#------------------------------------------------------------------------------
#$Date: 2022-05-13 01:18:39 +0300 (Fri, 13 May 2022) $
#$Revision: 275380 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/69/1566965.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_1566965
loop_
_publ_author_name
'Weberg, Alexander B.'
'Schelter, Eric J.'
'Carroll, Patrick'
'Gau, Michael'
'Pandey, Pragati'
'Lapsheva, Ekaterina'
'Schatz, George C.'
'Cheisson, Thibault'
'Chaudhuri, Subhajyoti'
'Uruburo, Christian'
_publ_section_title
;
 Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding
 Towards Improving Ta/Nb Separations
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC01926D
_journal_year                    2022
_chemical_formula_moiety         'C37 H54 N5 Nb O3'
_chemical_formula_sum            'C37 H54 N5 Nb O3'
_chemical_formula_weight         709.76
_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
_audit_creation_date             2022-01-25
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-02-22 deposited with the CCDC.	2022-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                91.221(2)
_cell_angle_beta                 90.452(2)
_cell_angle_gamma                114.460(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1700(4)
_cell_length_b                   12.0740(5)
_cell_length_c                   15.7696(6)
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.57
_cell_volume                     1761.90(12)
_computing_cell_refinement       'Bruker SAINT v8.37A'
_computing_data_collection       'Bruker APEX3 v2018.7-2'
_computing_data_reduction        'Bruker SAINT v8.37A'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'CMOS area detector'
_diffrn_measurement_device_type  'Bruker D8QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1081
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            64323
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.554
_diffrn_reflns_theta_min         3.140
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.384
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_description       plank
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.990
_refine_diff_density_rms         0.137
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         8133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0632
_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)+(0.0480P)²+12.3674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1563
_refine_ls_wR_factor_ref         0.1634
_reflns_number_gt                6853
_reflns_number_total             8133
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc01926d2.cif
_cod_data_source_block           40154
_cod_database_code               1566965
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.989
_shelx_estimated_absorpt_t_min   0.963
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
Nb1 Nb 0.29577(4) 0.59229(3) 0.24791(2) 0.00971(11) Uani 1 1 d . . . . .
O1 O 0.4117(3) 0.5503(3) 0.3332(2) 0.0165(6) Uani 1 1 d . . . . .
O2 O 0.3282(4) 0.5790(3) 0.1248(2) 0.0176(7) Uani 1 1 d . . . . .
O3 O 0.1662(3) 0.6696(3) 0.2837(2) 0.0177(7) Uani 1 1 d . . . . .
N1 N 0.5522(4) 0.6321(3) 0.3042(2) 0.0152(7) Uani 1 1 d . . . . .
N2 N 0.3794(4) 0.7075(3) 0.1066(2) 0.0153(7) Uani 1 1 d . . . . .
N3 N 0.2755(4) 0.7706(3) 0.3309(2) 0.0155(7) Uani 1 1 d . . . . .
N4 N 0.5944(4) 0.8967(3) 0.2485(2) 0.0108(7) Uani 1 1 d . . . . .
N5 N 0.1563(4) 0.4460(3) 0.2491(2) 0.0122(7) Uani 1 1 d . . . . .
C1 C 0.7298(4) 0.8914(4) 0.2755(3) 0.0153(8) Uani 1 1 d . . . . .
H1a H 0.808191 0.974535 0.277446 0.020 Uiso 1 1 calc R . . . .
H1b H 0.755934 0.841922 0.233602 0.020 Uiso 1 1 calc R . . . .
C2 C 0.7161(5) 0.8365(4) 0.3615(3) 0.0160(9) Uani 1 1 d . . . . .
C3 C 0.7890(5) 0.9101(4) 0.4314(3) 0.0188(9) Uani 1 1 d . . . . .
H3 H 0.854099 0.992033 0.422413 0.025 Uiso 1 1 calc R . . . .
C4 C 0.7697(6) 0.8678(5) 0.5128(3) 0.0266(11) Uani 1 1 d . . . . .
H4 H 0.823211 0.919034 0.558913 0.035 Uiso 1 1 calc R . . . .
C5 C 0.6714(6) 0.7500(5) 0.5267(3) 0.0256(11) Uani 1 1 d . . . . .
H5 H 0.654594 0.720882 0.582801 0.034 Uiso 1 1 calc R . . . .
C6 C 0.5972(5) 0.6740(4) 0.4589(3) 0.0202(9) Uani 1 1 d . . . . .
H6 H 0.527877 0.593771 0.468829 0.027 Uiso 1 1 calc R . . . .
C7 C 0.6243(5) 0.7153(4) 0.3758(3) 0.0154(9) Uani 1 1 d . . . . .
C8 C 0.6284(5) 0.5523(4) 0.2768(3) 0.0188(9) Uani 1 1 d . . . . .
C9 C 0.5343(5) 0.4599(4) 0.2107(3) 0.0231(10) Uani 1 1 d . . . . .
H9a H 0.446961 0.401869 0.237349 0.035 Uiso 1 1 calc GR . . . .
H9b H 0.588031 0.416230 0.186050 0.035 Uiso 1 1 calc GR . . . .
H9c H 0.507245 0.501942 0.165892 0.035 Uiso 1 1 calc GR . . . .
C10 C 0.6565(6) 0.4850(5) 0.3519(3) 0.0251(11) Uani 1 1 d . . . . .
H10a H 0.567375 0.445433 0.383751 0.038 Uiso 1 1 calc GR . . . .
H10b H 0.731939 0.543348 0.389293 0.038 Uiso 1 1 calc GR . . . .
H10c H 0.688013 0.423306 0.330458 0.038 Uiso 1 1 calc GR . . . .
C11 C 0.7725(5) 0.6332(4) 0.2381(3) 0.0231(10) Uani 1 1 d . . . . .
H11a H 0.826528 0.584431 0.224417 0.035 Uiso 1 1 calc GR . . . .
H11b H 0.828680 0.698579 0.278848 0.035 Uiso 1 1 calc GR . . . .
H11c H 0.754858 0.668681 0.186271 0.035 Uiso 1 1 calc GR . . . .
C12 C 0.6077(5) 0.9432(4) 0.1621(3) 0.0156(9) Uani 1 1 d . . . . .
H12a H 0.688961 1.024761 0.160845 0.021 Uiso 1 1 calc R . . . .
H12b H 0.518141 0.951942 0.146115 0.021 Uiso 1 1 calc R . . . .
C13 C 0.6333(5) 0.8592(4) 0.0985(3) 0.0151(8) Uani 1 1 d . . . . .
C14 C 0.7719(5) 0.8921(4) 0.0658(3) 0.0170(9) Uani 1 1 d . . . . .
H14 H 0.845314 0.970234 0.080011 0.023 Uiso 1 1 calc R . . . .
C15 C 0.8045(5) 0.8146(5) 0.0139(3) 0.0224(10) Uani 1 1 d . . . . .
H15 H 0.899178 0.839413 -0.007601 0.030 Uiso 1 1 calc R . . . .
C16 C 0.6985(5) 0.6995(4) -0.0073(3) 0.0209(10) Uani 1 1 d . . . . .
H16 H 0.720117 0.644886 -0.042784 0.028 Uiso 1 1 calc R . . . .
C17 C 0.5612(5) 0.6660(4) 0.0244(3) 0.0183(9) Uani 1 1 d . . . . .
H17 H 0.488992 0.587088 0.010937 0.024 Uiso 1 1 calc R . . . .
C18 C 0.5261(5) 0.7452(4) 0.0756(3) 0.0156(9) Uani 1 1 d . . . . .
C19 C 0.2730(5) 0.7176(4) 0.0424(3) 0.0182(9) Uani 1 1 d . . . . .
C20 C 0.1229(5) 0.6637(5) 0.0800(3) 0.0243(10) Uani 1 1 d . . . . .
H20a H 0.089980 0.575399 0.084175 0.036 Uiso 1 1 calc GR . . . .
H20b H 0.055855 0.681116 0.043419 0.036 Uiso 1 1 calc GR . . . .
H20c H 0.126198 0.699794 0.136677 0.036 Uiso 1 1 calc GR . . . .
C21 C 0.2718(6) 0.6518(5) -0.0419(3) 0.0277(11) Uani 1 1 d . . . . .
H21a H 0.365585 0.692325 -0.069048 0.042 Uiso 1 1 calc GR . . . .
H21b H 0.195507 0.653886 -0.079322 0.042 Uiso 1 1 calc GR . . . .
H21c H 0.253612 0.566988 -0.031410 0.042 Uiso 1 1 calc GR . . . .
C22 C 0.3177(5) 0.8531(5) 0.0276(3) 0.0246(10) Uani 1 1 d . . . . .
H22a H 0.309058 0.893383 0.080559 0.037 Uiso 1 1 calc GR . . . .
H22b H 0.254563 0.862760 -0.016117 0.037 Uiso 1 1 calc GR . . . .
H22c H 0.418034 0.889872 0.008974 0.037 Uiso 1 1 calc GR . . . .
C23 C 0.5588(5) 0.9754(4) 0.3081(3) 0.0163(9) Uani 1 1 d . . . . .
H23a H 0.637171 1.058546 0.308509 0.022 Uiso 1 1 calc R . . . .
H23b H 0.552291 0.943800 0.366079 0.022 Uiso 1 1 calc R . . . .
C24 C 0.4180(5) 0.9810(4) 0.2843(3) 0.0163(9) Uani 1 1 d . . . . .
C25 C 0.4214(5) 1.0871(4) 0.2488(3) 0.0193(9) Uani 1 1 d . . . . .
H25 H 0.511010 1.156249 0.245589 0.026 Uiso 1 1 calc R . . . .
C26 C 0.2964(6) 1.0938(5) 0.2182(4) 0.0266(11) Uani 1 1 d . . . . .
H26 H 0.300243 1.166742 0.194420 0.035 Uiso 1 1 calc R . . . .
C27 C 0.1669(6) 0.9929(5) 0.2228(4) 0.0272(11) Uani 1 1 d . . . . .
H27 H 0.081174 0.996282 0.201210 0.036 Uiso 1 1 calc R . . . .
C28 C 0.1599(5) 0.8882(4) 0.2580(3) 0.0199(9) Uani 1 1 d . . . . .
H28 H 0.069856 0.819318 0.259869 0.026 Uiso 1 1 calc R . . . .
C29 C 0.2850(5) 0.8818(4) 0.2914(3) 0.0160(9) Uani 1 1 d . . . . .
C30 C 0.2275(5) 0.7591(4) 0.4232(3) 0.0183(9) Uani 1 1 d . . . . .
C31 C 0.2092(6) 0.6351(5) 0.4537(3) 0.0239(10) Uani 1 1 d . . . . .
H31a H 0.294930 0.621369 0.439358 0.036 Uiso 1 1 calc GR . . . .
H31b H 0.123669 0.571773 0.426107 0.036 Uiso 1 1 calc GR . . . .
H31c H 0.197244 0.632330 0.515339 0.036 Uiso 1 1 calc GR . . . .
C32 C 0.0827(5) 0.7706(5) 0.4327(3) 0.0259(11) Uani 1 1 d . . . . .
H32a H 0.049522 0.752921 0.491089 0.039 Uiso 1 1 calc GR . . . .
H32b H 0.010511 0.712510 0.393516 0.039 Uiso 1 1 calc GR . . . .
H32c H 0.096079 0.853479 0.419569 0.039 Uiso 1 1 calc GR . . . .
C33 C 0.3434(5) 0.8574(5) 0.4756(3) 0.0234(10) Uani 1 1 d . . . . .
H33a H 0.433165 0.845902 0.472800 0.035 Uiso 1 1 calc GR . . . .
H33b H 0.312879 0.853248 0.534664 0.035 Uiso 1 1 calc GR . . . .
H33c H 0.359633 0.937195 0.453411 0.035 Uiso 1 1 calc GR . . . .
C34 C 0.0384(4) 0.3279(4) 0.2547(3) 0.0124(8) Uani 1 1 d . . . . .
C35 C 0.0215(5) 0.2575(4) 0.1703(3) 0.0218(10) Uani 1 1 d . . . . .
H35a H 0.006396 0.304252 0.124162 0.033 Uiso 1 1 calc GR . . . .
H35b H -0.061724 0.178566 0.172901 0.033 Uiso 1 1 calc GR . . . .
H35c H 0.109118 0.244591 0.160012 0.033 Uiso 1 1 calc GR . . . .
C36 C 0.0707(6) 0.2602(5) 0.3263(3) 0.0266(11) Uani 1 1 d . . . . .
H36a H 0.156356 0.245971 0.312725 0.040 Uiso 1 1 calc GR . . . .
H36b H -0.012102 0.181975 0.333337 0.040 Uiso 1 1 calc GR . . . .
H36c H 0.088553 0.308987 0.379074 0.040 Uiso 1 1 calc GR . . . .
C37 C -0.0986(5) 0.3476(5) 0.2740(3) 0.0254(11) Uani 1 1 d . . . . .
H37a H -0.085013 0.393007 0.328029 0.038 Uiso 1 1 calc GR . . . .
H37b H -0.181164 0.268461 0.277932 0.038 Uiso 1 1 calc GR . . . .
H37c H -0.116745 0.393716 0.228529 0.038 Uiso 1 1 calc GR . . . .
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'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
O1 Nb1 N1 33.58(12) . . ?
O1 Nb1 N2 128.81(12) . . ?
O1 Nb1 N3 98.17(13) . . ?
O2 Nb1 O1 120.31(14) . . ?
O2 Nb1 N1 98.61(13) . . ?
O2 Nb1 N2 33.54(12) . . ?
O2 Nb1 N3 128.35(13) . . ?
O3 Nb1 O1 120.68(13) . . ?
O3 Nb1 O2 118.46(14) . . ?
O3 Nb1 N1 129.30(12) . . ?
O3 Nb1 N2 97.22(13) . . ?
O3 Nb1 N3 34.02(12) . . ?
N1 Nb1 N2 96.16(12) . . ?
N3 Nb1 N1 96.05(12) . . ?
N3 Nb1 N2 95.86(12) . . ?
N5 Nb1 O1 91.99(14) . . ?
N5 Nb1 O2 92.75(15) . . ?
N5 Nb1 O3 92.61(15) . . ?
N5 Nb1 N1 120.45(14) . . ?
N5 Nb1 N2 121.35(14) . . ?
N5 Nb1 N3 120.83(14) . . ?
N1 O1 Nb1 96.9(2) . . ?
N2 O2 Nb1 97.4(2) . . ?
N3 O3 Nb1 96.0(2) . . ?
O1 N1 Nb1 49.55(17) . . ?
O1 N1 C7 106.7(3) . . ?
O1 N1 C8 106.1(3) . . ?
C7 N1 Nb1 123.7(3) . . ?
C7 N1 C8 113.5(3) . . ?
C8 N1 Nb1 121.9(3) . . ?
O2 N2 Nb1 49.02(17) . . ?
O2 N2 C18 106.2(3) . . ?
O2 N2 C19 106.3(3) . . ?
C18 N2 Nb1 122.4(3) . . ?
C18 N2 C19 114.4(4) . . ?
C19 N2 Nb1 122.1(3) . . ?
O3 N3 Nb1 49.96(17) . . ?
O3 N3 C29 106.9(3) . . ?
O3 N3 C30 106.7(3) . . ?
C29 N3 Nb1 123.4(3) . . ?
C29 N3 C30 114.1(3) . . ?
C30 N3 Nb1 121.8(3) . . ?
C1 N4 C12 110.0(3) . . ?
C1 N4 C23 109.7(3) . . ?
C12 N4 C23 110.4(3) . . ?
C34 N5 Nb1 176.5(3) . . ?
N4 C1 C2 111.1(3) . . ?
C3 C2 C1 119.7(4) . . ?
C7 C2 C1 122.2(4) . . ?
C7 C2 C3 117.9(4) . . ?
C4 C3 C2 122.3(4) . . ?
C3 C4 C5 119.1(4) . . ?
C4 C5 C6 120.3(5) . . ?
C5 C6 C7 120.1(4) . . ?
C2 C7 N1 120.2(4) . . ?
C2 C7 C6 120.0(4) . . ?
C6 C7 N1 119.8(4) . . ?
N1 C8 C10 112.0(4) . . ?
N1 C8 C11 108.4(4) . . ?
C9 C8 N1 108.5(4) . . ?
C9 C8 C10 109.3(4) . . ?
C9 C8 C11 109.6(4) . . ?
C11 C8 C10 109.1(4) . . ?
N4 C12 C13 111.5(3) . . ?
C14 C13 C12 119.4(4) . . ?
C18 C13 C12 122.1(4) . . ?
C18 C13 C14 118.3(4) . . ?
C15 C14 C13 121.8(4) . . ?
C14 C15 C16 119.9(4) . . ?
C17 C16 C15 118.8(4) . . ?
C16 C17 C18 121.7(4) . . ?
C13 C18 N2 120.5(4) . . ?
C13 C18 C17 119.3(4) . . ?
C17 C18 N2 120.2(4) . . ?
N2 C19 C20 108.6(4) . . ?
N2 C19 C21 112.3(4) . . ?
N2 C19 C22 107.3(4) . . ?
C20 C19 C21 109.6(4) . . ?
C20 C19 C22 109.3(4) . . ?
C22 C19 C21 109.7(4) . . ?
N4 C23 C24 111.6(4) . . ?
C25 C24 C23 118.7(4) . . ?
C29 C24 C23 122.6(4) . . ?
C29 C24 C25 118.6(4) . . ?
C26 C25 C24 121.5(4) . . ?
C27 C26 C25 118.9(5) . . ?
C28 C27 C26 121.0(5) . . ?
C27 C28 C29 120.5(4) . . ?
C24 C29 N3 120.5(4) . . ?
C24 C29 C28 119.5(4) . . ?
C28 C29 N3 120.0(4) . . ?
N3 C30 C32 111.8(4) . . ?
C31 C30 N3 108.5(4) . . ?
C31 C30 C32 108.7(4) . . ?
C33 C30 N3 108.4(4) . . ?
C33 C30 C31 109.6(4) . . ?
C33 C30 C32 109.9(4) . . ?
N5 C34 C35 109.2(4) . . ?
N5 C34 C36 108.8(4) . . ?
N5 C34 C37 107.6(4) . . ?
C35 C34 C37 111.0(4) . . ?
C36 C34 C35 110.2(4) . . ?
C36 C34 C37 110.0(4) . . ?
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
Nb1 O1 1.988(3) . ?
Nb1 O2 1.986(3) . ?
Nb1 O3 1.984(3) . ?
Nb1 N1 2.594(4) . ?
Nb1 N2 2.609(4) . ?
Nb1 N3 2.577(4) . ?
Nb1 N5 1.749(4) . ?
O1 N1 1.445(5) . ?
O2 N2 1.454(5) . ?
O3 N3 1.450(5) . ?
N1 C7 1.466(6) . ?
N1 C8 1.523(6) . ?
N2 C18 1.459(6) . ?
N2 C19 1.519(6) . ?
N3 C29 1.459(6) . ?
N3 C30 1.530(6) . ?
N4 C1 1.466(5) . ?
N4 C12 1.471(5) . ?
N4 C23 1.472(5) . ?
N5 C34 1.439(5) . ?
C1 C2 1.504(6) . ?
C2 C3 1.398(6) . ?
C2 C7 1.397(6) . ?
C3 C4 1.378(7) . ?
C4 C5 1.382(7) . ?
C5 C6 1.388(7) . ?
C6 C7 1.400(6) . ?
C8 C9 1.516(7) . ?
C8 C10 1.540(7) . ?
C8 C11 1.526(6) . ?
C12 C13 1.511(6) . ?
C13 C14 1.403(6) . ?
C13 C18 1.394(6) . ?
C14 C15 1.373(7) . ?
C15 C16 1.392(7) . ?
C16 C17 1.384(6) . ?
C17 C18 1.396(6) . ?
C19 C20 1.521(7) . ?
C19 C21 1.533(7) . ?
C19 C22 1.529(7) . ?
C23 C24 1.506(6) . ?
C24 C25 1.397(6) . ?
C24 C29 1.394(6) . ?
C25 C26 1.390(7) . ?
C26 C27 1.379(7) . ?
C27 C28 1.366(7) . ?
C28 C29 1.405(6) . ?
C30 C31 1.519(7) . ?
C30 C32 1.543(7) . ?
C30 C33 1.505(6) . ?
C34 C35 1.533(6) . ?
C34 C36 1.519(6) . ?
C34 C37 1.538(6) . ?
