#------------------------------------------------------------------------------
#$Date: 2022-03-04 01:12:45 +0200 (Fri, 04 Mar 2022) $
#$Revision: 273286 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/65/1566536.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_1566536
loop_
_publ_author_name
'Weinert, Hanns Micha'
'Wölper, Christoph'
'Schulz, Stephan'
_publ_section_title
;
 Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions
 of Distibenes with Diazomethanes and Azides
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC00314G
_journal_year                    2022
_chemical_formula_sum            'C84 H108 Ga2 N6 Sb4'
_chemical_formula_weight         1828.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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
;
2021-12-16 deposited with the CCDC.	2022-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                86.028(5)
_cell_angle_beta                 75.849(4)
_cell_angle_gamma                74.786(2)
_cell_formula_units_Z            1
_cell_length_a                   12.0886(4)
_cell_length_b                   12.3645(4)
_cell_length_c                   14.1831(9)
_cell_measurement_reflns_used    9683
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      79.77
_cell_measurement_theta_min      3.21
_cell_volume                     1983.54(16)
_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 0.999
_diffrn_measured_fraction_theta_max 0.988
_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  0.0499
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            109962
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         80.427
_diffrn_reflns_theta_min         3.213
_diffrn_source                   'micro-focus sealed tube'
_diffrn_source_type              'INCOATEC I\mS 3.0'
_exptl_absorpt_coefficient_mu    11.749
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.42
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_description       tablet
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.079
_exptl_crystal_size_min          0.048
_refine_diff_density_max         1.578
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         8602
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0382P)²+1.5381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0627
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8438
_reflns_number_total             8602
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc00314g2.cif
_cod_data_source_block           mw_130_1m
_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 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        1983.53(16)
_cod_database_code               1566536
_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   0.169
_shelx_estimated_absorpt_t_max   0.602
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_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 0.63285(2) 0.58202(2) 0.93503(2) 0.01636(4) Uani 1 1 d . . . . .
Sb2 Sb 0.61353(2) 0.39173(2) 1.05661(2) 0.01667(4) Uani 1 1 d . . . . .
Ga1 Ga 0.71921(2) 0.40384(2) 0.82443(2) 0.01189(6) Uani 1 1 d . . . . .
N1 N 0.67404(14) 0.39049(14) 0.70269(11) 0.0150(3) Uani 1 1 d . . . . .
N2 N 0.89003(13) 0.36561(13) 0.76509(11) 0.0131(3) Uani 1 1 d . . . . .
N3 N 0.67884(14) 0.30324(13) 0.92662(11) 0.0160(3) Uani 1 1 d . . . . .
C1 C 0.74969(17) 0.33424(16) 0.62594(13) 0.0167(4) Uani 1 1 d . . . . .
C2 C 0.86973(17) 0.28899(16) 0.62076(13) 0.0167(4) Uani 1 1 d . . . . .
H2 H 0.910933 0.238068 0.569087 0.020 Uiso 1 1 calc R U . . .
C3 C 0.93716(16) 0.30908(15) 0.68204(13) 0.0152(3) Uani 1 1 d . . . . .
C4 C 0.70545(19) 0.3192(2) 0.53841(14) 0.0234(4) Uani 1 1 d . . . . .
H4A H 0.771661 0.304088 0.481114 0.035 Uiso 1 1 calc R U . . .
H4B H 0.647043 0.387595 0.527459 0.035 Uiso 1 1 calc R U . . .
H4C H 0.668869 0.256001 0.549734 0.035 Uiso 1 1 calc R U . . .
C5 C 1.06891(17) 0.26382(18) 0.64869(14) 0.0209(4) Uani 1 1 d . . . . .
H5A H 1.090004 0.249013 0.578720 0.031 Uiso 1 1 calc R U . . .
H5B H 1.093962 0.194044 0.683756 0.031 Uiso 1 1 calc R U . . .
H5C H 1.108370 0.318981 0.661934 0.031 Uiso 1 1 calc R U . . .
C6 C 0.55427(17) 0.44330(17) 0.69649(13) 0.0160(4) Uani 1 1 d . . . . .
C7 C 0.47092(18) 0.37975(17) 0.71073(13) 0.0180(4) Uani 1 1 d . . . . .
C8 C 0.35548(18) 0.43537(19) 0.70600(14) 0.0224(4) Uani 1 1 d . . . . .
H8 H 0.297011 0.394476 0.716854 0.027 Uiso 1 1 calc R U . . .
C9 C 0.32532(18) 0.5487(2) 0.68583(15) 0.0239(4) Uani 1 1 d . . . . .
H9 H 0.246559 0.584843 0.682749 0.029 Uiso 1 1 calc R U . . .
C10 C 0.40889(18) 0.60991(18) 0.67006(14) 0.0213(4) Uani 1 1 d . . . . .
H10 H 0.387170 0.687538 0.654997 0.026 Uiso 1 1 calc R U . . .
C11 C 0.52482(18) 0.55929(17) 0.67595(13) 0.0180(4) Uani 1 1 d . . . . .
C12 C 0.50053(18) 0.25432(17) 0.73157(14) 0.0198(4) Uani 1 1 d . . . . .
H12 H 0.588109 0.227052 0.721425 0.024 Uiso 1 1 calc R U . . .
C13 C 0.4615(2) 0.1884(2) 0.66319(18) 0.0306(5) Uani 1 1 d . . . . .
H13A H 0.496028 0.205223 0.595520 0.046 Uiso 1 1 calc R U . . .
H13B H 0.375289 0.210158 0.674908 0.046 Uiso 1 1 calc R U . . .
H13C H 0.488280 0.107958 0.675535 0.046 Uiso 1 1 calc R U . . .
C14 C 0.4449(2) 0.2306(2) 0.83732(16) 0.0266(4) Uani 1 1 d . . . . .
H14A H 0.358783 0.253076 0.848176 0.040 Uiso 1 1 calc R U . . .
H14B H 0.469654 0.273191 0.880565 0.040 Uiso 1 1 calc R U . . .
H14C H 0.470599 0.150316 0.850996 0.040 Uiso 1 1 calc R U . . .
C15 C 0.61544(19) 0.62797(18) 0.65789(15) 0.0220(4) Uani 1 1 d . . . . .
H15 H 0.673788 0.593434 0.697604 0.026 Uiso 1 1 calc R U . . .
C16 C 0.6833(2) 0.6232(2) 0.55196(19) 0.0372(6) Uani 1 1 d . . . . .
H16A H 0.627741 0.647713 0.510062 0.056 Uiso 1 1 calc R U . . .
H16B H 0.729302 0.546112 0.535568 0.056 Uiso 1 1 calc R U . . .
H16C H 0.736703 0.672626 0.542085 0.056 Uiso 1 1 calc R U . . .
C17 C 0.5624(2) 0.7501(2) 0.69023(19) 0.0328(5) Uani 1 1 d . . . . .
H17A H 0.625989 0.785722 0.689841 0.049 Uiso 1 1 calc R U . . .
H17B H 0.512022 0.752454 0.756090 0.049 Uiso 1 1 calc R U . . .
H17C H 0.515190 0.790307 0.645454 0.049 Uiso 1 1 calc R U . . .
C18 C 0.96665(16) 0.40079(16) 0.81426(13) 0.0148(3) Uani 1 1 d . . . . .
C19 C 1.02258(17) 0.32846(16) 0.87885(13) 0.0172(4) Uani 1 1 d . . . . .
C20 C 1.09674(18) 0.36718(18) 0.92274(14) 0.0208(4) Uani 1 1 d . . . . .
H20 H 1.136463 0.319228 0.965979 0.025 Uiso 1 1 calc R U . . .
C21 C 1.11329(18) 0.47356(19) 0.90445(15) 0.0228(4) Uani 1 1 d . . . . .
H21 H 1.164136 0.498180 0.934861 0.027 Uiso 1 1 calc R U . . .
C22 C 1.05575(18) 0.54445(18) 0.84175(14) 0.0206(4) Uani 1 1 d . . . . .
H22 H 1.066832 0.617925 0.830245 0.025 Uiso 1 1 calc R U . . .
C23 C 0.98209(16) 0.51004(16) 0.79533(13) 0.0161(4) Uani 1 1 d . . . . .
C24 C 1.0074(2) 0.21072(17) 0.90212(15) 0.0225(4) Uani 1 1 d . . . . .
H24 H 0.956277 0.195176 0.861589 0.027 Uiso 1 1 calc R U . . .
C25 C 1.1262(2) 0.1229(2) 0.87820(18) 0.0338(5) Uani 1 1 d . . . . .
H25A H 1.164228 0.128621 0.809241 0.051 Uiso 1 1 calc R U . . .
H25B H 1.113359 0.047815 0.891995 0.051 Uiso 1 1 calc R U . . .
H25C H 1.177065 0.136186 0.918092 0.051 Uiso 1 1 calc R U . . .
C26 C 0.9472(2) 0.1992(2) 1.00980(16) 0.0282(5) Uani 1 1 d . . . . .
H26A H 0.872618 0.257075 1.026225 0.042 Uiso 1 1 calc R U . . .
H26B H 0.998994 0.208234 1.050488 0.042 Uiso 1 1 calc R U . . .
H26C H 0.931513 0.124966 1.021339 0.042 Uiso 1 1 calc R U . . .
C27 C 0.92408(18) 0.58694(17) 0.72288(15) 0.0204(4) Uani 1 1 d . . . . .
H27 H 0.849931 0.565545 0.722576 0.024 Uiso 1 1 calc R U . . .
C28 C 1.0017(2) 0.5706(2) 0.61974(16) 0.0325(5) Uani 1 1 d . . . . .
H28A H 0.961155 0.620185 0.574950 0.049 Uiso 1 1 calc R U . . .
H28B H 1.017220 0.492464 0.600285 0.049 Uiso 1 1 calc R U . . .
H28C H 1.076495 0.588550 0.617779 0.049 Uiso 1 1 calc R U . . .
C29 C 0.8892(3) 0.7103(2) 0.7509(2) 0.0394(6) Uani 1 1 d . . . . .
H29A H 0.960488 0.736825 0.743892 0.059 Uiso 1 1 calc R U . . .
H29B H 0.843783 0.719069 0.818621 0.059 Uiso 1 1 calc R U . . .
H29C H 0.841095 0.754349 0.708332 0.059 Uiso 1 1 calc R U . . .
C30 C 0.68976(17) 0.18893(17) 0.92311(14) 0.0179(4) Uani 1 1 d . . . . .
C31 C 0.75234(18) 0.12729(17) 0.83832(15) 0.0205(4) Uani 1 1 d . . . . .
H31 H 0.791385 0.163633 0.784073 0.025 Uiso 1 1 calc R U . . .
C32 C 0.7580(2) 0.01415(19) 0.83253(18) 0.0289(5) Uani 1 1 d . . . . .
H32 H 0.800581 -0.025621 0.774391 0.035 Uiso 1 1 calc R U . . .
C33 C 0.7022(2) -0.04157(19) 0.9107(2) 0.0340(5) Uani 1 1 d . . . . .
H33 H 0.705245 -0.118636 0.906222 0.041 Uiso 1 1 calc R U . . .
C34 C 0.6424(2) 0.0174(2) 0.99507(19) 0.0312(5) Uani 1 1 d . . . . .
H34 H 0.604569 -0.019982 1.049254 0.037 Uiso 1 1 calc R U . . .
C35 C 0.63643(19) 0.12990(18) 1.00202(16) 0.0243(4) Uani 1 1 d . . . . .
H35 H 0.595556 0.168109 1.061243 0.029 Uiso 1 1 calc R U . . .
C1_1 C 0.8053(2) 0.0699(2) 0.3574(2) 0.0379(6) Uani 1 1 d . . . . .
C2_1 C 0.7094(2) 0.0226(2) 0.3790(2) 0.0360(5) Uani 1 1 d . . . . .
H2_1 H 0.665431 0.024250 0.331602 0.043 Uiso 1 1 calc R U . . .
C3_1 C 0.6771(2) -0.0270(2) 0.4689(2) 0.0407(6) Uani 1 1 d . . . . .
H3_1 H 0.612383 -0.060237 0.482226 0.049 Uiso 1 1 calc R U . . .
C4_1 C 0.7390(3) -0.0279(2) 0.5389(2) 0.0443(6) Uani 1 1 d . . . . .
H4_1 H 0.716212 -0.060234 0.600980 0.053 Uiso 1 1 calc R U . . .
C5_1 C 0.8343(3) 0.0186(3) 0.5179(3) 0.0510(7) Uani 1 1 d . . . . .
H5_1 H 0.877437 0.018141 0.565688 0.061 Uiso 1 1 calc R U . . .
C6_1 C 0.8673(3) 0.0657(2) 0.4277(2) 0.0457(7) Uani 1 1 d . . . . .
H6_1 H 0.934135 0.095990 0.413866 0.055 Uiso 1 1 calc R U . . .
C7_1 C 0.8403(3) 0.1247(3) 0.2614(2) 0.0524(8) Uani 1 1 d . . . . .
H7A_1 H 0.920500 0.084933 0.228262 0.079 Uiso 1 1 calc R U . . .
H7B_1 H 0.837967 0.202892 0.271598 0.079 Uiso 1 1 calc R U . . .
H7C_1 H 0.785547 0.122059 0.221322 0.079 Uiso 1 1 calc R U . . .
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'
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'
Sb Sb -0.0562 5.8946 '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 Sb2 72.465(7) . . ?
Ga1 Sb1 Sb2 98.214(7) . 2_667 ?
Sb2 Sb1 Sb2 85.018(6) . 2_667 ?
N3 Sb2 Sb1 84.17(4) . . ?
N3 Sb2 Sb1 96.58(5) . 2_667 ?
Sb1 Sb2 Sb1 94.982(6) . 2_667 ?
N3 Ga1 N1 116.89(7) . . ?
N3 Ga1 N2 111.87(7) . . ?
N1 Ga1 N2 94.61(6) . . ?
N3 Ga1 Sb1 94.25(5) . . ?
N1 Ga1 Sb1 123.26(5) . . ?
N2 Ga1 Sb1 117.24(5) . . ?
C1 N1 C6 119.12(15) . . ?
C1 N1 Ga1 122.47(13) . . ?
C6 N1 Ga1 118.41(12) . . ?
C3 N2 C18 119.14(15) . . ?
C3 N2 Ga1 122.59(13) . . ?
C18 N2 Ga1 118.27(12) . . ?
C30 N3 Ga1 129.42(13) . . ?
C30 N3 Sb2 121.90(12) . . ?
Ga1 N3 Sb2 108.66(8) . . ?
N1 C1 C2 123.82(17) . . ?
N1 C1 C4 119.20(18) . . ?
C2 C1 C4 116.97(17) . . ?
C1 C2 C3 128.31(17) . . ?
N2 C3 C2 123.14(17) . . ?
N2 C3 C5 120.61(17) . . ?
C2 C3 C5 116.25(16) . . ?
C7 C6 C11 121.77(18) . . ?
C7 C6 N1 120.15(17) . . ?
C11 C6 N1 118.08(17) . . ?
C8 C7 C6 117.90(19) . . ?
C8 C7 C12 119.16(18) . . ?
C6 C7 C12 122.93(18) . . ?
C9 C8 C7 121.0(2) . . ?
C8 C9 C10 120.48(19) . . ?
C9 C10 C11 121.0(2) . . ?
C10 C11 C6 117.83(19) . . ?
C10 C11 C15 120.13(18) . . ?
C6 C11 C15 122.02(18) . . ?
C7 C12 C14 110.60(17) . . ?
C7 C12 C13 112.40(17) . . ?
C14 C12 C13 109.83(18) . . ?
C11 C15 C16 111.79(19) . . ?
C11 C15 C17 113.21(18) . . ?
C16 C15 C17 110.09(19) . . ?
C19 C18 C23 121.44(17) . . ?
C19 C18 N2 120.85(17) . . ?
C23 C18 N2 117.71(16) . . ?
C20 C19 C18 117.88(18) . . ?
C20 C19 C24 118.96(18) . . ?
C18 C19 C24 123.15(17) . . ?
C21 C20 C19 121.32(19) . . ?
C20 C21 C22 119.97(19) . . ?
C21 C22 C23 121.19(19) . . ?
C22 C23 C18 118.18(18) . . ?
C22 C23 C27 120.56(17) . . ?
C18 C23 C27 121.21(17) . . ?
C19 C24 C25 111.36(19) . . ?
C19 C24 C26 111.23(17) . . ?
C25 C24 C26 109.06(18) . . ?
C23 C27 C29 112.96(18) . . ?
C23 C27 C28 111.64(17) . . ?
C29 C27 C28 110.25(19) . . ?
N3 C30 C31 120.89(17) . . ?
N3 C30 C35 122.21(18) . . ?
C31 C30 C35 116.86(19) . . ?
C32 C31 C30 121.14(19) . . ?
C33 C32 C31 120.8(2) . . ?
C34 C33 C32 118.6(2) . . ?
C33 C34 C35 121.1(2) . . ?
C34 C35 C30 121.3(2) . . ?
C6_1 C1_1 C2_1 118.0(3) . . ?
C6_1 C1_1 C7_1 120.4(3) . . ?
C2_1 C1_1 C7_1 121.5(3) . . ?
C3_1 C2_1 C1_1 120.9(3) . . ?
C4_1 C3_1 C2_1 119.9(3) . . ?
C3_1 C4_1 C5_1 119.4(3) . . ?
C6_1 C5_1 C4_1 120.3(3) . . ?
C1_1 C6_1 C5_1 121.4(3) . . ?
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 2.6221(3) . ?
Sb1 Sb2 2.8449(2) . ?
Sb1 Sb2 2.8837(2) 2_667 ?
Sb2 N3 2.0818(16) . ?
Ga1 N3 1.8998(16) . ?
Ga1 N1 1.9632(16) . ?
Ga1 N2 1.9720(16) . ?
N1 C1 1.338(2) . ?
N1 C6 1.445(2) . ?
N2 C3 1.333(2) . ?
N2 C18 1.450(2) . ?
N3 C30 1.388(3) . ?
C1 C2 1.397(3) . ?
C1 C4 1.507(3) . ?
C2 C3 1.401(3) . ?
C3 C5 1.508(3) . ?
C6 C7 1.403(3) . ?
C6 C11 1.412(3) . ?
C7 C8 1.400(3) . ?
C7 C12 1.522(3) . ?
C8 C9 1.380(3) . ?
C9 C10 1.383(3) . ?
C10 C11 1.397(3) . ?
C11 C15 1.519(3) . ?
C12 C14 1.529(3) . ?
C12 C13 1.537(3) . ?
C15 C16 1.523(3) . ?
C15 C17 1.532(3) . ?
C18 C19 1.403(3) . ?
C18 C23 1.410(3) . ?
C19 C20 1.400(3) . ?
C19 C24 1.519(3) . ?
C20 C21 1.380(3) . ?
C21 C22 1.385(3) . ?
C22 C23 1.390(3) . ?
C23 C27 1.523(3) . ?
C24 C25 1.534(3) . ?
C24 C26 1.537(3) . ?
C27 C29 1.526(3) . ?
C27 C28 1.527(3) . ?
C30 C31 1.407(3) . ?
C30 C35 1.408(3) . ?
C31 C32 1.390(3) . ?
C32 C33 1.390(3) . ?
C33 C34 1.381(4) . ?
C34 C35 1.383(3) . ?
C1_1 C6_1 1.377(4) . ?
C1_1 C2_1 1.392(4) . ?
C1_1 C7_1 1.495(4) . ?
C2_1 C3_1 1.388(4) . ?
C3_1 C4_1 1.379(4) . ?
C4_1 C5_1 1.379(5) . ?
C5_1 C6_1 1.379(5) . ?
