#------------------------------------------------------------------------------
#$Date: 2025-08-21 12:25:49 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301846 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/69/7006990.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_7006990
loop_
_publ_author_name
'Wang, Hai-Yu'
'Meng, Xia'
'Jin, Guo-Xin'
_publ_section_title
;
 Synthesis, molecular structure and norbornene polymerization behavior
 of three-coordinate nickel(I) complexes with chelating anilido-imine
 ligands.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2579
_journal_page_last               2585
_journal_paper_doi               10.1039/b516203c
_journal_year                    2006
_chemical_formula_sum            'C49 H54 N2 Ni P'
_chemical_formula_weight         760.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.975(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.695(3)
_cell_length_b                   23.306(6)
_cell_length_c                   17.182(4)
_cell_measurement_reflns_used    808
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.798
_cell_measurement_theta_min      2.515
_cell_volume                     4259.5(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17709
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    0.527
_exptl_absorpt_correction_T_max  0.9491
_exptl_absorpt_correction_T_min  0.8794
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.789
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         7479
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0883
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1559P)²+3.1794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2292
_refine_ls_wR_factor_ref         0.2658
_reflns_number_gt                4569
_reflns_number_total             7479
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b516203c.txt
_cod_data_source_block           f50308c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4259.5(18)
_cod_original_sg_symbol_H-M      'P2(1)/n '
_cod_database_code               7006990
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.39620(7) 0.13533(3) 0.31070(4) 0.0492(3) Uani 1 1 d . . .
N1 N 0.4890(4) 0.19027(15) 0.3757(2) 0.0348(9) Uani 1 1 d . . .
N2 N 0.5391(4) 0.08238(16) 0.3074(2) 0.0409(10) Uani 1 1 d . . .
P1 P 0.20899(17) 0.10800(6) 0.25294(9) 0.0566(5) Uani 1 1 d . . .
C1 C 0.6034(5) 0.1841(2) 0.4154(3) 0.0379(11) Uani 1 1 d . . .
C2 C 0.6585(6) 0.2259(2) 0.4686(4) 0.0531(15) Uani 1 1 d . . .
H2 H 0.6149 0.2598 0.4753 0.064 Uiso 1 1 calc R . .
C3 C 0.7725(6) 0.2182(3) 0.5097(4) 0.0640(18) Uani 1 1 d . . .
H3 H 0.8038 0.2464 0.5448 0.077 Uiso 1 1 calc R . .
C4 C 0.8429(6) 0.1696(3) 0.5007(4) 0.0659(18) Uani 1 1 d . . .
H4 H 0.9204 0.1648 0.5299 0.079 Uiso 1 1 calc R . .
C5 C 0.7978(6) 0.1287(3) 0.4486(4) 0.0546(15) Uani 1 1 d . . .
H5 H 0.8461 0.0963 0.4416 0.066 Uiso 1 1 calc R . .
C6 C 0.6796(5) 0.1345(2) 0.4052(3) 0.0396(12) Uani 1 1 d . . .
C7 C 0.6434(6) 0.0896(2) 0.3492(3) 0.0457(13) Uani 1 1 d . . .
H7 H 0.7048 0.0622 0.3429 0.055 Uiso 1 1 calc R . .
C8 C 0.5349(6) 0.0348(2) 0.2549(3) 0.0491(14) Uani 1 1 d . . .
C9 C 0.5593(7) 0.0436(3) 0.1778(4) 0.0607(16) Uani 1 1 d . . .
C10 C 0.5605(7) -0.0040(3) 0.1294(4) 0.074(2) Uani 1 1 d . . .
H10 H 0.5784 0.0007 0.0779 0.089 Uiso 1 1 calc R . .
C11 C 0.5360(8) -0.0577(3) 0.1558(4) 0.080(2) Uani 1 1 d . . .
H11 H 0.5394 -0.0891 0.1226 0.096 Uiso 1 1 calc R . .
C12 C 0.5070(7) -0.0655(3) 0.2291(4) 0.072(2) Uani 1 1 d . . .
H12 H 0.4861 -0.1022 0.2449 0.086 Uiso 1 1 calc R . .
C13 C 0.5070(6) -0.0205(2) 0.2825(4) 0.0540(15) Uani 1 1 d . . .
C14 C 0.4762(7) -0.0303(3) 0.3653(4) 0.069(2) Uani 1 1 d . . .
H14 H 0.4444 0.0060 0.3842 0.083 Uiso 1 1 calc R . .
C15 C 0.3745(9) -0.0753(3) 0.3712(5) 0.092(3) Uani 1 1 d . . .
H15A H 0.3082 -0.0696 0.3297 0.138 Uiso 1 1 calc R . .
H15B H 0.3412 -0.0717 0.4207 0.138 Uiso 1 1 calc R . .
H15C H 0.4098 -0.1129 0.3668 0.138 Uiso 1 1 calc R . .
C16 C 0.5931(10) -0.0467(4) 0.4206(5) 0.101(3) Uani 1 1 d . . .
H16A H 0.6342 -0.0788 0.3992 0.152 Uiso 1 1 calc R . .
H16B H 0.5682 -0.0569 0.4709 0.152 Uiso 1 1 calc R . .
H16C H 0.6499 -0.0147 0.4261 0.152 Uiso 1 1 calc R . .
C17 C 0.5856(9) 0.1032(3) 0.1484(4) 0.085(2) Uani 1 1 d . . .
H17 H 0.5605 0.1310 0.1866 0.102 Uiso 1 1 calc R . .
C18 C 0.5125(10) 0.1167(4) 0.0691(6) 0.109(3) Uani 1 1 d . . .
H18A H 0.5476 0.0953 0.0289 0.164 Uiso 1 1 calc R . .
H18B H 0.5183 0.1570 0.0585 0.164 Uiso 1 1 calc R . .
H18C H 0.4259 0.1062 0.0703 0.164 Uiso 1 1 calc R . .
C19 C 0.7262(11) 0.1106(5) 0.1426(7) 0.156(6) Uani 1 1 d . . .
H19A H 0.7727 0.0965 0.1895 0.234 Uiso 1 1 calc R . .
H19B H 0.7447 0.1505 0.1362 0.234 Uiso 1 1 calc R . .
H19C H 0.7495 0.0894 0.0984 0.234 Uiso 1 1 calc R . .
C20 C 0.4253(5) 0.2442(2) 0.3824(3) 0.0387(12) Uani 1 1 d . . .
C21 C 0.4501(5) 0.2887(2) 0.3324(3) 0.0470(14) Uani 1 1 d . . .
C22 C 0.3823(7) 0.3396(3) 0.3362(4) 0.0639(18) Uani 1 1 d . . .
H22 H 0.3975 0.3697 0.3030 0.077 Uiso 1 1 calc R . .
C23 C 0.2953(7) 0.3462(3) 0.3868(5) 0.073(2) Uani 1 1 d . . .
H23 H 0.2502 0.3803 0.3875 0.088 Uiso 1 1 calc R . .
C24 C 0.2733(6) 0.3024(3) 0.4376(4) 0.0682(19) Uani 1 1 d . . .
H24 H 0.2142 0.3077 0.4730 0.082 Uiso 1 1 calc R . .
C25 C 0.3376(5) 0.2502(2) 0.4370(3) 0.0499(14) Uani 1 1 d . . .
C26 C 0.5511(6) 0.2834(3) 0.2758(4) 0.0634(17) Uani 1 1 d . . .
H26 H 0.5955 0.2471 0.2867 0.076 Uiso 1 1 calc R . .
C27 C 0.4904(10) 0.2817(7) 0.1918(5) 0.159(6) Uani 1 1 d . . .
H27A H 0.4400 0.3154 0.1812 0.239 Uiso 1 1 calc R . .
H27B H 0.4381 0.2482 0.1843 0.239 Uiso 1 1 calc R . .
H27C H 0.5546 0.2803 0.1567 0.239 Uiso 1 1 calc R . .
C28 C 0.6462(9) 0.3311(4) 0.2850(7) 0.125(4) Uani 1 1 d . . .
H28A H 0.7066 0.3259 0.2479 0.188 Uiso 1 1 calc R . .
H28B H 0.6884 0.3304 0.3371 0.188 Uiso 1 1 calc R . .
H28C H 0.6045 0.3673 0.2758 0.188 Uiso 1 1 calc R . .
C29 C 0.3175(6) 0.2041(3) 0.4950(3) 0.0564(15) Uani 1 1 d . . .
H29 H 0.3645 0.1703 0.4808 0.068 Uiso 1 1 calc R . .
C30 C 0.3683(9) 0.2211(4) 0.5770(4) 0.093(3) Uani 1 1 d . . .
H30A H 0.4505 0.2375 0.5763 0.140 Uiso 1 1 calc R . .
H30B H 0.3734 0.1878 0.6101 0.140 Uiso 1 1 calc R . .
H30C H 0.3132 0.2488 0.5968 0.140 Uiso 1 1 calc R . .
C31 C 0.1799(8) 0.1870(5) 0.4919(5) 0.112(3) Uani 1 1 d . . .
H31A H 0.1307 0.2198 0.5035 0.168 Uiso 1 1 calc R . .
H31B H 0.1706 0.1574 0.5297 0.168 Uiso 1 1 calc R . .
H31C H 0.1516 0.1730 0.4405 0.168 Uiso 1 1 calc R . .
C32 C 0.1046(6) 0.1705(2) 0.2614(3) 0.0497(14) Uani 1 1 d . . .
C33 C 0.1528(6) 0.2229(3) 0.2435(4) 0.0623(17) Uani 1 1 d . . .
H33 H 0.2307 0.2247 0.2240 0.075 Uiso 1 1 calc R . .
C34 C 0.0893(7) 0.2715(3) 0.2537(5) 0.069(2) Uani 1 1 d . . .
H34 H 0.1226 0.3065 0.2397 0.082 Uiso 1 1 calc R . .
C35 C -0.0221(7) 0.2704(2) 0.2840(4) 0.0641(18) Uani 1 1 d . . .
H35 H -0.0636 0.3045 0.2926 0.077 Uiso 1 1 calc R . .
C36 C -0.0741(6) 0.2191(3) 0.3022(4) 0.0644(17) Uani 1 1 d . . .
H36 H -0.1518 0.2179 0.3218 0.077 Uiso 1 1 calc R . .
C37 C -0.0090(6) 0.1689(2) 0.2908(4) 0.0575(16) Uani 1 1 d . . .
H37 H -0.0431 0.1338 0.3033 0.069 Uiso 1 1 calc R . .
C38 C 0.1233(7) 0.0526(3) 0.3001(4) 0.0654(18) Uani 1 1 d . . .
C39 C 0.1578(9) 0.0406(4) 0.3780(5) 0.094(3) Uani 1 1 d . . .
H39 H 0.2265 0.0595 0.4039 0.112 Uiso 1 1 calc R . .
C40 C 0.0944(13) 0.0020(6) 0.4179(8) 0.133(4) Uani 1 1 d . . .
H40 H 0.1187 -0.0049 0.4706 0.160 Uiso 1 1 calc R . .
C41 C -0.0052(15) -0.0267(4) 0.3802(9) 0.126(5) Uani 1 1 d . . .
H41 H -0.0461 -0.0543 0.4074 0.151 Uiso 1 1 calc R . .
C42 C -0.0482(12) -0.0156(4) 0.3007(8) 0.131(4) Uani 1 1 d . . .
H42 H -0.1185 -0.0336 0.2751 0.158 Uiso 1 1 calc R . .
C43 C 0.0236(9) 0.0244(3) 0.2637(5) 0.084(2) Uani 1 1 d . . .
H43 H 0.0011 0.0320 0.2110 0.101 Uiso 1 1 calc R . .
C44 C 0.1770(6) 0.0872(2) 0.1490(3) 0.0520(14) Uani 1 1 d . . .
C45 C 0.1101(8) 0.1207(3) 0.0935(4) 0.077(2) Uani 1 1 d . . .
H45 H 0.0770 0.1555 0.1082 0.092 Uiso 1 1 calc R . .
C46 C 0.0915(9) 0.1035(4) 0.0167(5) 0.096(3) Uani 1 1 d . . .
H46 H 0.0443 0.1262 -0.0201 0.115 Uiso 1 1 calc R . .
C47 C 0.1419(9) 0.0537(4) -0.0054(5) 0.093(3) Uani 1 1 d . . .
H47 H 0.1315 0.0427 -0.0577 0.112 Uiso 1 1 calc R . .
C48 C 0.2083(9) 0.0193(3) 0.0487(5) 0.086(2) Uani 1 1 d . . .
H48 H 0.2397 -0.0157 0.0335 0.103 Uiso 1 1 calc R . .
C49 C 0.2285(7) 0.0366(3) 0.1256(4) 0.0678(18) Uani 1 1 d . . .
H49 H 0.2769 0.0141 0.1619 0.081 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
N1 Ni1 N2 94.56(17) . . ?
N1 Ni1 P1 147.08(13) . . ?
N2 Ni1 P1 118.08(13) . . ?
C1 N1 C20 117.7(4) . . ?
C1 N1 Ni1 128.0(3) . . ?
C20 N1 Ni1 114.3(3) . . ?
C7 N2 C8 115.2(5) . . ?
C7 N2 Ni1 122.5(3) . . ?
C8 N2 Ni1 122.2(4) . . ?
C38 P1 C44 101.1(3) . . ?
C38 P1 C32 100.8(3) . . ?
C44 P1 C32 103.2(3) . . ?
C38 P1 Ni1 118.3(2) . . ?
C44 P1 Ni1 124.9(2) . . ?
C32 P1 Ni1 105.1(2) . . ?
N1 C1 C2 123.2(5) . . ?
N1 C1 C6 121.5(4) . . ?
C2 C1 C6 115.3(5) . . ?
C3 C2 C1 122.3(5) . . ?
C2 C3 C4 121.5(6) . . ?
C5 C4 C3 119.3(6) . . ?
C4 C5 C6 121.3(6) . . ?
C5 C6 C1 120.2(5) . . ?
C5 C6 C7 116.6(5) . . ?
C1 C6 C7 123.2(5) . . ?
N2 C7 C6 128.9(5) . . ?
C9 C8 C13 121.3(5) . . ?
C9 C8 N2 119.4(5) . . ?
C13 C8 N2 119.4(5) . . ?
C10 C9 C8 117.9(6) . . ?
C10 C9 C17 121.3(6) . . ?
C8 C9 C17 120.8(5) . . ?
C11 C10 C9 121.3(6) . . ?
C12 C11 C10 120.6(6) . . ?
C11 C12 C13 122.1(6) . . ?
C12 C13 C8 116.8(6) . . ?
C12 C13 C14 121.4(5) . . ?
C8 C13 C14 121.8(5) . . ?
C13 C14 C15 113.2(6) . . ?
C13 C14 C16 112.1(6) . . ?
C15 C14 C16 109.2(6) . . ?
C9 C17 C19 110.1(7) . . ?
C9 C17 C18 112.9(7) . . ?
C19 C17 C18 109.4(7) . . ?
C21 C20 C25 121.6(5) . . ?
C21 C20 N1 118.7(5) . . ?
C25 C20 N1 119.7(5) . . ?
C20 C21 C22 118.2(6) . . ?
C20 C21 C26 121.6(5) . . ?
C22 C21 C26 120.2(6) . . ?
C23 C22 C21 121.6(7) . . ?
C22 C23 C24 120.0(6) . . ?
C23 C24 C25 121.5(7) . . ?
C24 C25 C20 117.0(6) . . ?
C24 C25 C29 121.0(6) . . ?
C20 C25 C29 121.9(5) . . ?
C28 C26 C27 109.7(8) . . ?
C28 C26 C21 112.8(7) . . ?
C27 C26 C21 110.2(6) . . ?
C25 C29 C30 111.8(5) . . ?
C25 C29 C31 111.8(6) . . ?
C30 C29 C31 110.8(7) . . ?
C37 C32 C33 118.5(5) . . ?
C37 C32 P1 125.1(4) . . ?
C33 C32 P1 116.0(5) . . ?
C34 C33 C32 121.0(7) . . ?
C33 C34 C35 120.9(6) . . ?
C34 C35 C36 120.0(6) . . ?
C35 C36 C37 119.0(6) . . ?
C32 C37 C36 120.6(6) . . ?
C43 C38 C39 117.9(7) . . ?
C43 C38 P1 123.3(6) . . ?
C39 C38 P1 118.7(6) . . ?
C40 C39 C38 121.9(11) . . ?
C39 C40 C41 119.6(11) . . ?
C40 C41 C42 121.8(9) . . ?
C43 C42 C41 114.8(11) . . ?
C38 C43 C42 123.9(10) . . ?
C45 C44 C49 118.6(6) . . ?
C45 C44 P1 123.5(5) . . ?
C49 C44 P1 117.8(5) . . ?
C44 C45 C46 120.9(7) . . ?
C47 C46 C45 119.8(7) . . ?
C46 C47 C48 120.5(7) . . ?
C47 C48 C49 119.9(7) . . ?
C48 C49 C44 120.1(7) . . ?
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
Ni1 N1 1.908(4) . ?
Ni1 N2 1.970(4) . ?
Ni1 P1 2.233(2) . ?
N1 C1 1.345(6) . ?
N1 C20 1.441(6) . ?
N2 C7 1.274(7) . ?
N2 C8 1.426(6) . ?
P1 C38 1.821(7) . ?
P1 C44 1.848(6) . ?
P1 C32 1.850(6) . ?
C1 C2 1.421(7) . ?
C1 C6 1.436(7) . ?
C2 C3 1.356(8) . ?
C3 C4 1.378(9) . ?
C4 C5 1.360(9) . ?
C5 C6 1.405(8) . ?
C6 C7 1.447(7) . ?
C8 C9 1.392(8) . ?
C8 C13 1.417(7) . ?
C9 C10 1.388(8) . ?
C9 C17 1.514(9) . ?
C10 C11 1.366(9) . ?
C11 C12 1.341(10) . ?
C12 C13 1.393(8) . ?
C13 C14 1.511(8) . ?
C14 C15 1.522(10) . ?
C14 C16 1.538(11) . ?
C17 C19 1.527(14) . ?
C17 C18 1.531(12) . ?
C20 C21 1.390(8) . ?
C20 C25 1.400(8) . ?
C21 C22 1.394(8) . ?
C21 C26 1.533(9) . ?
C22 C23 1.346(10) . ?
C23 C24 1.378(10) . ?
C24 C25 1.399(8) . ?
C25 C29 1.495(8) . ?
C26 C28 1.503(10) . ?
C26 C27 1.521(11) . ?
C29 C30 1.509(9) . ?
C29 C31 1.520(10) . ?
C32 C37 1.365(9) . ?
C32 C33 1.372(8) . ?
C33 C34 1.343(9) . ?
C34 C35 1.350(10) . ?
C35 C36 1.369(9) . ?
C36 C37 1.385(8) . ?
C38 C43 1.350(10) . ?
C38 C39 1.380(10) . ?
C39 C40 1.355(14) . ?
C40 C41 1.362(16) . ?
C41 C42 1.420(16) . ?
C42 C43 1.402(12) . ?
C44 C45 1.373(8) . ?
C44 C49 1.379(8) . ?
C45 C46 1.374(10) . ?
C46 C47 1.351(12) . ?
C47 C48 1.368(11) . ?
C48 C49 1.378(10) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168347331
