#------------------------------------------------------------------------------
#$Date: 2022-06-06 04:58:33 +0300 (Mon, 06 Jun 2022) $
#$Revision: 275814 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/14/7061464.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_7061464
loop_
_publ_author_name
'Mannarsamy, Maruthupandi'
'Nandeshwar, Muneshwar'
'Veerapathiran, Sabari'
'Mandal, Suman'
'Harijan, Dinesh'
'Subramaniyam, Kalaivanan'
'Muduli, Gopendra'
'Prabusankar, Ganesan'
_publ_section_title
;
 Dinuclear complexes, a one dimensional chain and a two dimensional layer
 of bismuth(iii) chalcogenones for C--S cross coupling reactions
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10256
_journal_page_last               10263
_journal_paper_doi               10.1039/D2NJ01151D
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C19 H12 Cl N S'
_chemical_formula_sum            'C19 H12 Cl N S'
_chemical_formula_weight         321.83
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2yc'
_space_group_name_H-M_alt        'I 1 2/c 1'
_symmetry_Int_Tables_number      15
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-04-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-04-12 deposited with the CCDC.	2022-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.162(11)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   25.360(3)
_cell_length_b                   7.5833(5)
_cell_length_c                   33.138(3)
_cell_measurement_reflns_used    802
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.8360
_cell_measurement_theta_min      2.6110
_cell_volume                     5982.3(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1293
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.8494
_diffrn_measured_fraction_theta_max 0.8494
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     67.00  95.00   1.00   10.94    --   19.48 178.00-180.00   28
  2  ω    -20.00  84.00   1.00   10.94    --   19.48   0.00-180.00  104
  3  ω     12.00  92.00   1.00   10.94    --   19.48  38.00-150.00   80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0149489000
_diffrn_orient_matrix_UB_12      0.0137148000
_diffrn_orient_matrix_UB_13      0.0142964000
_diffrn_orient_matrix_UB_21      0.0233233000
_diffrn_orient_matrix_UB_22      0.0465019000
_diffrn_orient_matrix_UB_23      0.0141878000
_diffrn_orient_matrix_UB_31      -0.0109898000
_diffrn_orient_matrix_UB_32      0.0799776000
_diffrn_orient_matrix_UB_33      -0.0106936000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1147
_diffrn_reflns_av_unetI/netI     0.3028
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            12375
_diffrn_reflns_theta_full        29.0862
_diffrn_reflns_theta_max         29.09
_diffrn_reflns_theta_min         2.49
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.389
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.4292
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2661.1969
_exptl_crystal_size_max          0.077
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.062
_refine_diff_density_max         2.0951
_refine_diff_density_min         -1.2456
_refine_diff_density_rms         0.3136
_refine_ls_d_res_high            0.7310
_refine_ls_d_res_low             8.1881
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_goodness_of_fit_ref   0.9540
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    48
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6817
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.9540
_refine_ls_R_factor_all          0.3443
_refine_ls_R_factor_gt           0.0800
_refine_ls_shift/su_max          2.0818
_refine_ls_shift/su_mean         0.4192
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.1791
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              31
_reflns_limit_h_min              -33
_reflns_limit_k_max              9
_reflns_limit_k_min              0
_reflns_limit_l_max              42
_reflns_limit_l_min              0
_reflns_number_gt                1409
_reflns_number_total             6817
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d2nj01151d2.cif
_cod_data_source_block           V
_cod_depositor_comments
'Adding full bibliography for 7061460--7061465.cif.'
_cod_original_cell_volume        5982.3(10)
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_database_code               7061464
_chemical_oxdiff_formula         C16H20N3S
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C38(H38), C37(H37), C35(H35), C34(H34), C23(H23), C22(H22), C21(H21),
 C20(H20), C24(H24), C25(H25), C26(H26), C27(H27), C15(H15), C16(H16), C18(H18),
  C19(H19), C4(H4), C3(H3), C2(H2), C1(H1), C5(H5), C6(H6), C7(H7), C8(H8)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.386
_oxdiff_exptl_absorpt_empirical_full_min 0.676
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z-1/2
5 x+1/2,y+1/2,z+1/2
6 -x+1/2,y+1/2,-z+1
7 -x+1/2,-y+1/2,-z+1/2
8 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_refinement_flags_posn
S2 S 0.46927(10) 0.4225(3) 0.58557(7) 0.0644(7) Uani 1.000000 .
S1 S 0.78856(11) 0.1700(3) 0.66664(8) 0.0703(8) Uani 1.000000 .
Cl Cl 0.43853(10) -0.2179(3) 0.69526(8) 0.0858(9) Uani 1.000000 .
Cl1 Cl 0.80754(11) -0.4745(3) 0.55462(9) 0.0922(9) Uani 1.000000 .
N1 N 0.7532(3) -0.0553(8) 0.7834(2) 0.0472(18) Uani 1.000000 .
N2 N 0.5043(3) 0.1980(9) 0.4681(2) 0.053(2) Uani 1.000000 .
C19 C 0.7839(3) -0.1898(10) 0.6477(2) 0.051(2) Uani 1.000000 .
C34 C 0.4676(3) 0.0609(10) 0.6036(2) 0.047(2) Uani 1.000000 .
C29 C 0.4389(4) 0.2666(10) 0.5061(3) 0.047(2) Uani 1.000000 .
C38 C 0.4467(3) 0.2698(10) 0.6505(2) 0.055(2) Uani 1.000000 .
C13 C 0.7748(3) 0.0769(9) 0.7120(2) 0.042(2) Uani 1.000000 .
C33 C 0.4614(3) 0.2343(10) 0.6147(2) 0.046(2) Uani 1.000000 .
C15 C 0.8119(3) 0.0098(10) 0.6024(3) 0.056(2) Uani 1.000000 .
C35 C 0.4604(3) -0.0762(10) 0.6283(3) 0.052(2) Uani 1.000000 .
C12 C 0.8057(4) -0.0530(10) 0.7829(3) 0.048(2) Uani 1.000000 .
C14 C 0.7957(3) -0.0189(10) 0.6372(2) 0.046(2) Uani 1.000000 .
C30 C 0.5376(3) 0.3282(10) 0.5398(3) 0.044(2) Uani 1.000000 .
C16 C 0.8157(3) -0.1306(11) 0.5765(3) 0.066(3) Uani 1.000000 .
C37 C 0.4410(3) 0.1322(11) 0.6764(3) 0.067(3) Uani 1.000000 .
C18 C 0.7893(3) -0.3309(11) 0.6229(3) 0.059(2) Uani 1.000000 .
C31 C 0.5462(4) 0.2584(10) 0.5028(3) 0.049(2) Uani 1.000000 .
C28 C 0.4529(4) 0.1993(11) 0.4706(3) 0.054(2) Uani 1.000000 .
C32 C 0.4833(4) 0.3285(9) 0.5412(3) 0.046(2) Uani 1.000000 .
C9 C 0.7114(4) 0.0046(10) 0.7493(3) 0.046(2) Uani 1.000000 .
C10 C 0.7202(3) 0.0714(9) 0.7120(3) 0.042(2) Uani 1.000000 .
C36 C 0.4476(3) -0.0413(11) 0.6646(3) 0.053(2) Uani 1.000000 .
C1 C 0.6558(4) -0.0048(10) 0.7512(3) 0.059(3) Uani 1.000000 .
C24 C 0.5856(4) 0.3870(10) 0.5743(3) 0.057(2) Uani 1.000000 .
C11 C 0.8193(4) 0.0132(10) 0.7464(3) 0.048(2) Uani 1.000000 .
C27 C 0.6009(4) 0.2526(12) 0.5012(3) 0.071(3) Uani 1.000000 .
C8 C 0.8498(4) -0.1185(11) 0.8189(3) 0.071(3) Uani 1.000000 .
C20 C 0.4094(4) 0.1325(10) 0.4335(3) 0.068(3) Uani 1.000000 .
C23 C 0.3820(4) 0.2543(11) 0.5035(3) 0.065(3) Uani 1.000000 .
C17 C 0.8043(3) -0.2973(11) 0.5875(3) 0.055(2) Uani 1.000000 .
C5 C 0.8764(4) 0.0119(11) 0.7497(3) 0.070(3) Uani 1.000000 .
C4 C 0.6716(4) 0.1317(10) 0.6777(3) 0.060(3) Uani 1.000000 .
C3 C 0.6198(4) 0.1209(11) 0.6798(3) 0.071(3) Uani 1.000000 .
C7 C 0.9023(5) -0.1196(12) 0.8201(3) 0.085(3) Uani 1.000000 .
C25 C 0.6374(4) 0.3810(11) 0.5706(3) 0.070(3) Uani 1.000000 .
C26 C 0.6457(4) 0.3106(12) 0.5331(4) 0.075(3) Uani 1.000000 .
C2 C 0.6121(4) 0.0536(11) 0.7159(4) 0.073(3) Uani 1.000000 .
C22 C 0.3419(4) 0.1885(13) 0.4692(4) 0.085(3) Uani 1.000000 .
C21 C 0.3557(5) 0.1256(11) 0.4329(3) 0.086(3) Uani 1.000000 .
C6 C 0.9174(4) -0.0562(14) 0.7857(4) 0.088(4) Uani 1.000000 .
H38 H 0.4407(3) 0.3855(10) 0.6572(2) 0.066(3) Uiso 1.000000 R
H37 H 0.4330(3) 0.1551(11) 0.7012(3) 0.080(3) Uiso 1.000000 R
H35 H 0.4642(3) -0.1921(10) 0.6205(3) 0.063(3) Uiso 1.000000 R
H34 H 0.4768(3) 0.0374(10) 0.5793(2) 0.056(3) Uiso 1.000000 R
H23 H 0.3723(4) 0.2935(11) 0.5266(3) 0.078(3) Uiso 1.000000 R
H22 H 0.3050(4) 0.1831(13) 0.4686(4) 0.102(4) Uiso 1.000000 R
H21 H 0.3276(5) 0.0801(11) 0.4090(3) 0.103(4) Uiso 1.000000 R
H20 H 0.4180(4) 0.0938(10) 0.4099(3) 0.082(3) Uiso 1.000000 R
H24 H 0.5816(4) 0.4296(10) 0.5994(3) 0.068(3) Uiso 1.000000 R
H25 H 0.6682(4) 0.4235(11) 0.5930(3) 0.084(3) Uiso 1.000000 R
H26 H 0.6813(4) 0.3057(12) 0.5310(4) 0.090(4) Uiso 1.000000 R
H27 H 0.6059(4) 0.2062(12) 0.4768(3) 0.085(4) Uiso 1.000000 R
H15 H 0.8202(3) 0.1235(10) 0.5960(3) 0.067(3) Uiso 1.000000 R
H16 H 0.8258(3) -0.1121(11) 0.5524(3) 0.079(3) Uiso 1.000000 R
H18 H 0.7830(3) -0.4457(11) 0.6300(3) 0.071(3) Uiso 1.000000 R
H19 H 0.7725(3) -0.2083(10) 0.6712(2) 0.061(3) Uiso 1.000000 R
H4 H 0.6761(4) 0.1797(10) 0.6533(3) 0.072(3) Uiso 1.000000 R
H3 H 0.5890(4) 0.1591(11) 0.6568(3) 0.085(4) Uiso 1.000000 R
H2 H 0.5758(4) 0.0472(11) 0.7165(4) 0.087(4) Uiso 1.000000 R
H1 H 0.6495(4) -0.0486(10) 0.7753(3) 0.071(3) Uiso 1.000000 R
H5 H 0.8865(4) 0.0576(11) 0.7274(3) 0.084(4) Uiso 1.000000 R
H6 H 0.9546(4) -0.0600(14) 0.7871(4) 0.105(4) Uiso 1.000000 R
H7 H 0.9302(5) -0.1636(12) 0.8443(3) 0.102(4) Uiso 1.000000 R
H8 H 0.8415(4) -0.1616(11) 0.8423(3) 0.085(3) Uiso 1.000000 R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
S 0.12424 0.12443 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360
56.17200 0.866900026798
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
_geom_angle_publ_flag
C32 S2 C33 102.7(4) . . ?
C14 S1 C13 103.2(3) . . ?
C9 N1 C12 119.2(7) . . ?
C28 N2 C31 116.2(7) . . ?
C18 C19 C14 119.5(7) . . ?
C35 C34 C33 120.6(7) . . ?
C32 C29 C28 116.6(8) . . ?
C23 C29 C28 117.4(8) . . ?
C23 C29 C32 125.8(8) . . ?
C37 C38 C33 119.8(8) . . ?
C10 C13 S1 119.5(6) . . ?
C11 C13 S1 119.1(6) . . ?
C11 C13 C10 121.3(8) . . ?
C34 C33 S2 125.0(6) . . ?
C38 C33 S2 115.0(6) . . ?
C38 C33 C34 119.9(7) . . ?
C16 C15 C14 120.1(7) . . ?
C36 C35 C34 119.7(8) . . ?
C11 C12 N1 122.5(8) . . ?
C8 C12 N1 118.9(9) . . ?
C8 C12 C11 118.6(9) . . ?
C19 C14 S1 122.5(6) . . ?
C15 C14 S1 116.8(6) . . ?
C15 C14 C19 120.7(7) . . ?
C32 C30 C31 118.5(8) . . ?
C24 C30 C31 117.9(8) . . ?
C24 C30 C32 123.6(8) . . ?
C17 C16 C15 118.4(8) . . ?
C36 C37 C38 119.2(8) . . ?
C17 C18 C19 118.4(8) . . ?
C30 C31 N2 123.6(8) . . ?
C27 C31 N2 116.9(9) . . ?
C27 C31 C30 119.4(9) . . ?
C29 C28 N2 125.2(8) . . ?
C20 C28 N2 115.0(9) . . ?
C20 C28 C29 119.7(9) . . ?
C29 C32 S2 119.4(7) . . ?
C30 C32 S2 120.7(7) . . ?
C30 C32 C29 119.7(8) . . ?
C10 C9 N1 122.7(8) . . ?
C1 C9 N1 116.9(8) . . ?
C1 C9 C10 120.4(8) . . ?
C9 C10 C13 117.8(7) . . ?
C4 C10 C13 125.1(8) . . ?
C4 C10 C9 117.0(8) . . ?
C35 C36 Cl 118.7(7) . . ?
C37 C36 Cl 120.5(7) . . ?
C37 C36 C35 120.7(8) . . ?
C2 C1 C9 117.5(9) . . ?
C25 C24 C30 120.1(8) . . ?
C12 C11 C13 116.4(8) . . ?
C5 C11 C13 126.0(9) . . ?
C5 C11 C12 117.5(8) . . ?
C26 C27 C31 122.8(10) . . ?
C7 C8 C12 121.5(10) . . ?
C21 C20 C28 119.9(10) . . ?
C22 C23 C29 122.4(9) . . ?
C16 C17 Cl1 118.9(7) . . ?
C18 C17 Cl1 118.3(7) . . ?
C18 C17 C16 122.8(7) . . ?
C6 C5 C11 121.0(10) . . ?
C3 C4 C10 121.8(9) . . ?
C2 C3 C4 120.2(9) . . ?
C6 C7 C8 121.8(11) . . ?
C26 C25 C24 121.6(9) . . ?
C25 C26 C27 118.2(9) . . ?
C3 C2 C1 123.0(9) . . ?
C21 C22 C23 120.1(10) . . ?
C22 C21 C20 120.4(10) . . ?
C7 C6 C5 119.5(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S2 C33 1.772(7) . ?
S2 C32 1.778(8) . ?
S1 C13 1.801(7) . ?
S1 C14 1.778(8) . ?
Cl C36 1.743(8) . ?
Cl1 C17 1.750(7) . ?
N1 C12 1.338(9) . ?
N1 C9 1.336(9) . ?
N2 C31 1.349(9) . ?
N2 C28 1.337(9) . ?
C19 C14 1.401(9) . ?
C19 C18 1.386(9) . ?
C34 C33 1.389(9) . ?
C34 C35 1.374(9) . ?
C29 C28 1.433(10) . ?
C29 C32 1.393(10) . ?
C29 C23 1.420(10) . ?
C38 C33 1.388(9) . ?
C38 C37 1.389(9) . ?
C13 C10 1.386(9) . ?
C13 C11 1.385(10) . ?
C15 C14 1.367(9) . ?
C15 C16 1.391(9) . ?
C35 C36 1.377(9) . ?
C12 C11 1.454(10) . ?
C12 C8 1.415(10) . ?
C30 C31 1.419(10) . ?
C30 C32 1.393(10) . ?
C30 C24 1.424(10) . ?
C16 C17 1.373(10) . ?
C37 C36 1.399(10) . ?
C18 C17 1.376(9) . ?
C31 C27 1.406(10) . ?
C28 C20 1.431(11) . ?
C9 C10 1.422(9) . ?
C9 C1 1.433(10) . ?
C10 C4 1.433(10) . ?
C1 C2 1.377(11) . ?
C24 C25 1.362(10) . ?
C11 C5 1.413(10) . ?
C27 C26 1.332(11) . ?
C8 C7 1.321(11) . ?
C20 C21 1.357(11) . ?
C23 C22 1.335(11) . ?
C5 C6 1.384(12) . ?
C4 C3 1.344(10) . ?
C3 C2 1.374(10) . ?
C7 C6 1.405(12) . ?
C25 C26 1.433(11) . ?
C22 C21 1.442(12) . ?
