#------------------------------------------------------------------------------
#$Date: 2023-07-04 04:12:21 +0300 (Tue, 04 Jul 2023) $
#$Revision: 284768 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/18/7131814.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_7131814
loop_
_publ_author_name
'Weinert, Hanns M.'
'Schulte, Yannick'
'Gehlhaar, Alexander'
'Wölper, Christoph'
'Haberhauer, Gebhard'
'Schulz, Stephan'
_publ_section_title
;
 Metal-coordinated distibene and dibismuthene dications - isoelectronic
 analogues of butadiene dications.
;
_journal_issue                   50
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7755
_journal_page_last               7758
_journal_paper_doi               10.1039/d3cc01844j
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C62 H86 Cl4 F6 Ga2 N4 O6 S2 Sb2'
_chemical_formula_weight         1686.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-01-19 deposited with the CCDC.	2023-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 126.3345(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.5361(13)
_cell_length_b                   15.2489(7)
_cell_length_c                   21.8879(11)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      80.29
_cell_measurement_theta_min      3.52
_cell_volume                     7403.7(6)
_computing_cell_refinement       'Bruker APEX3(v2017.3-0)'
_computing_data_collection       'Bruker APEX3(v2017.3-0)'
_computing_data_reduction        'Bruker APEX3(v2017.3-0)'
_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'Bruker APEX3(v2017.3-0)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture (Photon II detector)'
_diffrn_measurement_method       'Data collection strategy APEX 3/Queen'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            139400
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         80.918
_diffrn_reflns_theta_min         3.517
_diffrn_source                   'micro-focus sealed tube'
_diffrn_source_type              'INCOATEC I\mS 3.0'
_exptl_absorpt_coefficient_mu    8.937
_exptl_absorpt_correction_T_max  0.06
_exptl_absorpt_correction_T_min  0.01
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 SADABS
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
 Crystal faces:

     H       K       L      d(mm)

  -1.000   0.000   1.000   0.13100
   1.000   0.000  -1.000   0.17400
   1.000  -1.000   1.000   0.16000
   0.000  -1.000   1.000   0.19900
   1.000  -1.000   0.000   0.21800
  -1.000   1.000   0.000   0.12000
   0.000   1.000   0.000   0.13700
   1.000   1.000   0.000   0.11100
  -1.000  -1.000   0.000   0.21600
   1.000   0.000   0.000   0.14100
  -1.000   0.000   0.000   0.18600
   1.000   1.000   1.000   0.13100
   0.000  -1.000  -1.000   0.25600
   0.000   1.000   1.000   0.11700
   1.000  -1.000  -1.000   0.25000
  -1.000   0.000  -1.000   0.23500
   1.000   0.000   1.000   0.15600
   0.000   0.000  -1.000   0.23800
   0.000   0.000   1.000   0.15200

  19 Faces  +  34 Corners  =  51 Edges  +  2
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_description       prism
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.467
_exptl_crystal_size_mid          0.378
_exptl_crystal_size_min          0.348
_refine_diff_density_max         3.275
_refine_diff_density_min         -1.739
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         8118
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0941P)²+20.0383P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1362
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8113
_reflns_number_total             8118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc01844j2.cif
_cod_data_source_block           mw_073_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7131814
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.103
_shelx_estimated_absorpt_t_max   0.147
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.51736(2) 0.43918(2) 0.47381(2) 0.03123(10) Uani 1 1 d . . . . .
Ga1 Ga 0.42208(2) 0.34608(2) 0.42186(2) 0.02084(11) Uani 1 1 d . . . . .
S1 S 0.33351(3) 0.27041(5) 0.24667(4) 0.02654(16) Uani 1 1 d . . . . .
F1 F 0.31867(14) 0.40548(17) 0.16368(14) 0.0552(6) Uani 1 1 d . . . . .
F2 F 0.38437(14) 0.3131(2) 0.18073(15) 0.0590(7) Uani 1 1 d . . . . .
F3 F 0.29043(15) 0.2827(2) 0.10461(13) 0.0689(9) Uani 1 1 d . . . . .
O1 O 0.38384(10) 0.32081(14) 0.31190(12) 0.0260(4) Uani 1 1 d . . . . .
O2 O 0.34799(12) 0.18077(16) 0.24614(14) 0.0370(5) Uani 1 1 d . . . . .
O3 O 0.27583(11) 0.28929(17) 0.22926(13) 0.0359(5) Uani 1 1 d . . . . .
N1 N 0.35085(11) 0.36308(16) 0.41656(14) 0.0231(5) Uani 1 1 d . . . . .
N2 N 0.43965(11) 0.22795(16) 0.46021(13) 0.0233(5) Uani 1 1 d . . . . .
C1 C 0.31523(14) 0.2925(2) 0.39798(16) 0.0260(6) Uani 1 1 d . . . . .
C2 C 0.33451(14) 0.2063(2) 0.40299(17) 0.0271(6) Uani 1 1 d . . . . .
H2 H 0.303644 0.163121 0.379666 0.032 Uiso 1 1 calc R U . . .
C3 C 0.39366(14) 0.17472(19) 0.43801(16) 0.0252(6) Uani 1 1 d . . . . .
C4 C 0.25080(16) 0.3061(2) 0.3684(2) 0.0367(7) Uani 1 1 d . . . . .
H4A H 0.230642 0.249144 0.356899 0.055 Uiso 1 1 calc R U . . .
H4B H 0.230296 0.341657 0.322121 0.055 Uiso 1 1 calc R U . . .
H4C H 0.249368 0.336418 0.406756 0.055 Uiso 1 1 calc R U . . .
C5 C 0.40339(16) 0.0772(2) 0.4476(2) 0.0330(7) Uani 1 1 d . . . . .
H5A H 0.396318 0.052052 0.401744 0.050 Uiso 1 1 calc R U . . .
H5B H 0.375287 0.051060 0.456004 0.050 Uiso 1 1 calc R U . . .
H5C H 0.444892 0.064930 0.491261 0.050 Uiso 1 1 calc R U . . .
C6 C 0.33498(14) 0.44842(19) 0.42971(18) 0.0251(6) Uani 1 1 d . . . . .
C7 C 0.31447(13) 0.5159(2) 0.37538(17) 0.0266(6) Uani 1 1 d . . . . .
C8 C 0.30621(16) 0.5993(2) 0.39360(19) 0.0322(7) Uani 1 1 d . . . . .
H8 H 0.292990 0.645521 0.357905 0.039 Uiso 1 1 calc R U . . .
C9 C 0.31687(16) 0.6162(2) 0.4626(2) 0.0343(7) Uani 1 1 d . . . . .
H9 H 0.311436 0.673656 0.474385 0.041 Uiso 1 1 calc R U . . .
C10 C 0.33549(18) 0.5490(2) 0.5145(2) 0.0347(7) Uani 1 1 d . . . . .
H10 H 0.341726 0.560673 0.561308 0.042 Uiso 1 1 calc R U . . .
C11 C 0.34532(15) 0.4645(2) 0.49970(19) 0.0299(6) Uani 1 1 d . . . . .
C12 C 0.29935(15) 0.5000(2) 0.29764(18) 0.0307(6) Uani 1 1 d . . . . .
H12 H 0.311526 0.438661 0.296301 0.037 Uiso 1 1 calc R U . . .
C13 C 0.23138(17) 0.5085(3) 0.2360(2) 0.0399(8) Uani 1 1 d . . . . .
H13A H 0.222316 0.494284 0.186510 0.060 Uiso 1 1 calc R U . . .
H13B H 0.218588 0.568711 0.235141 0.060 Uiso 1 1 calc R U . . .
H13C H 0.209770 0.467881 0.246771 0.060 Uiso 1 1 calc R U . . .
C14 C 0.3339(2) 0.5625(3) 0.2812(2) 0.0460(10) Uani 1 1 d . . . . .
H14A H 0.323999 0.549192 0.231183 0.069 Uiso 1 1 calc R U . . .
H14B H 0.377335 0.555015 0.320006 0.069 Uiso 1 1 calc R U . . .
H14C H 0.322516 0.623122 0.281949 0.069 Uiso 1 1 calc R U . . .
C15 C 0.36728(19) 0.3944(2) 0.5603(2) 0.0387(8) Uani 1 1 d . . . . .
H15 H 0.376719 0.340220 0.543425 0.046 Uiso 1 1 calc R U . . .
C16 C 0.3200(3) 0.3712(4) 0.5732(3) 0.0645(13) Uani 1 1 d . . . . .
H16A H 0.283325 0.350398 0.525527 0.097 Uiso 1 1 calc R U . . .
H16B H 0.310665 0.423341 0.590579 0.097 Uiso 1 1 calc R U . . .
H16C H 0.335756 0.325002 0.611613 0.097 Uiso 1 1 calc R U . . .
C17 C 0.4252(2) 0.4246(3) 0.6359(2) 0.0493(10) Uani 1 1 d . . . . .
H17A H 0.415739 0.472791 0.656829 0.074 Uiso 1 1 calc R U . . .
H17B H 0.454461 0.444785 0.627167 0.074 Uiso 1 1 calc R U . . .
H17C H 0.442419 0.375543 0.671762 0.074 Uiso 1 1 calc R U . . .
C18 C 0.50174(14) 0.19915(19) 0.50600(16) 0.0247(6) Uani 1 1 d . . . . .
C19 C 0.52841(16) 0.1707(2) 0.47141(18) 0.0296(6) Uani 1 1 d . . . . .
C20 C 0.59001(17) 0.1528(2) 0.5174(2) 0.0349(7) Uani 1 1 d . . . . .
H20 H 0.608735 0.133910 0.494563 0.042 Uiso 1 1 calc R U . . .
C21 C 0.62447(17) 0.1617(2) 0.5952(2) 0.0378(7) Uani 1 1 d . . . . .
H21 H 0.666443 0.149359 0.625590 0.045 Uiso 1 1 calc R U . . .
C22 C 0.59695(16) 0.1889(2) 0.62826(19) 0.0349(7) Uani 1 1 d . . . . .
H22 H 0.620557 0.193688 0.681916 0.042 Uiso 1 1 calc R U . . .
C23 C 0.53626(15) 0.2092(2) 0.58575(17) 0.0284(6) Uani 1 1 d . . . . .
C24 C 0.49273(18) 0.1602(3) 0.3858(2) 0.0384(8) Uani 1 1 d . . . . .
H24 H 0.449741 0.175421 0.362512 0.046 Uiso 1 1 calc R U . . .
C25 C 0.5158(3) 0.2226(3) 0.3536(3) 0.0560(12) Uani 1 1 d . . . . .
H25A H 0.490829 0.216791 0.298327 0.084 Uiso 1 1 calc R U . . .
H25B H 0.557706 0.208077 0.374923 0.084 Uiso 1 1 calc R U . . .
H25C H 0.513694 0.283121 0.367075 0.084 Uiso 1 1 calc R U . . .
C26 C 0.4947(2) 0.0654(3) 0.3644(2) 0.0500(11) Uani 1 1 d . . . . .
H26A H 0.470657 0.060284 0.309069 0.075 Uiso 1 1 calc R U . . .
H26B H 0.478118 0.026363 0.383407 0.075 Uiso 1 1 calc R U . . .
H26C H 0.536506 0.048815 0.386935 0.075 Uiso 1 1 calc R U . . .
C27 C 0.50748(16) 0.2427(2) 0.62317(17) 0.0310(6) Uani 1 1 d . . . . .
H27 H 0.478767 0.290499 0.590315 0.037 Uiso 1 1 calc R U . . .
C28 C 0.55371(19) 0.2821(3) 0.7017(2) 0.0432(8) Uani 1 1 d . . . . .
H28A H 0.532837 0.306561 0.721680 0.065 Uiso 1 1 calc R U . . .
H28B H 0.576208 0.328652 0.697645 0.065 Uiso 1 1 calc R U . . .
H28C H 0.581710 0.236231 0.735934 0.065 Uiso 1 1 calc R U . . .
C29 C 0.4716(2) 0.1729(3) 0.6304(2) 0.0422(8) Uani 1 1 d . . . . .
H29A H 0.439210 0.150932 0.579890 0.063 Uiso 1 1 calc R U . . .
H29B H 0.454051 0.198419 0.654396 0.063 Uiso 1 1 calc R U . . .
H29C H 0.498315 0.124313 0.661548 0.063 Uiso 1 1 calc R U . . .
C30 C 0.33196(19) 0.3210(3) 0.16970(19) 0.0396(8) Uani 1 1 d . . . . .
Cl1_1 Cl 0.1243(3) 0.4386(5) 0.3237(7) 0.068(2) Uani 0.59(4) 1 d D . P A 1
Cl2_1 Cl 0.1819(4) 0.5404(15) 0.4617(3) 0.098(3) Uani 0.59(4) 1 d D . P A 1
C1_1 C 0.1768(8) 0.5210(12) 0.3799(8) 0.043(3) Uani 0.59(4) 1 d D . P A 1
H1A_1 H 0.216856 0.503530 0.394044 0.052 Uiso 0.59(4) 1 calc R U P A 1
H1AB_1 H 0.164801 0.575859 0.350026 0.052 Uiso 0.59(4) 1 calc R U P A 1
C1_2 C 0.1668(12) 0.5363(13) 0.3669(13) 0.045(5) Uani 0.41(4) 1 d D . P A 2
H1A_2 H 0.205572 0.522920 0.375428 0.054 Uiso 0.41(4) 1 calc R U P A 2
H1AB_2 H 0.145481 0.580666 0.326106 0.054 Uiso 0.41(4) 1 calc R U P A 2
Cl1_2 Cl 0.1233(5) 0.4409(8) 0.3379(9) 0.082(3) Uani 0.41(4) 1 d D . P A 2
Cl2_2 Cl 0.1811(6) 0.5793(13) 0.4493(11) 0.087(4) Uani 0.41(4) 1 d D . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
_geom_angle_publ_flag
Ga1 Sb1 Sb1 92.444(13) . 5_666 ?
N1 Ga1 N2 97.88(11) . . ?
N1 Ga1 O1 99.34(10) . . ?
N2 Ga1 O1 99.25(9) . . ?
N1 Ga1 Sb1 133.68(8) . . ?
N2 Ga1 Sb1 113.31(8) . . ?
O1 Ga1 Sb1 107.90(6) . . ?
O2 S1 O3 117.64(16) . . ?
O2 S1 O1 113.45(14) . . ?
O3 S1 O1 114.18(14) . . ?
O2 S1 C30 104.51(17) . . ?
O3 S1 C30 104.72(17) . . ?
O1 S1 C30 99.58(15) . . ?
S1 O1 Ga1 141.10(14) . . ?
C1 N1 C6 121.6(3) . . ?
C1 N1 Ga1 116.6(2) . . ?
C6 N1 Ga1 121.8(2) . . ?
C3 N2 C18 123.1(2) . . ?
C3 N2 Ga1 118.2(2) . . ?
C18 N2 Ga1 118.37(19) . . ?
N1 C1 C2 123.6(3) . . ?
N1 C1 C4 118.9(3) . . ?
C2 C1 C4 117.5(3) . . ?
C1 C2 C3 128.8(3) . . ?
N2 C3 C2 122.2(3) . . ?
N2 C3 C5 120.0(3) . . ?
C2 C3 C5 117.8(3) . . ?
C11 C6 C7 120.9(3) . . ?
C11 C6 N1 118.8(3) . . ?
C7 C6 N1 120.1(3) . . ?
C8 C7 C6 118.4(3) . . ?
C8 C7 C12 119.1(3) . . ?
C6 C7 C12 122.5(3) . . ?
C9 C8 C7 121.2(3) . . ?
C8 C9 C10 119.7(3) . . ?
C9 C10 C11 121.5(3) . . ?
C10 C11 C6 118.3(3) . . ?
C10 C11 C15 118.6(3) . . ?
C6 C11 C15 123.2(3) . . ?
C7 C12 C14 111.7(3) . . ?
C7 C12 C13 110.9(3) . . ?
C14 C12 C13 110.2(3) . . ?
C11 C15 C16 112.4(4) . . ?
C11 C15 C17 110.5(3) . . ?
C16 C15 C17 109.0(3) . . ?
C19 C18 C23 121.0(3) . . ?
C19 C18 N2 120.2(3) . . ?
C23 C18 N2 118.4(3) . . ?
C20 C19 C18 118.3(3) . . ?
C20 C19 C24 119.3(3) . . ?
C18 C19 C24 122.4(3) . . ?
C21 C20 C19 121.6(3) . . ?
C20 C21 C22 119.0(3) . . ?
C23 C22 C21 122.2(3) . . ?
C22 C23 C18 117.8(3) . . ?
C22 C23 C27 121.2(3) . . ?
C18 C23 C27 121.0(3) . . ?
C19 C24 C25 111.1(4) . . ?
C19 C24 C26 111.3(3) . . ?
C25 C24 C26 110.3(3) . . ?
C29 C27 C23 113.4(3) . . ?
C29 C27 C28 108.5(3) . . ?
C23 C27 C28 112.5(3) . . ?
F2 C30 F3 108.1(3) . . ?
F2 C30 F1 108.4(3) . . ?
F3 C30 F1 108.1(3) . . ?
F2 C30 S1 111.5(3) . . ?
F3 C30 S1 109.8(3) . . ?
F1 C30 S1 110.8(3) . . ?
Cl2_1 C1_1 Cl1_1 112.0(8) . . ?
Cl2_2 C1_2 Cl1_2 112.2(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
Sb1 Ga1 2.5800(4) . ?
Sb1 Sb1 2.6395(4) 5_666 ?
Ga1 N1 1.913(3) . ?
Ga1 N2 1.924(2) . ?
Ga1 O1 2.012(2) . ?
S1 O2 1.426(3) . ?
S1 O3 1.426(3) . ?
S1 O1 1.485(2) . ?
S1 C30 1.830(4) . ?
F1 C30 1.324(5) . ?
F2 C30 1.320(5) . ?
F3 C30 1.322(4) . ?
N1 C1 1.347(4) . ?
N1 C6 1.455(4) . ?
N2 C3 1.330(4) . ?
N2 C18 1.446(4) . ?
C1 C2 1.397(4) . ?
C1 C4 1.499(4) . ?
C2 C3 1.412(5) . ?
C3 C5 1.504(4) . ?
C6 C11 1.404(4) . ?
C6 C7 1.412(4) . ?
C7 C8 1.392(5) . ?
C7 C12 1.512(4) . ?
C8 C9 1.382(5) . ?
C9 C10 1.383(5) . ?
C10 C11 1.393(5) . ?
C11 C15 1.523(5) . ?
C12 C14 1.532(5) . ?
C12 C13 1.532(5) . ?
C15 C16 1.526(6) . ?
C15 C17 1.539(6) . ?
C18 C19 1.400(4) . ?
C18 C23 1.417(4) . ?
C19 C20 1.394(5) . ?
C19 C24 1.523(4) . ?
C20 C21 1.380(5) . ?
C21 C22 1.386(5) . ?
C22 C23 1.383(5) . ?
C23 C27 1.526(5) . ?
C24 C25 1.529(6) . ?
C24 C26 1.530(5) . ?
C27 C29 1.524(5) . ?
C27 C28 1.530(5) . ?
Cl1_1 C1_1 1.752(10) . ?
Cl2_1 C1_1 1.736(10) . ?
C1_2 Cl2_2 1.730(13) . ?
C1_2 Cl1_2 1.747(13) . ?
