#------------------------------------------------------------------------------
#$Date: 2019-05-25 03:12:17 +0300 (Sat, 25 May 2019) $
#$Revision: 215504 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/35/7123548.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_7123548
loop_
_publ_author_name
'Yue, Cheng-Yang'
'Yue, Yun-Di'
'Sun, Hai-Xiao'
'Li, Dong-Yang'
'Lin, Na'
'Wang, Xin-Ming'
'Jin, Ying-Xue'
'Dong, Yu-Han'
'Jing, Zhi-Hong'
'Lei, Xiao-Wu'
_publ_section_title
;
 Transition metal complex dye-sensitized 3D iodoplumbates: syntheses,
 structures and photoelectric properties
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02301A
_journal_year                    2019
_chemical_formula_moiety         C60N12H49Ni2Pb8I21
_chemical_formula_sum            'C60 H49 I21 N12 Ni2 Pb8'
_chemical_formula_weight         5377.95
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-03-12 deposited with the CCDC.    2019-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 117.54
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.9716(8)
_cell_length_b                   14.5395(6)
_cell_length_c                   19.6731(8)
_cell_measurement_reflns_used    4569
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.8329
_cell_measurement_theta_min      2.3694
_cell_volume                     5065.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega 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  0.0688
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            57862
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    20.044
_exptl_absorpt_correction_T_max  27.1589
_exptl_absorpt_correction_T_min  2.5687
_exptl_absorpt_correction_type   multi-scan?
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4636
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         4.503
_refine_diff_density_min         -5.612
_refine_diff_density_rms         0.347
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         11459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0622
_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)+(0.0930P)²+84.9265P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1629
_refine_ls_wR_factor_ref         0.1878
_reflns_number_gt                7479
_reflns_number_total             11459
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9cc02301a2.cif
_cod_data_source_block           C60N12H49Ni2Pb8I21
_cod_original_cell_volume        5065.1(4)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7123548
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pb1 Pb 0.26977(4) 0.16173(5) 0.17444(5) 0.0502(2) Uani 1 1 d .
Pb2 Pb 0.06701(4) 0.17181(5) 0.20120(4) 0.04778(19) Uani 1 1 d .
Pb3 Pb 0.16740(4) 0.15465(5) -0.06879(5) 0.0536(2) Uani 1 1 d .
Pb4 Pb 0.37553(5) 0.18210(7) 0.41775(5) 0.0661(2) Uani 1 1 d .
I11 I 0.44122(6) 0.16246(7) 0.30301(6) 0.0366(2) Uani 1 1 d .
I10 I 0.09623(6) 0.15867(9) 0.04615(6) 0.0505(3) Uani 1 1 d .
I9 I 0.29261(6) 0.30393(8) 0.04277(7) 0.0490(3) Uani 1 1 d .
I8 I 0.23429(6) 0.03293(8) 0.28029(6) 0.0443(3) Uani 1 1 d .
I7 I 0.04852(7) 0.19337(8) 0.34855(7) 0.0491(3) Uani 1 1 d .
I6 I 0.29404(6) 0.00996(8) 0.07926(7) 0.0465(3) Uani 1 1 d .
I5 I -0.05007(7) 0.31309(9) 0.11082(8) 0.0562(3) Uani 1 1 d .
I4 I -0.05259(8) 0.00817(9) 0.16416(9) 0.0626(4) Uani 1 1 d .
Ni1 Ni -0.27877(10) 0.15876(12) 0.31441(10) 0.0271(4) Uani 1 1 d .
I3 I 0.47442(13) 0.34759(12) 0.48548(11) 0.0901(6) Uani 1 1 d .
I2 I 0.21970(12) 0.17873(10) -0.21356(10) 0.0793(5) Uani 1 1 d .
I1 I 0.4837(2) 0.0203(2) 0.4990(2) 0.0624(9) Uani 0.50 1 d P
N6 N -0.3579(6) 0.0680(8) 0.2703(6) 0.026(2) Uani 1 1 d .
N5 N -0.3600(6) 0.2452(8) 0.2575(7) 0.027(2) Uani 1 1 d .
N4 N -0.2024(6) 0.2546(8) 0.3518(7) 0.029(3) Uani 1 1 d .
N3 N -0.2935(6) 0.1548(7) 0.4035(6) 0.025(2) Uani 1 1 d .
N2 N -0.2000(7) 0.0693(8) 0.3718(8) 0.036(3) Uani 1 1 d .
N1 N -0.2602(8) 0.1591(9) 0.2262(7) 0.039(3) Uani 1 1 d .
C9 C -0.2503(8) 0.0911(10) 0.4584(9) 0.032(3) Uani 1 1 d .
C8 C -0.4266(8) 0.1051(9) 0.2207(8) 0.026(3) Uani 1 1 d .
C7 C -0.3532(9) 0.3368(9) 0.2558(9) 0.035(3) Uani 1 1 d .
H7 H -0.3067 0.3640 0.2864 0.042 Uiso 1 1 calc .
C6 C -0.4272(7) 0.2028(10) 0.2149(7) 0.027(3) Uani 1 1 d .
C5 C -0.1720(8) 0.2733(11) 0.3029(10) 0.040(4) Uani 1 1 d .
C4 C -0.3471(8) 0.2018(12) 0.4147(9) 0.037(3) Uani 1 1 d .
H4 H -0.3778 0.2439 0.3779 0.045 Uiso 1 1 calc .
C3 C -0.3523(10) -0.0220(10) 0.2799(10) 0.043(4) Uani 1 1 d .
H3 H -0.3057 -0.0463 0.3140 0.052 Uiso 1 1 calc .
C2 C -0.1959(8) 0.0465(10) 0.4398(9) 0.035(3) Uani 1 1 d .
C1 C -0.1771(9) 0.2972(10) 0.4182(10) 0.039(4) Uani 1 1 d .
H1 H -0.1957 0.2793 0.4516 0.047 Uiso 1 1 calc .
C23 C -0.4882(8) 0.0481(11) 0.1788(9) 0.036(3) Uani 1 1 d .
H23 H -0.5343 0.0732 0.1442 0.043 Uiso 1 1 calc .
C22 C -0.4806(10) -0.0453(11) 0.1891(10) 0.041(4) Uani 1 1 d .
H22 H -0.5209 -0.0843 0.1609 0.049 Uiso 1 1 calc .
C21 C -0.4899(8) 0.2565(12) 0.1665(9) 0.039(4) Uani 1 1 d .
H21 H -0.5356 0.2280 0.1348 0.047 Uiso 1 1 calc .
C20 C -0.1235(10) 0.3681(14) 0.4409(13) 0.059(5) Uani 1 1 d .
H20 H -0.1088 0.4008 0.4862 0.071 Uiso 1 1 calc .
C19 C -0.4842(9) 0.3497(11) 0.1656(10) 0.042(4) Uani 1 1 d .
H19 H -0.5263 0.3858 0.1364 0.051 Uiso 1 1 calc .
C18 C -0.1409(9) -0.0153(12) 0.4856(11) 0.048(4) Uani 1 1 d .
H18 H -0.1373 -0.0300 0.5332 0.058 Uiso 1 1 calc .
C17 C -0.3566(10) 0.1887(14) 0.4783(10) 0.051(5) Uani 1 1 d .
H17 H -0.3910 0.2240 0.4866 0.061 Uiso 1 1 calc .
C16 C -0.4103(12) -0.0809(12) 0.2431(11) 0.055(5) Uani 1 1 d .
H16 H -0.4041 -0.1436 0.2532 0.066 Uiso 1 1 calc .
C15 C -0.2043(9) 0.2182(12) 0.2323(10) 0.041(4) Uani 1 1 d .
C14 C -0.4125(10) 0.3905(10) 0.2104(12) 0.050(5) Uani 1 1 d .
H14 H -0.4063 0.4537 0.2086 0.060 Uiso 1 1 calc .
C13 C -0.2599(11) 0.0753(13) 0.5212(9) 0.047(4) Uani 1 1 d .
H13 H -0.2293 0.0328 0.5576 0.057 Uiso 1 1 calc .
C12 C -0.1518(11) 0.0325(13) 0.3490(12) 0.056(5) Uani 1 1 d .
H12 H -0.1559 0.0488 0.3015 0.067 Uiso 1 1 calc .
C11 C -0.0934(10) 0.3860(14) 0.3890(14) 0.059(6) Uani 1 1 d .
H11 H -0.0568 0.4313 0.4014 0.071 Uiso 1 1 calc .
C10 C -0.1163(10) 0.3391(13) 0.3224(14) 0.054(5) Uani 1 1 d .
H10 H -0.0948 0.3512 0.2902 0.065 Uiso 1 1 calc .
C31 C -0.2918(12) 0.1040(15) 0.1653(12) 0.062(6) Uani 1 1 d .
H31 H -0.3286 0.0620 0.1613 0.075 Uiso 1 1 calc .
C30 C -0.3132(13) 0.1203(16) 0.5314(11) 0.063(6) Uani 1 1 d .
H30 H -0.3216 0.1065 0.5730 0.076 Uiso 1 1 calc .
C29 C -0.0938(11) -0.0544(12) 0.4654(13) 0.062(6) Uani 1 1 d .
H29 H -0.0593 -0.0980 0.4968 0.074 Uiso 1 1 calc .
C28 C -0.2701(15) 0.1088(19) 0.1076(11) 0.082(8) Uani 1 1 d .
H28 H -0.2934 0.0724 0.0639 0.098 Uiso 1 1 calc .
C27 C -0.0962(11) -0.0289(15) 0.3948(15) 0.069(6) Uani 1 1 d .
H27 H -0.0617 -0.0526 0.3798 0.083 Uiso 1 1 calc .
C26 C -0.1805(13) 0.2233(18) 0.1793(14) 0.069(6) Uani 1 1 d .
H26 H -0.1419 0.2636 0.1853 0.083 Uiso 1 1 calc .
C25 C -0.2132(16) 0.169(2) 0.1168(17) 0.094(10) Uani 1 1 d .
H25 H -0.1971 0.1720 0.0794 0.113 Uiso 1 1 calc .
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'
Ni Ni 0.3393 1.1124 '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'
Pb Pb -3.3944 10.1111 '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
I6 Pb1 I8 97.14(4) . .
I6 Pb1 I11 94.12(3) . .
I8 Pb1 I11 87.96(3) . .
I6 Pb1 I10 85.88(4) . .
I8 Pb1 I10 91.18(3) . .
I11 Pb1 I10 179.14(4) . .
I5 Pb2 I7 95.03(4) . .
I5 Pb2 I4 94.52(4) . .
I7 Pb2 I4 83.65(4) . .
I5 Pb2 I10 85.18(4) . .
I7 Pb2 I10 176.25(4) . .
I4 Pb2 I10 100.08(4) . .
I7 Pb3 I10 82.76(4) 4_565 .
I7 Pb3 I4 92.99(4) 4_565 3
I10 Pb3 I4 89.76(4) . 3
I7 Pb3 I9 92.37(4) 4_565 .
I10 Pb3 I9 88.00(4) . .
I4 Pb3 I9 173.89(4) 3 .
I3 Pb4 I1 102.78(9) . .
I3 Pb4 I11 89.08(4) . .
I1 Pb4 I11 82.94(7) . .
Pb4 I11 Pb1 85.24(3) . .
Pb3 I10 Pb1 83.35(3) . .
Pb3 I10 Pb2 165.35(4) . .
Pb1 I10 Pb2 82.14(3) . .
Pb3 I7 Pb2 99.73(4) 4_566 .
Pb2 I4 Pb3 158.60(6) . 3
N3 Ni1 N6 87.1(5) . .
N3 Ni1 N1 177.5(5) . .
N6 Ni1 N1 93.2(6) . .
N3 Ni1 N5 96.1(5) . .
N6 Ni1 N5 83.8(5) . .
N1 Ni1 N5 86.4(5) . .
N3 Ni1 N4 95.8(5) . .
N6 Ni1 N4 175.9(5) . .
N1 Ni1 N4 84.0(6) . .
N5 Ni1 N4 93.1(5) . .
N3 Ni1 N2 82.8(5) . .
N6 Ni1 N2 94.5(5) . .
N1 Ni1 N2 94.8(5) . .
N5 Ni1 N2 177.9(5) . .
N4 Ni1 N2 88.7(5) . .
I1 I1 Pb4 150.6(5) 3_656 .
C3 N6 C8 118.8(13) . .
C3 N6 Ni1 128.0(11) . .
C8 N6 Ni1 113.1(9) . .
C7 N5 C6 121.2(12) . .
C7 N5 Ni1 126.1(10) . .
C6 N5 Ni1 112.7(9) . .
C1 N4 C5 120.5(13) . .
C1 N4 Ni1 125.9(10) . .
C5 N4 Ni1 113.5(11) . .
C4 N3 C9 117.5(12) . .
C4 N3 Ni1 126.6(10) . .
C9 N3 Ni1 115.6(9) . .
C2 N2 C12 120.6(14) . .
C2 N2 Ni1 113.8(10) . .
C12 N2 Ni1 125.6(12) . .
C31 N1 C15 119.0(15) . .
C31 N1 Ni1 126.7(13) . .
C15 N1 Ni1 114.2(11) . .
C13 C9 N3 121.7(14) . .
C13 C9 C2 126.3(15) . .
N3 C9 C2 112.0(12) . .
N6 C8 C23 120.3(12) . .
N6 C8 C6 114.6(12) . .
C23 C8 C6 125.0(13) . .
N5 C7 C14 121.5(14) . .
N5 C7 H7 119.3 . .
C14 C7 H7 119.3 . .
N5 C6 C21 118.9(14) . .
N5 C6 C8 115.7(12) . .
C21 C6 C8 125.3(13) . .
C10 C5 N4 120.0(18) . .
C10 C5 C15 125.8(16) . .
N4 C5 C15 114.1(14) . .
C17 C4 N3 121.9(15) . .
C17 C4 H4 119.1 . .
N3 C4 H4 119.1 . .
N6 C3 C16 123.8(16) . .
N6 C3 H3 118.1 . .
C16 C3 H3 118.1 . .
N2 C2 C18 118.3(16) . .
N2 C2 C9 115.6(13) . .
C18 C2 C9 126.1(16) . .
N4 C1 C20 123.3(17) . .
N4 C1 H1 118.4 . .
C20 C1 H1 118.4 . .
C22 C23 C8 119.6(15) . .
C22 C23 H23 120.2 . .
C8 C23 H23 120.2 . .
C23 C22 C16 118.7(15) . .
C23 C22 H22 120.7 . .
C16 C22 H22 120.7 . .
C19 C21 C6 120.4(14) . .
C19 C21 H21 119.8 . .
C6 C21 H21 119.8 . .
C1 C20 C11 115(2) . .
C1 C20 H20 122.7 . .
C11 C20 H20 122.7 . .
C21 C19 C14 118.4(13) . .
C21 C19 H19 120.8 . .
C14 C19 H19 120.8 . .
C29 C18 C2 123.3(19) . .
C29 C18 H18 118.3 . .
C2 C18 H18 118.3 . .
C4 C17 C30 118.6(17) . .
C4 C17 H17 120.7 . .
C30 C17 H17 120.7 . .
C3 C16 C22 118.6(15) . .
C3 C16 H16 120.7 . .
C22 C16 H16 120.7 . .
C26 C15 N1 122.5(19) . .
C26 C15 C5 123.3(18) . .
N1 C15 C5 114.2(13) . .
C7 C14 C19 119.5(14) . .
C7 C14 H14 120.3 . .
C19 C14 H14 120.3 . .
C30 C13 C9 120.7(17) . .
C30 C13 H13 119.7 . .
C9 C13 H13 119.7 . .
N2 C12 C27 121.5(19) . .
N2 C12 H12 119.3 . .
C27 C12 H12 119.3 . .
C10 C11 C20 122.3(17) . .
C10 C11 H11 118.8 . .
C20 C11 H11 118.8 . .
C11 C10 C5 119.0(18) . .
C11 C10 H10 120.5 . .
C5 C10 H10 120.5 . .
N1 C31 C28 120(2) . .
N1 C31 H31 119.8 . .
C28 C31 H31 119.8 . .
C13 C30 C17 119.4(16) . .
C13 C30 H30 120.3 . .
C17 C30 H30 120.3 . .
C18 C29 C27 118.8(16) . .
C18 C29 H29 120.6 . .
C27 C29 H29 120.6 . .
C25 C28 C31 118(2) . .
C25 C28 H28 120.9 . .
C31 C28 H28 120.9 . .
C12 C27 C29 117.3(18) . .
C12 C27 H27 121.3 . .
C29 C27 H27 121.3 . .
C15 C26 C25 119(2) . .
C15 C26 H26 120.6 . .
C25 C26 H26 120.6 . .
C26 C25 C28 121(2) . .
C26 C25 H25 119.5 . .
C28 C25 H25 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 I6 3.0741(14) .
Pb1 I8 3.1160(13) .
Pb1 I11 3.1800(12) .
Pb1 I10 3.2085(13) .
Pb2 I5 3.0005(14) .
Pb2 I7 3.1029(14) .
Pb2 I4 3.2073(15) .
Pb2 I10 3.3658(13) .
Pb3 I7 3.0975(14) 4_565
Pb3 I10 3.1796(13) .
Pb3 I4 3.2254(15) 3
Pb3 I9 3.2719(14) .
Pb4 I3 3.0053(19) .
Pb4 I1 3.092(3) .
Pb4 I11 3.1042(14) .
I7 Pb3 3.0974(14) 4_566
I4 Pb3 3.2253(15) 3
Ni1 N3 1.907(11) .
Ni1 N6 1.930(12) .
Ni1 N1 1.935(12) .
Ni1 N5 1.945(11) .
Ni1 N4 1.943(12) .
Ni1 N2 1.949(11) .
I1 I1 0.867(6) 3_656
N6 C3 1.319(17) .
N6 C8 1.373(17) .
N5 C7 1.341(17) .
N5 C6 1.357(17) .
N4 C1 1.32(2) .
N4 C5 1.381(19) .
N3 C4 1.372(19) .
N3 C9 1.380(18) .
N2 C2 1.34(2) .
N2 C12 1.35(2) .
N1 C31 1.33(3) .
N1 C15 1.37(2) .
C9 C13 1.36(2) .
C9 C2 1.45(2) .
C8 C23 1.39(2) .
C8 C6 1.425(19) .
C7 C14 1.35(2) .
C7 H7 0.9300 .
C6 C21 1.41(2) .
C5 C10 1.38(2) .
C5 C15 1.47(3) .
C4 C17 1.36(2) .
C4 H4 0.9300 .
C3 C16 1.35(2) .
C3 H3 0.9300 .
C2 C18 1.38(2) .
C1 C20 1.40(2) .
C1 H1 0.9300 .
C23 C22 1.37(2) .
C23 H23 0.9300 .
C22 C16 1.41(3) .
C22 H22 0.9300 .
C21 C19 1.36(2) .
C21 H21 0.9300 .
C20 C11 1.43(3) .
C20 H20 0.9300 .
C19 C14 1.42(2) .
C19 H19 0.9300 .
C18 C29 1.31(3) .
C18 H18 0.9300 .
C17 C30 1.41(3) .
C17 H17 0.9300 .
C16 H16 0.9300 .
C15 C26 1.33(2) .
C14 H14 0.9300 .
C13 C30 1.34(3) .
C13 H13 0.9300 .
C12 C27 1.39(3) .
C12 H12 0.9300 .
C11 C10 1.36(3) .
C11 H11 0.9300 .
C10 H10 0.9300 .
C31 C28 1.39(3) .
C31 H31 0.9300 .
C30 H30 0.9300 .
C29 C27 1.42(3) .
C29 H29 0.9300 .
C28 C25 1.38(4) .
C28 H28 0.9300 .
C27 H27 0.9300 .
C26 C25 1.35(4) .
C26 H26 0.9300 .
C25 H25 0.9300 .
