#------------------------------------------------------------------------------
#$Date: 2022-03-17 00:57:49 +0200 (Thu, 17 Mar 2022) $
#$Revision: 273740 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/98/7129856.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_7129856
loop_
_publ_author_name
'Lindl, Felix Dr.'
'Fantuzzi, Felipe'
'Mailänder, Lisa'
'Hörl, Christian'
'Bélanger-Chabot, Guillaume'
'Braunschweig, Holger'
_publ_section_title
;
 Azidoborolate anions and azidoborole adducts: isolable forms of an
 unstable borole azide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC00543C
_journal_year                    2022
_chemical_formula_sum            'C33 H25 B Cl0.03 N3.92'
_chemical_formula_weight         488.20
_chemical_name_common
'1-azido-2,3,4,5-tetraphenylborole pyridine adduct'
_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     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-01-20 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                76.623(3)
_cell_angle_beta                 78.356(3)
_cell_angle_gamma                64.759(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1028(4)
_cell_length_b                   10.3516(4)
_cell_length_c                   14.1317(3)
_cell_measurement_reflns_used    12460
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.9940
_cell_measurement_theta_min      3.2700
_cell_volume                     1291.55(9)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            26748
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.508
_diffrn_reflns_theta_min         3.237
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_description       prism
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.315
_exptl_crystal_size_mid          0.239
_exptl_crystal_size_min          0.181
_refine_diff_density_max         0.256
_refine_diff_density_min         -0.211
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0622P)²+0.2822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1164
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4822
_reflns_number_total             5395
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc00543c2.cif
_cod_data_source_block           3b
_cod_database_code               7129856
_shelx_shelxl_version_number     2018/3
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.788
_oxdiff_exptl_absorpt_empirical_full_max 1.210
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
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
N1 N 0.5861(2) 0.6065(2) 0.06681(15) 0.0288(4) Uani 0.972(2) 1 d . . P A 1
N2 N 0.71108(12) 0.59906(11) 0.06065(7) 0.0281(3) Uani 0.972(2) 1 d . . P A 1
N3 N 0.82880(13) 0.59182(13) 0.05190(8) 0.0375(3) Uani 0.972(2) 1 d . . P A 1
Cl1 Cl 0.601(3) 0.618(3) 0.0428(15) 0.0288(4) Uani 0.028(2) 1 d . . P A 2
C1 C 0.61031(13) 0.44889(12) 0.24000(8) 0.0260(2) Uani 1 1 d . . . . .
C4 C 0.50123(13) 0.71780(12) 0.23217(8) 0.0252(2) Uani 1 1 d . . . . .
C3 C 0.58851(12) 0.64884(12) 0.30535(8) 0.0247(2) Uani 1 1 d . . . . .
C2 C 0.65720(12) 0.48726(12) 0.30860(8) 0.0251(2) Uani 1 1 d . . . . .
B1 B 0.50979(15) 0.59616(14) 0.17455(9) 0.0263(3) Uani 1 1 d . . . . .
C1_1 C 0.67265(13) 0.30599(12) 0.20819(8) 0.0268(2) Uani 1 1 d . . . . .
C2_1 C 0.58087(14) 0.25450(13) 0.18036(8) 0.0288(2) Uani 1 1 d . . . . .
H2_1 H 0.477164 0.307745 0.188056 0.035 Uiso 1 1 calc R U . . .
C3_1 C 0.63910(15) 0.12663(13) 0.14163(9) 0.0324(3) Uani 1 1 d . . . . .
H3_1 H 0.575176 0.092750 0.123859 0.039 Uiso 1 1 calc R U . . .
C4_1 C 0.78996(16) 0.04892(14) 0.12902(9) 0.0354(3) Uani 1 1 d . . . . .
H4_1 H 0.829785 -0.037432 0.101544 0.042 Uiso 1 1 calc R U . . .
C5_1 C 0.88335(15) 0.09734(14) 0.15663(10) 0.0358(3) Uani 1 1 d . . . . .
H5_1 H 0.986933 0.043448 0.148753 0.043 Uiso 1 1 calc R U . . .
C6_1 C 0.82508(14) 0.22438(14) 0.19566(9) 0.0318(3) Uani 1 1 d . . . . .
H6_1 H 0.889661 0.256683 0.214252 0.038 Uiso 1 1 calc R U . . .
C1_2 C 0.76546(13) 0.38989(12) 0.37772(8) 0.0254(2) Uani 1 1 d . . . . .
C2_2 C 0.75741(13) 0.26053(13) 0.42964(9) 0.0292(2) Uani 1 1 d . . . . .
H2_2 H 0.684205 0.232719 0.418660 0.035 Uiso 1 1 calc R U . . .
C3_2 C 0.85511(14) 0.17225(14) 0.49705(9) 0.0343(3) Uani 1 1 d . . . . .
H3_2 H 0.847829 0.084927 0.532069 0.041 Uiso 1 1 calc R U . . .
C4_2 C 0.96304(15) 0.21035(15) 0.51367(9) 0.0354(3) Uani 1 1 d . . . . .
H4_2 H 1.028530 0.150440 0.560789 0.042 Uiso 1 1 calc R U . . .
C5_2 C 0.97507(14) 0.33663(14) 0.46110(9) 0.0330(3) Uani 1 1 d . . . . .
H5_2 H 1.050284 0.362415 0.471108 0.040 Uiso 1 1 calc R U . . .
C6_2 C 0.87694(13) 0.42532(13) 0.39380(9) 0.0286(2) Uani 1 1 d . . . . .
H6_2 H 0.885871 0.511612 0.358093 0.034 Uiso 1 1 calc R U . . .
C1_3 C 0.61858(12) 0.72010(12) 0.37359(8) 0.0259(2) Uani 1 1 d . . . . .
C2_3 C 0.59789(13) 0.68061(13) 0.47510(8) 0.0287(2) Uani 1 1 d . . . . .
H2_3 H 0.568798 0.602398 0.502204 0.034 Uiso 1 1 calc R U . . .
C3_3 C 0.61961(14) 0.75506(15) 0.53678(9) 0.0337(3) Uani 1 1 d . . . . .
H3_3 H 0.604146 0.728402 0.605798 0.040 Uiso 1 1 calc R U . . .
C4_3 C 0.66386(14) 0.86828(14) 0.49761(10) 0.0359(3) Uani 1 1 d . . . . .
H4_3 H 0.677162 0.920005 0.539843 0.043 Uiso 1 1 calc R U . . .
C5_3 C 0.68870(14) 0.90599(14) 0.39682(10) 0.0335(3) Uani 1 1 d . . . . .
H5_3 H 0.720936 0.982175 0.369993 0.040 Uiso 1 1 calc R U . . .
C6_3 C 0.66630(13) 0.83205(13) 0.33533(9) 0.0288(2) Uani 1 1 d . . . . .
H6_3 H 0.683665 0.857938 0.266374 0.035 Uiso 1 1 calc R U . . .
C1_4 C 0.40765(12) 0.87306(12) 0.20908(8) 0.0254(2) Uani 1 1 d . . . . .
C2_4 C 0.33585(14) 0.96228(14) 0.28064(8) 0.0304(3) Uani 1 1 d . . . . .
H2_4 H 0.349747 0.922675 0.347369 0.037 Uiso 1 1 calc R U . . .
C3_4 C 0.24501(14) 1.10706(14) 0.25614(9) 0.0340(3) Uani 1 1 d . . . . .
H3_4 H 0.197257 1.165055 0.306062 0.041 Uiso 1 1 calc R U . . .
C4_4 C 0.22340(14) 1.16784(13) 0.15900(9) 0.0320(3) Uani 1 1 d . . . . .
H4_4 H 0.162395 1.267385 0.142128 0.038 Uiso 1 1 calc R U . . .
C5_4 C 0.29205(14) 1.08131(14) 0.08695(9) 0.0315(3) Uani 1 1 d . . . . .
H5_4 H 0.277781 1.121757 0.020361 0.038 Uiso 1 1 calc R U . . .
C6_4 C 0.38140(14) 0.93606(13) 0.11171(8) 0.0292(2) Uani 1 1 d . . . . .
H6_4 H 0.425836 0.877865 0.061683 0.035 Uiso 1 1 calc R U . . .
C1_5 C 0.29263(13) 0.63126(13) 0.08564(8) 0.0281(2) Uani 1 1 d . . . . .
H1_5 H 0.352979 0.635112 0.024961 0.034 Uiso 1 1 calc R U . . .
N1_5 N 0.34779(11) 0.61126(10) 0.16933(7) 0.0261(2) Uani 1 1 d . . . . .
C2_5 C 0.14945(15) 0.64638(14) 0.08614(9) 0.0333(3) Uani 1 1 d . . . . .
H2_5 H 0.112225 0.659770 0.026417 0.040 Uiso 1 1 calc R U . . .
C3_5 C 0.06144(15) 0.64178(15) 0.17428(10) 0.0369(3) Uani 1 1 d . . . . .
H3_5 H -0.036720 0.651093 0.176173 0.044 Uiso 1 1 calc R U . . .
C4_5 C 0.11909(16) 0.62325(17) 0.26032(10) 0.0403(3) Uani 1 1 d . . . . .
H4_5 H 0.060194 0.621041 0.321770 0.048 Uiso 1 1 calc R U . . .
C5_5 C 0.26146(15) 0.60826(15) 0.25552(9) 0.0339(3) Uani 1 1 d . . . . .
H5_5 H 0.300563 0.595402 0.314392 0.041 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'
B B 0.0090 0.0039 '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'
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
N2 N1 B1 113.30(15) . . ?
N3 N2 N1 177.90(14) . . ?
C2 C1 C1_1 127.04(11) . . ?
C2 C1 B1 107.65(10) . . ?
C1_1 C1 B1 122.82(10) . . ?
C3 C4 C1_4 128.41(10) . . ?
C3 C4 B1 107.51(10) . . ?
C1_4 C4 B1 124.02(10) . . ?
C4 C3 C1_3 125.64(10) . . ?
C4 C3 C2 111.76(10) . . ?
C1_3 C3 C2 122.58(10) . . ?
C1 C2 C1_2 127.15(10) . . ?
C1 C2 C3 111.26(10) . . ?
C1_2 C2 C3 121.56(10) . . ?
N1 B1 N1_5 106.85(11) . . ?
N1 B1 C4 114.12(11) . . ?
N1_5 B1 C4 109.68(9) . . ?
N1 B1 C1 109.67(11) . . ?
N1_5 B1 C1 115.24(9) . . ?
C4 B1 C1 101.47(9) . . ?
N1_5 B1 Cl1 107.1(8) . . ?
C4 B1 Cl1 111.9(7) . . ?
C1 B1 Cl1 111.6(8) . . ?
C2_1 C1_1 C6_1 117.73(11) . . ?
C2_1 C1_1 C1 120.36(11) . . ?
C6_1 C1_1 C1 121.63(10) . . ?
C3_1 C2_1 C1_1 121.12(12) . . ?
C3_1 C2_1 H2_1 119.4 . . ?
C1_1 C2_1 H2_1 119.4 . . ?
C4_1 C3_1 C2_1 120.03(11) . . ?
C4_1 C3_1 H3_1 120.0 . . ?
C2_1 C3_1 H3_1 120.0 . . ?
C3_1 C4_1 C5_1 119.93(11) . . ?
C3_1 C4_1 H4_1 120.0 . . ?
C5_1 C4_1 H4_1 120.0 . . ?
C6_1 C5_1 C4_1 119.94(12) . . ?
C6_1 C5_1 H5_1 120.0 . . ?
C4_1 C5_1 H5_1 120.0 . . ?
C5_1 C6_1 C1_1 121.24(12) . . ?
C5_1 C6_1 H6_1 119.4 . . ?
C1_1 C6_1 H6_1 119.4 . . ?
C6_2 C1_2 C2_2 118.04(11) . . ?
C6_2 C1_2 C2 121.21(10) . . ?
C2_2 C1_2 C2 120.75(10) . . ?
C3_2 C2_2 C1_2 120.74(11) . . ?
C3_2 C2_2 H2_2 119.6 . . ?
C1_2 C2_2 H2_2 119.6 . . ?
C4_2 C3_2 C2_2 120.53(12) . . ?
C4_2 C3_2 H3_2 119.7 . . ?
C2_2 C3_2 H3_2 119.7 . . ?
C3_2 C4_2 C5_2 119.58(12) . . ?
C3_2 C4_2 H4_2 120.2 . . ?
C5_2 C4_2 H4_2 120.2 . . ?
C4_2 C5_2 C6_2 119.90(12) . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 C1_2 121.18(11) . . ?
C5_2 C6_2 H6_2 119.4 . . ?
C1_2 C6_2 H6_2 119.4 . . ?
C2_3 C1_3 C6_3 118.81(10) . . ?
C2_3 C1_3 C3 122.06(10) . . ?
C6_3 C1_3 C3 119.11(10) . . ?
C3_3 C2_3 C1_3 120.40(11) . . ?
C3_3 C2_3 H2_3 119.8 . . ?
C1_3 C2_3 H2_3 119.8 . . ?
C4_3 C3_3 C2_3 120.07(11) . . ?
C4_3 C3_3 H3_3 120.0 . . ?
C2_3 C3_3 H3_3 120.0 . . ?
C5_3 C4_3 C3_3 120.07(11) . . ?
C5_3 C4_3 H4_3 120.0 . . ?
C3_3 C4_3 H4_3 120.0 . . ?
C4_3 C5_3 C6_3 119.79(12) . . ?
C4_3 C5_3 H5_3 120.1 . . ?
C6_3 C5_3 H5_3 120.1 . . ?
C5_3 C6_3 C1_3 120.81(11) . . ?
C5_3 C6_3 H6_3 119.6 . . ?
C1_3 C6_3 H6_3 119.6 . . ?
C2_4 C1_4 C6_4 117.09(11) . . ?
C2_4 C1_4 C4 123.23(10) . . ?
C6_4 C1_4 C4 119.61(10) . . ?
C3_4 C2_4 C1_4 121.45(11) . . ?
C3_4 C2_4 H2_4 119.3 . . ?
C1_4 C2_4 H2_4 119.3 . . ?
C2_4 C3_4 C4_4 120.42(11) . . ?
C2_4 C3_4 H3_4 119.8 . . ?
C4_4 C3_4 H3_4 119.8 . . ?
C5_4 C4_4 C3_4 119.19(11) . . ?
C5_4 C4_4 H4_4 120.4 . . ?
C3_4 C4_4 H4_4 120.4 . . ?
C6_4 C5_4 C4_4 120.32(11) . . ?
C6_4 C5_4 H5_4 119.8 . . ?
C4_4 C5_4 H5_4 119.8 . . ?
C5_4 C6_4 C1_4 121.50(11) . . ?
C5_4 C6_4 H6_4 119.2 . . ?
C1_4 C6_4 H6_4 119.2 . . ?
N1_5 C1_5 C2_5 121.29(11) . . ?
N1_5 C1_5 H1_5 119.4 . . ?
C2_5 C1_5 H1_5 119.4 . . ?
C1_5 N1_5 C5_5 119.47(11) . . ?
C1_5 N1_5 B1 124.20(10) . . ?
C5_5 N1_5 B1 116.29(9) . . ?
C3_5 C2_5 C1_5 119.35(11) . . ?
C3_5 C2_5 H2_5 120.3 . . ?
C1_5 C2_5 H2_5 120.3 . . ?
C2_5 C3_5 C4_5 118.82(12) . . ?
C2_5 C3_5 H3_5 120.6 . . ?
C4_5 C3_5 H3_5 120.6 . . ?
C5_5 C4_5 C3_5 119.34(12) . . ?
C5_5 C4_5 H4_5 120.3 . . ?
C3_5 C4_5 H4_5 120.3 . . ?
N1_5 C5_5 C4_5 121.73(11) . . ?
N1_5 C5_5 H5_5 119.1 . . ?
C4_5 C5_5 H5_5 119.1 . . ?
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
N1 N2 1.218(2) . ?
N1 B1 1.564(2) . ?
N2 N3 1.1419(16) . ?
Cl1 B1 1.91(2) . ?
C1 C2 1.3586(16) . ?
C1 C1_1 1.4784(15) . ?
C1 B1 1.6178(17) . ?
C4 C3 1.3588(16) . ?
C4 C1_4 1.4729(16) . ?
C4 B1 1.6153(16) . ?
C3 C1_3 1.4849(15) . ?
C3 C2 1.5062(15) . ?
C2 C1_2 1.4838(16) . ?
B1 N1_5 1.5917(16) . ?
C1_1 C2_1 1.4015(16) . ?
C1_1 C6_1 1.4022(18) . ?
C2_1 C3_1 1.3925(17) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.383(2) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.3914(19) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.3873(17) . ?
C5_1 H5_1 0.9500 . ?
C6_1 H6_1 0.9500 . ?
C1_2 C6_2 1.3960(16) . ?
C1_2 C2_2 1.3973(16) . ?
C2_2 C3_2 1.3871(18) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.3830(19) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.3875(19) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.3894(17) . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C1_3 C2_3 1.3961(16) . ?
C1_3 C6_3 1.3961(17) . ?
C2_3 C3_3 1.3909(17) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.388(2) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.388(2) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.3882(17) . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
C1_4 C2_4 1.4024(16) . ?
C1_4 C6_4 1.4048(16) . ?
C2_4 C3_4 1.3868(18) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.3900(18) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.3883(18) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.3873(18) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C1_5 N1_5 1.3440(15) . ?
C1_5 C2_5 1.3857(18) . ?
C1_5 H1_5 0.9500 . ?
N1_5 C5_5 1.3498(16) . ?
C2_5 C3_5 1.3806(19) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.3918(19) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.3684(19) . ?
C4_5 H4_5 0.9500 . ?
C5_5 H5_5 0.9500 . ?
