 I4 Ag5 64.25(7) . .
Ag1 I4 Ag5 73.58(7) . .
Ag2 I4 Ag5 101.17(7) . .
Ag5 I5 Ag3 72.70(7) 3_565 .
Ag5 I5 Ag2 106.78(8) 3_565 .
Ag3 I5 Ag2 65.76(6) . .
Ag4 I6 Ag3 75.57(7) . .
Ag4 I6 Ag2 72.95(7) . .
Ag3 I6 Ag2 65.51(6) . .
Ag5 I7 Ag4 68.28(8) . .
I1 Ag1 I2 116.10(10) . .
I1 Ag1 I4 102.34(9) . .
I2 Ag1 I4 114.41(9) . .
I1 Ag1 I3 116.36(9) . .
I2 Ag1 I3 104.53(9) . .
I4 Ag1 I3 102.63(8) . .
I1 Ag1 Ag2 142.42(11) . .
I2 Ag1 Ag2 56.88(6) . .
I4 Ag1 Ag2 60.11(6) . .
I3 Ag1 Ag2 100.47(8) . .
I1 Ag1 Ag3 56.56(7) . 2_664
I2 Ag1 Ag3 148.76(10) . 2_664
I4 Ag1 Ag3 96.64(8) . 2_664
I3 Ag1 Ag3 63.08(7) . 2_664
Ag2 Ag1 Ag3 149.35(10) . 2_664
I2 Ag2 I5 111.80(8) . .
I2 Ag2 I6 113.59(9) . .
I5 Ag2 I6 113.16(8) . .
I2 Ag2 I4 113.47(8) . .
I5 Ag2 I4 99.29(7) . .
I6 Ag2 I4 104.47(7) . .
I2 Ag2 Ag1 57.57(7) . .
I5 Ag2 Ag1 133.93(9) . .
I6 Ag2 Ag1 111.48(8) . .
I4 Ag2 Ag1 58.44(6) . .
I2 Ag2 Ag3 143.21(10) . .
I5 Ag2 Ag3 57.01(6) . .
I6 Ag2 Ag3 57.03(6) . .
I4 Ag2 Ag3 103.20(8) . .
Ag1 Ag2 Ag3 157.29(10) . .
I1 Ag3 I5 119.59(10) 3_565 .
I1 Ag3 I6 109.11(9) 3_565 .
I5 Ag3 I6 113.81(8) . .
I1 Ag3 Ag1 57.00(7) 3_565 3_565
I5 Ag3 Ag1 111.95(8) . 3_565
I6 Ag3 Ag1 131.99(10) . 3_565
I1 Ag3 Ag2 147.51(11) 3_565 .
I5 Ag3 Ag2 57.23(6) . .
I6 Ag3 Ag2 57.47(6) . .
Ag1 Ag3 Ag2 155.00(11) 3_565 .
I1 Ag3 I3 110.75(9) 3_565 3_565
I5 Ag3 I3 101.33(8) . 3_565
I6 Ag3 I3 100.18(8) . 3_565
Ag1 Ag3 I3 56.71(6) 3_565 3_565
Ag2 Ag3 I3 101.13(8) . 3_565
I1 Ag3 Ag5 114.44(9) 3_565 3_565
I5 Ag3 Ag5 53.39(6) . 3_565
I6 Ag3 Ag5 134.43(9) . 3_565
Ag1 Ag3 Ag5 67.87(8) 3_565 3_565
Ag2 Ag3 Ag5 89.76(8) . 3_565
I3 Ag3 Ag5 52.27(6) 3_565 3_565
I7 Ag4 I6 113.07(8) . .
I7 Ag4 I4 110.06(8) . .
I6 Ag4 I4 108.16(8) . .
I7 Ag4 I3 118.48(9) . 3_565
I6 Ag4 I3 106.79(8) . 3_565
I4 Ag4 I3 99.06(7) . 3_565
I7 Ag4 Ag5 55.45(6) . .
I6 Ag4 Ag5 105.70(9) . .
I4 Ag4 Ag5 60.51(7) . .
I3 Ag4 Ag5 145.83(10) 3_565 .
I7 Ag5 I5 118.84(9) . 2_664
I7 Ag5 I3 118.35(9) . .
I5 Ag5 I3 108.79(9) 2_664 .
I7 Ag5 I4 106.04(9) . .
I5 Ag5 I4 99.85(8) 2_664 .
I3 Ag5 I4 101.63(8) . .
I7 Ag5 Ag4 56.27(6) . .
I5 Ag5 Ag4 142.64(10) 2_664 .
I3 Ag5 Ag4 103.80(9) . .
I4 Ag5 Ag4 55.24(7) . .
I7 Ag5 Ag3 165.22(11) . 2_664
I5 Ag5 Ag3 53.91(6) 2_664 2_664
I3 Ag5 Ag3 59.85(7) . 2_664
I4 Ag5 Ag3 88.42(8) . 2_664
Ag4 Ag5 Ag3 138.04(10) . 2_664
C5 N1 C1 120(3) . .
C5 N1 C6 123(2) . .
C1 N1 C6 117(2) . .
C18 N2 C14 121(3) . .
C18 N2 C13 120(3) . .
C14 N2 C13 119(3) . .
N1 C1 C2 121(3) . .
N1 C1 H1 119.3 . .
C2 C1 H1 119.3 . .
C1 C2 C3 118(3) . .
C1 C2 H2 121.0 . .
C3 C2 H2 121.0 . .
C2 C3 C4 119(3) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.7 . .
C5 C4 C3 118(3) . .
C5 C4 H4 120.9 . .
C3 C4 H4 120.9 . .
N1 C5 C4 123(3) . .
N1 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
C7 C6 N1 110(2) . .
C7 C6 H6A 109.8 . .
N1 C6 H6A 109.8 . .
C7 C6 H6B 109.8 . .
N1 C6 H6B 109.8 . .
H6A C6 H6B 108.2 . .
C6 C7 C8 114(3) . .
C6 C7 H7A 108.8 . .
C8 C7 H7A 108.7 . .
C6 C7 H7B 108.8 . .
C8 C7 H7B 108.8 . .
H7A C7 H7B 107.6 . .
C9 C8 C7 118(4) . .
C9 C8 H8A 107.9 . .
C7 C8 H8A 107.9 . .
C9 C8 H8B 108.0 . .
C7 C8 H8B 107.9 . .
H8A C8 H8B 107.2 . .
C8 C9 C10 96(5) . .
C8 C9 H9A 112.6 . .
C10 C9 H9A 112.7 . .
C8 C9 H9B 112.5 . .
C10 C9 H9B 112.5 . .
H9A C9 H9B 110.1 . .
C11 C10 C9 99(4) . .
C11 C10 H10A 112.1 . .
C9 C10 H10A 112.1 . .
C11 C10 H10B 111.9 . .
C9 C10 H10B 112.0 . .
H10A C10 H10B 109.7 . .
C10 C11 C12 110(4) . .
C10 C11 H11A 109.6 . .
C12 C11 H11A 109.6 . .
C10 C11 H11B 109.7 . .
C12 C11 H11B 109.6 . .
H11A C11 H11B 108.1 . .
C13 C12 C11 110(3) . .
C13 C12 H12A 109.8 . .
C11 C12 H12A 109.8 . .
C13 C12 H12B 109.8 . .
C11 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C12 C13 N2 112(3) . .
C12 C13 H13A 109.2 . .
N2 C13 H13A 109.2 . .
C12 C13 H13B 109.2 . .
N2 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
N2 C14 C15 118(3) . .
N2 C14 H14 120.8 . .
C15 C14 H14 120.8 . .
C16 C15 C14 118(3) . .
C16 C15 H15 121.0 . .
C14 C15 H15 121.0 . .
C17 C16 C15 122(3) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
C16 C17 C18 116(3) . .
C16 C17 H17 122.0 . .
C18 C17 H17 122.0 . .
N2 C18 C17 123(3) . .
N2 C18 H18 118.4 . .
C17 C18 H18 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Ag3 2.779(3) 2_664
I1 Ag1 2.793(3) .
I2 Ag2 2.788(2) .
I2 Ag1 2.810(3) .
I3 Ag5 2.869(3) .
I3 Ag4 2.888(3) 2_664
I3 Ag1 2.940(3) .
I3 Ag3 3.136(3) 2_664
I4 Ag4 2.880(3) .
I4 Ag1 2.940(3) .
I4 Ag2 2.991(3) .
I4 Ag5 3.051(3) .
I5 Ag5 2.825(3) 3_565
I5 Ag3 2.844(3) .
I5 Ag2 2.851(2) .
I6 Ag4 2.837(3) .
I6 Ag3 2.850(3) .
I6 Ag2 2.864(3) .
I7 Ag5 2.799(3) .
I7 Ag4 2.826(2) .
Ag1 Ag2 3.030(3) .
Ag1 Ag3 3.052(3) 2_664
Ag2 Ag3 3.091(3) .
Ag3 I1 2.779(3) 3_565
Ag3 Ag1 3.052(3) 3_565
Ag3 I3 3.136(3) 3_565
Ag3 Ag5 3.360(3) 3_565
Ag4 I3 2.888(3) 3_565
Ag4 Ag5 3.157(3) .
Ag5 I5 2.825(3) 2_664
Ag5 Ag3 3.360(3) 2_664
N1 C5 1.27(4) .
N1 C1 1.36(4) .
N1 C6 1.50(3) .
N2 C18 1.24(4) .
N2 C14 1.30(3) .
N2 C13 1.47(4) .
C1 C2 1.37(4) .
C1 H1 0.9300 .
C2 C3 1.38(4) .
C2 H2 0.9300 .
C3 C4 1.40(4) .
C3 H3 0.9300 .
C4 C5 1.37(4) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.38(4) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.51(6) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.47(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.72(8) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.54(8) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.57(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.42(4) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.45(4) .
C14 H14 0.9300 .
C15 C16 1.32(4) .
C15 H15 0.9300 .
C16 C17 1.31(4) .
C16 H16 0.9300 .
C17 C18 1.42(4) .
C17 H17 0.9300 .
C18 H18 0.9300 .
