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#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/25/7022567.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_7022567
loop_
_publ_author_name
'Schweinfurth, David'
'Klein, Johannes'
'Hohloch, Stephan'
'Dechert, Sebastian'
'Demeshko, Serhiy'
'Meyer, Franc'
'Sarkar, Biprajit'
_publ_section_title
;
 Influencing the coordination mode of tbta (tbta =
 tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine) in dicobalt complexes
 through changes in metal oxidation states.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6944
_journal_page_last               6952
_journal_paper_doi               10.1039/c3dt00102d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'C68 H63 Cl2 Co2 N21 O4 2+, 2(C2 H3 N), 2(B F4 -)'
_chemical_formula_sum            'C72 H69 B2 Cl2 Co2 F8 N23 O4'
_chemical_formula_weight         1682.88
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.969(3)
_cell_angle_beta                 91.903(3)
_cell_angle_gamma                110.416(3)
_cell_formula_units_Z            1
_cell_length_a                   11.2933(4)
_cell_length_b                   11.5315(4)
_cell_length_c                   16.4162(6)
_cell_measurement_reflns_used    25772
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      26.76
_cell_measurement_theta_min      1.33
_cell_volume                     1868.67(13)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25772
_diffrn_reflns_theta_full        26.76
_diffrn_reflns_theta_max         26.76
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    0.602
_exptl_absorpt_correction_T_max  0.9291
_exptl_absorpt_correction_T_min  0.7228
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-RED (Stoe & Cie, 2002)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.873
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7927
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0483P)²+1.1032P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                6196
_reflns_number_total             7927
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3dt00102d.txt
_cod_data_source_block           bis3
_cod_original_cell_volume        1868.66(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022567
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.73234(3) 0.56158(3) 0.32390(2) 0.02285(10) Uani 1 1 d . . .
Cl1 Cl 0.71417(7) 0.74877(8) 0.64461(5) 0.04233(19) Uani 1 1 d . . .
N1 N 0.78780(18) 0.5822(2) 0.18210(13) 0.0208(4) Uani 1 1 d . . .
N30 N 0.91499(18) 0.7158(2) 0.34782(13) 0.0217(4) Uani 1 1 d . A .
N31 N 0.98037(18) 0.8120(2) 0.42197(13) 0.0237(4) Uani 1 1 d . . .
N32 N 1.09110(18) 0.8803(2) 0.40225(13) 0.0218(4) Uani 1 1 d . A .
N20 N 0.7252(2) 0.3792(2) 0.23761(14) 0.0252(4) Uani 1 1 d . A .
N21 N 0.7056(2) 0.2720(2) 0.25669(15) 0.0300(5) Uani 1 1 d . . .
N22 N 0.67393(19) 0.1719(2) 0.18026(15) 0.0277(5) Uani 1 1 d . A .
N10 N 0.60717(18) 0.6312(2) 0.27545(13) 0.0227(4) Uani 1 1 d . A .
N11 N 0.49594(19) 0.6290(2) 0.29953(14) 0.0241(4) Uani 1 1 d . . .
N12 N 0.44340(18) 0.6682(2) 0.24493(14) 0.0229(4) Uani 1 1 d . A .
O1 O 0.72074(17) 0.6293(2) 0.45286(12) 0.0371(5) Uani 1 1 d . A .
O2 O 0.54704(17) 0.41971(18) 0.33718(13) 0.0312(4) Uani 1 1 d . A .
C30 C 0.9280(2) 0.6237(3) 0.19237(16) 0.0221(5) Uani 1 1 d . A .
H1A H 0.9605 0.6625 0.1494 0.027 Uiso 1 1 calc R . .
H1B H 0.9512 0.5476 0.1837 0.027 Uiso 1 1 calc R . .
C31 C 0.9841(2) 0.7227(2) 0.28185(16) 0.0202(5) Uani 1 1 d . . .
C32 C 1.0978(2) 0.8289(2) 0.31700(16) 0.0222(5) Uani 1 1 d . A .
H3 H 1.1650 0.8589 0.2883 0.027 Uiso 1 1 calc R . .
C33 C 1.1911(2) 0.9872(3) 0.47205(17) 0.0263(5) Uani 1 1 d . . .
H4A H 1.1515 1.0305 0.5174 0.032 Uiso 1 1 calc R A .
H4B H 1.2421 1.0525 0.4489 0.032 Uiso 1 1 calc R . .
C34 C 1.2780(2) 0.9382(2) 0.51157(15) 0.0226(5) Uani 1 1 d . A .
C39 C 1.3851(2) 1.0318(3) 0.57212(17) 0.0276(5) Uani 1 1 d . . .
H6 H 1.4028 1.1217 0.5861 0.033 Uiso 1 1 calc R A .
C38 C 1.4655(3) 0.9916(3) 0.61166(18) 0.0329(6) Uani 1 1 d . A .
H7 H 1.5370 1.0549 0.6522 0.040 Uiso 1 1 calc R . .
C37 C 1.4413(3) 0.8592(3) 0.59179(19) 0.0352(6) Uani 1 1 d . . .
H8 H 1.4948 0.8330 0.6196 0.042 Uiso 1 1 calc R A .
C36 C 1.3365(3) 0.7656(3) 0.5301(2) 0.0367(6) Uani 1 1 d . A .
H9 H 1.3207 0.6759 0.5150 0.044 Uiso 1 1 calc R . .
C35 C 1.2549(2) 0.8049(3) 0.49056(18) 0.0296(6) Uani 1 1 d . . .
H10 H 1.1841 0.7413 0.4496 0.035 Uiso 1 1 calc R A .
C10 C 0.7458(2) 0.6841(3) 0.17006(17) 0.0232(5) Uani 1 1 d . A .
H11A H 0.7313 0.6706 0.1085 0.028 Uiso 1 1 calc R . .
H11B H 0.8109 0.7718 0.2004 0.028 Uiso 1 1 calc R . .
C11 C 0.6242(2) 0.6715(2) 0.20651(16) 0.0221(5) Uani 1 1 d . . .
C12 C 0.5185(2) 0.6951(2) 0.18517(17) 0.0237(5) Uani 1 1 d . A .
H13 H 0.5020 0.7229 0.1403 0.028 Uiso 1 1 calc R . .
C13 C 0.3155(2) 0.6730(3) 0.25317(17) 0.0257(5) Uani 1 1 d . . .
H14A H 0.3080 0.7401 0.2323 0.031 Uiso 1 1 calc R A .
H14B H 0.3066 0.6987 0.3144 0.031 Uiso 1 1 calc R . .
C14 C 0.2087(2) 0.5421(3) 0.20268(17) 0.0238(5) Uani 1 1 d . A .
C19 C 0.1401(2) 0.4601(3) 0.24470(18) 0.0295(6) Uani 1 1 d . . .
H16 H 0.1615 0.4849 0.3048 0.035 Uiso 1 1 calc R A .
C18 C 0.0400(3) 0.3415(3) 0.1980(2) 0.0352(6) Uani 1 1 d . A .
H17 H -0.0062 0.2877 0.2269 0.042 Uiso 1 1 calc R . .
C17 C 0.0087(3) 0.3032(3) 0.1090(2) 0.0344(6) Uani 1 1 d . . .
H18 H -0.0580 0.2232 0.0776 0.041 Uiso 1 1 calc R A .
C16 C 0.0769(3) 0.3842(3) 0.06643(19) 0.0371(7) Uani 1 1 d . A .
H19 H 0.0563 0.3583 0.0062 0.045 Uiso 1 1 calc R . .
C15 C 0.1758(3) 0.5036(3) 0.11314(18) 0.0330(6) Uani 1 1 d . . .
H20 H 0.2204 0.5584 0.0843 0.040 Uiso 1 1 calc R A .
C20 C 0.7220(2) 0.4524(2) 0.11260(16) 0.0244(5) Uani 1 1 d . A .
H21A H 0.7716 0.4423 0.0655 0.029 Uiso 1 1 calc R . .
H21B H 0.6386 0.4451 0.0893 0.029 Uiso 1 1 calc R . .
C21 C 0.7070(2) 0.3471(2) 0.14992(16) 0.0220(5) Uani 1 1 d . . .
C22 C 0.6738(2) 0.2129(3) 0.11241(17) 0.0265(5) Uani 1 1 d . A .
H23 H 0.6552 0.1615 0.0532 0.032 Uiso 1 1 calc R . .
C23 C 0.6539(3) 0.0379(3) 0.1780(2) 0.0330(6) Uani 1 1 d . . .
H24A H 0.6037 -0.0269 0.1224 0.040 Uiso 1 1 calc R A .
H24B H 0.6067 0.0206 0.2239 0.040 Uiso 1 1 calc R . .
C24 C 0.7813(2) 0.0247(2) 0.19051(18) 0.0268(5) Uani 1 1 d . A .
C25 C 0.8392(3) -0.0153(3) 0.11880(19) 0.0303(6) Uani 1 1 d . . .
H26 H 0.7975 -0.0383 0.0627 0.036 Uiso 1 1 calc R A .
C26 C 0.9591(3) -0.0212(3) 0.1306(2) 0.0339(6) Uani 1 1 d . A .
H27 H 0.9975 -0.0484 0.0826 0.041 Uiso 1 1 calc R . .
C27 C 1.0214(3) 0.0137(3) 0.2141(2) 0.0340(6) Uani 1 1 d . . .
H28 H 1.1021 0.0108 0.2222 0.041 Uiso 1 1 calc R A .
C28 C 0.9636(3) 0.0528(3) 0.2858(2) 0.0353(6) Uani 1 1 d . A .
H29 H 1.0054 0.0758 0.3418 0.042 Uiso 1 1 calc R . .
C29 C 0.8435(3) 0.0576(3) 0.27364(19) 0.0315(6) Uani 1 1 d . . .
H30 H 0.8046 0.0830 0.3217 0.038 Uiso 1 1 calc R A .
C3 C 0.5983(2) 0.6132(3) 0.56493(17) 0.0278(5) Uani 1 1 d . . .
C1 C 0.6205(2) 0.5737(3) 0.48018(17) 0.0268(5) Uani 1 1 d . . .
C2 C 0.5183(2) 0.4526(3) 0.41133(17) 0.0241(5) Uani 1 1 d . . .
B1 B 0.7158(3) 0.1185(3) 0.8801(2) 0.0315(7) Uani 1 1 d . . .
F1 F 0.67488(18) 0.0490(2) 0.79187(11) 0.0479(5) Uani 1 1 d . . .
F2 F 0.84245(19) 0.2021(3) 0.89020(17) 0.0793(8) Uani 1 1 d . . .
F3 F 0.64647(16) 0.19644(19) 0.91276(12) 0.0428(4) Uani 1 1 d . . .
F4 F 0.7088(3) 0.0367(2) 0.92474(15) 0.0913(10) Uani 1 1 d . . .
N200 N 0.5927(3) 0.6961(4) 0.9896(2) 0.0728(11) Uani 1 1 d . . .
C201 C 0.6224(3) 0.7102(3) 0.9272(2) 0.0418(7) Uani 1 1 d . . .
C200 C 0.6595(3) 0.7305(3) 0.8483(2) 0.0430(7) Uani 1 1 d . . .
H42A H 0.6765 0.8208 0.8546 0.064 Uiso 1 1 calc R . .
H42B H 0.5914 0.6722 0.8001 0.064 Uiso 1 1 calc R . .
H42C H 0.7352 0.7120 0.8376 0.064 Uiso 1 1 calc R . .
N100 N 0.8758(5) 0.4972(5) 0.4021(4) 0.0424(12) Uani 0.50 1 d P A -1
C101 C 0.9486(6) 0.4708(8) 0.4361(6) 0.0510(18) Uani 0.50 1 d P A -1
C100 C 1.0382(8) 0.4304(12) 0.4714(9) 0.092(4) Uani 0.50 1 d P A -1
H44A H 1.0024 0.3360 0.4564 0.137 Uiso 0.50 1 calc PR A -1
H44B H 1.0567 0.4732 0.5338 0.137 Uiso 0.50 1 calc PR A -1
H44C H 1.1159 0.4549 0.4476 0.137 Uiso 0.50 1 calc PR A -1
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O1 Co1 N20 133.05(9) . .
O1 Co1 N10 99.51(8) . .
N20 Co1 N10 112.85(8) . .
O1 Co1 N30 89.96(8) . .
N20 Co1 N30 112.71(8) . .
N10 Co1 N30 103.91(8) . .
O1 Co1 O2 75.01(7) . .
N20 Co1 O2 77.40(7) . .
N10 Co1 O2 81.09(8) . .
N30 Co1 O2 164.83(7) . .
O1 Co1 N100 72.33(14) . .
N20 Co1 N100 74.41(14) . .
N10 Co1 N100 171.78(14) . .
N30 Co1 N100 75.70(14) . .
O2 Co1 N100 97.27(14) . .
C20 N1 C30 112.06(19) . .
C20 N1 C10 111.88(19) . .
C30 N1 C10 111.99(19) . .
N31 N30 C31 110.17(19) . .
N31 N30 Co1 129.36(15) . .
C31 N30 Co1 120.44(16) . .
N30 N31 N32 105.69(18) . .
N31 N32 C32 111.9(2) . .
N31 N32 C33 119.6(2) . .
C32 N32 C33 128.2(2) . .
N21 N20 C21 110.1(2) . .
N21 N20 Co1 125.76(17) . .
C21 N20 Co1 122.13(17) . .
N20 N21 N22 105.8(2) . .
N21 N22 C22 112.1(2) . .
N21 N22 C23 119.8(2) . .
C22 N22 C23 127.9(2) . .
N11 N10 C11 110.1(2) . .
N11 N10 Co1 126.54(16) . .
C11 N10 Co1 122.94(15) . .
N10 N11 N12 105.68(19) . .
N11 N12 C12 112.31(19) . .
N11 N12 C13 119.1(2) . .
C12 N12 C13 128.5(2) . .
C1 O1 Co1 119.93(18) . .
C2 O2 Co1 113.91(16) . .
N1 C30 C31 108.40(19) . .
N30 C31 C32 107.3(2) . .
N30 C31 C30 119.1(2) . .
C32 C31 C30 133.6(2) . .
N32 C32 C31 105.0(2) . .
N32 C33 C34 112.5(2) . .
C35 C34 C39 119.0(2) . .
C35 C34 C33 123.0(2) . .
C39 C34 C33 118.0(2) . .
C38 C39 C34 120.1(3) . .
C37 C38 C39 120.9(2) . .
C38 C37 C36 119.3(3) . .
C37 C36 C35 120.2(3) . .
C36 C35 C34 120.5(2) . .
N1 C10 C11 107.55(19) . .
N10 C11 C12 108.1(2) . .
N10 C11 C10 118.9(2) . .
C12 C11 C10 133.0(2) . .
N12 C12 C11 103.7(2) . .
N12 C13 C14 112.7(2) . .
C19 C14 C15 119.0(2) . .
C19 C14 C13 121.0(2) . .
C15 C14 C13 120.0(2) . .
C14 C19 C18 120.6(3) . .
C17 C18 C19 120.1(3) . .
C18 C17 C16 119.7(3) . .
C17 C16 C15 120.2(3) . .
C16 C15 C14 120.4(3) . .
N1 C20 C21 108.60(19) . .
N20 C21 C22 107.5(2) . .
N20 C21 C20 119.8(2) . .
C22 C21 C20 132.7(2) . .
N22 C22 C21 104.6(2) . .
N22 C23 C24 110.3(2) . .
C29 C24 C25 119.5(2) . .
C29 C24 C23 120.2(2) . .
C25 C24 C23 120.2(3) . .
C26 C25 C24 120.2(3) . .
C27 C26 C25 119.8(3) . .
C26 C27 C28 120.1(3) . .
C27 C28 C29 119.9(3) . .
C24 C29 C28 120.4(3) . .
C1 C3 C2 121.6(2) . 2_666
C1 C3 Cl1 119.75(19) . .
C2 C3 Cl1 118.6(2) 2_666 .
O1 C1 C3 125.7(3) . .
O1 C1 C2 115.4(2) . .
C3 C1 C2 118.9(2) . .
O2 C2 C3 125.3(2) . 2_666
O2 C2 C1 115.3(2) . .
C3 C2 C1 119.4(2) 2_666 .
F4 B1 F1 111.7(3) . .
F4 B1 F3 110.5(3) . .
F1 B1 F3 110.8(2) . .
F4 B1 F2 109.1(3) . .
F1 B1 F2 106.7(3) . .
F3 B1 F2 107.8(3) . .
N200 C201 C200 178.8(4) . .
C101 N100 Co1 175.8(5) . .
N100 C101 C100 175.4(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.031(2) .
Co1 N20 2.091(2) .
Co1 N10 2.100(2) .
Co1 N30 2.122(2) .
Co1 O2 2.2309(18) .
Co1 N100 2.479(5) .
Cl1 C3 1.731(3) .
N1 C20 1.467(3) .
N1 C30 1.471(3) .
N1 C10 1.475(3) .
N30 N31 1.323(3) .
N30 C31 1.363(3) .
N31 N32 1.339(3) .
N32 C32 1.347(3) .
N32 C33 1.460(3) .
N20 N21 1.320(3) .
N20 C21 1.354(3) .
N21 N22 1.332(3) .
N22 C22 1.344(3) .
N22 C23 1.469(3) .
N10 N11 1.323(3) .
N10 C11 1.352(3) .
N11 N12 1.332(3) .
N12 C12 1.359(3) .
N12 C13 1.474(3) .
O1 C1 1.268(3) .
O2 C2 1.242(3) .
C30 C31 1.485(3) .
C31 C32 1.369(3) .
C33 C34 1.513(3) .
C34 C35 1.385(4) .
C34 C39 1.388(3) .
C39 C38 1.383(4) .
C38 C37 1.374(4) .
C37 C36 1.382(4) .
C36 C35 1.384(4) .
C10 C11 1.495(3) .
C11 C12 1.372(3) .
C13 C14 1.507(3) .
C14 C19 1.385(4) .
C14 C15 1.386(4) .
C19 C18 1.385(4) .
C18 C17 1.376(4) .
C17 C16 1.383(4) .
C16 C15 1.384(4) .
C20 C21 1.492(3) .
C21 C22 1.370(4) .
C23 C24 1.513(4) .
C24 C29 1.383(4) .
C24 C25 1.391(4) .
C25 C26 1.390(4) .
C26 C27 1.384(4) .
C27 C28 1.386(4) .
C28 C29 1.387(4) .
C3 C1 1.377(4) .
C3 C2 1.411(3) 2_666
C1 C2 1.524(4) .
C2 C3 1.411(3) 2_666
B1 F4 1.355(4) .
B1 F1 1.377(4) .
B1 F3 1.383(4) .
B1 F2 1.386(4) .
N200 C201 1.132(4) .
C201 C200 1.440(4) .
N100 C101 1.156(8) .
C101 C100 1.429(9) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139160096
