#------------------------------------------------------------------------------
#$Date: 2025-08-21 03:34:05 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301843 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/40/4514017.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_4514017
loop_
_publ_author_name
'Trose, Michael'
'Lazreg, Faïma'
'Chang, Tao'
'Nahra, Fady'
'Cordes, David B.'
'Slawin, Alexandra M. Z.'
'Cazin, Catherine S. J.'
_publ_section_title
;
 Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in
 the Hydrosilylation of Ketones
;
_journal_issue                   1
_journal_name_full               'ACS Catalysis'
_journal_page_first              238
_journal_paper_doi               10.1021/acscatal.6b02723
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety         'C34 H52 Cu2 N10, C H2 Cl2'
_chemical_formula_sum            'C35 H54 Cl2 Cu2 N10'
_chemical_formula_weight         812.88
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a'
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-11-09
_audit_creation_method           'by CrystalStructure 4.1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   20.4817(14)
_cell_length_b                   20.4817(14)
_cell_length_c                   21.6349(17)
_cell_measurement_reflns_used    9642
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.30
_cell_measurement_theta_min      2.00
_cell_volume                     9075.8(11)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b45'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b45'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            55142
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.356
_diffrn_reflns_theta_min         2.350
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.088
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3408.00
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.72
_refine_diff_density_min         -1.02
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4137
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0968P)²+20.7012P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.1843
_reflns_number_gt                3441
_reflns_number_total             4137
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            cs6b02723_si_006.cif
_cod_data_source_block           2e
_cod_database_code               4514017
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y+3/4, x+1/4, z+1/4'
'-x+1/2, -y, z+1/2'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'-x+1, -y+1/2, z+1'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'y-3/4, -x-1/4, -z-1/4'
'x-1/2, y, -z-1/2'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'x, y+1/2, -z'
'-y-1/4, x-1/4, -z-1/4'
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
Cu1 Cu 0.07577(2) 0.54035(3) 0.46924(3) 0.0788(3) Uani 1 1 d . . . . .
Cl31 Cl -0.0359(9) 0.6013(10) 0.0470(7) 0.186(9) Uani 0.245(6) 1 d D U P A 1
Cl32 Cl 0.0113(13) 0.6840(7) -0.0469(5) 0.232(10) Uani 0.245(6) 1 d D U P A 1
Cl33 Cl 0.0010(10) 0.5826(6) 0.0417(6) 0.166(7) Uani 0.255(6) 1 d D U P A 2
Cl34 Cl 0.0850(8) 0.6541(10) -0.0127(7) 0.265(11) Uani 0.255(6) 1 d D U P A 2
N2 N 0.15021(13) 0.61063(15) 0.37675(14) 0.0520(7) Uani 1 1 d . . . . .
N5 N 0.20690(15) 0.60387(19) 0.45955(15) 0.0646(9) Uani 1 1 d . . . . .
N21 N 0.03369(16) 0.45978(19) 0.4372(2) 0.0786(12) Uani 1 1 d . . . . .
N22 N -0.02179(16) 0.4301(2) 0.4601(2) 0.0771(12) Uani 1 1 d . . . . .
N24 N 0.0058(2) 0.3782(2) 0.3725(2) 0.1002(15) Uani 1 1 d . . . . .
C1 C 0.14906(16) 0.5851(2) 0.43466(18) 0.0593(10) Uani 1 1 d . . . . .
C3 C 0.20742(17) 0.64502(19) 0.36651(19) 0.0591(9) Uani 1 1 d . . . . .
H3 H 0.2192 0.6675 0.3297 0.071 Uiso 1 1 calc R U . . .
C4 C 0.24286(18) 0.6406(2) 0.4182(2) 0.0648(10) Uani 1 1 d . . . . .
H4 H 0.2847 0.6591 0.4251 0.078 Uiso 1 1 calc R U . . .
C6 C 0.09785(16) 0.60236(17) 0.33118(16) 0.0500(8) Uani 1 1 d . . . . .
H6 H 0.0648 0.5724 0.3499 0.060 Uiso 1 1 calc R U . . .
C7 C 0.06337(18) 0.66602(19) 0.3171(2) 0.0610(9) Uani 1 1 d . . . . .
H7A H 0.0948 0.6975 0.2992 0.073 Uiso 1 1 calc R U . . .
H7B H 0.0459 0.6849 0.3559 0.073 Uiso 1 1 calc R U . . .
C8 C 0.0077(2) 0.6547(2) 0.2718(2) 0.0661(10) Uani 1 1 d . . . . .
H8A H -0.0253 0.6257 0.2909 0.079 Uiso 1 1 calc R U . . .
H8B H -0.0136 0.6968 0.2620 0.079 Uiso 1 1 calc R U . . .
C9 C 0.0326(2) 0.6242(3) 0.2134(2) 0.0759(13) Uani 1 1 d . . . . .
H9A H 0.0635 0.6544 0.1930 0.091 Uiso 1 1 calc R U . . .
H9B H -0.0043 0.6163 0.1849 0.091 Uiso 1 1 calc R U . . .
C10 C 0.0671(2) 0.5596(3) 0.2270(2) 0.0877(15) Uani 1 1 d . . . . .
H10A H 0.0846 0.5412 0.1880 0.105 Uiso 1 1 calc R U . . .
H10B H 0.0354 0.5281 0.2443 0.105 Uiso 1 1 calc R U . . .
C11 C 0.1230(2) 0.5697(2) 0.2729(2) 0.0711(11) Uani 1 1 d . . . . .
H11A H 0.1427 0.5269 0.2835 0.085 Uiso 1 1 calc R U . . .
H11B H 0.1573 0.5972 0.2538 0.085 Uiso 1 1 calc R U . . .
C12 C 0.2291(2) 0.5856(3) 0.5221(2) 0.0750(13) Uani 1 1 d . . . . .
H12 H 0.1902 0.5682 0.5447 0.090 Uiso 1 1 calc R U . . .
C13 C 0.2536(4) 0.6425(3) 0.5578(3) 0.116(2) Uani 1 1 d . . . . .
H13A H 0.2191 0.6762 0.5602 0.140 Uiso 1 1 calc R U . . .
H13B H 0.2916 0.6618 0.5362 0.140 Uiso 1 1 calc R U . . .
C14 C 0.2736(5) 0.6219(4) 0.6231(3) 0.140(3) Uani 1 1 d . . . . .
H14A H 0.2912 0.6601 0.6456 0.168 Uiso 1 1 calc R U . . .
H14B H 0.2348 0.6059 0.6457 0.168 Uiso 1 1 calc R U . . .
C15 C 0.3247(3) 0.5687(3) 0.6207(3) 0.0979(17) Uani 1 1 d . . . . .
H15A H 0.3647 0.5856 0.6006 0.118 Uiso 1 1 calc R U . . .
H15B H 0.3360 0.5549 0.6632 0.118 Uiso 1 1 calc R U . . .
C16 C 0.2994(3) 0.5118(3) 0.5853(3) 0.0962(17) Uani 1 1 d . . . . .
H16A H 0.2614 0.4929 0.6072 0.115 Uiso 1 1 calc R U . . .
H16B H 0.3336 0.4777 0.5828 0.115 Uiso 1 1 calc R U . . .
C17 C 0.2791(3) 0.5320(2) 0.5202(2) 0.0781(13) Uani 1 1 d . . . . .
H17A H 0.3179 0.5472 0.4970 0.094 Uiso 1 1 calc R U . . .
H17B H 0.2608 0.4938 0.4981 0.094 Uiso 1 1 calc R U . . .
C23 C -0.0353(2) 0.3825(3) 0.4207(3) 0.0879(17) Uani 1 1 d . . . . .
H23 H -0.0712 0.3537 0.4261 0.105 Uiso 1 1 calc R U . . .
C25 C 0.0471(3) 0.4270(3) 0.3859(3) 0.0948(19) Uani 1 1 d . . . . .
H25 H 0.0834 0.4374 0.3604 0.114 Uiso 1 1 calc R U . . .
C31 C 0.0092(9) 0.6652(8) 0.0302(7) 0.068(5) Uiso 0.245(6) 1 d D U P A 1
H31A H 0.0543 0.6570 0.0446 0.082 Uiso 0.245(6) 1 calc R U P A 1
H31B H -0.0078 0.7034 0.0532 0.082 Uiso 0.245(6) 1 calc R U P A 1
C32 C 0.0799(11) 0.5901(12) 0.0348(13) 0.108(8) Uiso 0.255(6) 1 d D U P A 2
H32A H 0.0997 0.5506 0.0163 0.129 Uiso 0.255(6) 1 calc R U P A 2
H32B H 0.1009 0.5992 0.0751 0.129 Uiso 0.255(6) 1 calc R U P A 2
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cu Cu 0.3201 1.2651
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(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
C1 Cu1 N22 126.5(2) . 9_566
C1 Cu1 N21 127.02(18) . .
N22 Cu1 N21 106.31(18) 9_566 .
C1 N2 C3 111.0(3) . .
C1 N2 C6 124.3(3) . .
C3 N2 C6 124.7(3) . .
C1 N5 C4 111.3(3) . .
C1 N5 C12 124.1(3) . .
C4 N5 C12 124.6(3) . .
C25 N21 N22 104.4(5) . .
C25 N21 Cu1 128.6(3) . .
N22 N21 Cu1 126.7(4) . .
C23 N22 N21 105.4(4) . .
C23 N22 Cu1 127.2(3) . 9_566
N21 N22 Cu1 127.0(4) . 9_566
C25 N24 C23 100.2(5) . .
N5 C1 N2 104.0(3) . .
N5 C1 Cu1 131.8(3) . .
N2 C1 Cu1 124.0(3) . .
C4 C3 N2 106.9(3) . .
C4 C3 H3 126.5 . .
N2 C3 H3 126.5 . .
C3 C4 N5 106.8(3) . .
C3 C4 H4 126.6 . .
N5 C4 H4 126.6 . .
N2 C6 C7 112.1(3) . .
N2 C6 C11 111.2(3) . .
C7 C6 C11 111.8(3) . .
N2 C6 H6 107.1 . .
C7 C6 H6 107.1 . .
C11 C6 H6 107.1 . .
C6 C7 C8 110.3(3) . .
C6 C7 H7A 109.6 . .
C8 C7 H7A 109.6 . .
C6 C7 H7B 109.6 . .
C8 C7 H7B 109.6 . .
H7A C7 H7B 108.1 . .
C9 C8 C7 110.6(3) . .
C9 C8 H8A 109.5 . .
C7 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
C8 C9 C10 110.9(4) . .
C8 C9 H9A 109.5 . .
C10 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 108.0 . .
C9 C10 C11 110.8(4) . .
C9 C10 H10A 109.5 . .
C11 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
C11 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C6 C11 C10 110.1(3) . .
C6 C11 H11A 109.6 . .
C10 C11 H11A 109.6 . .
C6 C11 H11B 109.6 . .
C10 C11 H11B 109.6 . .
H11A C11 H11B 108.1 . .
N5 C12 C13 112.5(4) . .
N5 C12 C17 111.7(4) . .
C13 C12 C17 110.9(4) . .
N5 C12 H12 107.1 . .
C13 C12 H12 107.1 . .
C17 C12 H12 107.1 . .
C12 C13 C14 110.7(6) . .
C12 C13 H13A 109.5 . .
C14 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
C15 C14 C13 110.7(6) . .
C15 C14 H14A 109.5 . .
C13 C14 H14A 109.5 . .
C15 C14 H14B 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
C16 C15 C14 110.0(5) . .
C16 C15 H15A 109.7 . .
C14 C15 H15A 109.7 . .
C16 C15 H15B 109.7 . .
C14 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
C15 C16 C17 110.9(4) . .
C15 C16 H16A 109.5 . .
C17 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
C12 C17 C16 111.0(5) . .
C12 C17 H17A 109.4 . .
C16 C17 H17A 109.4 . .
C12 C17 H17B 109.4 . .
C16 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
N22 C23 N24 114.7(5) . .
N22 C23 H23 122.7 . .
N24 C23 H23 122.7 . .
N21 C25 N24 115.4(4) . .
N21 C25 H25 122.3 . .
N24 C25 H25 122.3 . .
Cl31 C31 Cl32 114.2(12) . .
Cl31 C31 H31A 108.7 . .
Cl32 C31 H31A 108.7 . .
Cl31 C31 H31B 108.7 . .
Cl32 C31 H31B 108.7 . .
H31A C31 H31B 107.6 . .
Cl33 C32 Cl34 101.1(13) . .
Cl33 C32 H32A 111.6 . .
Cl34 C32 H32A 111.6 . .
Cl33 C32 H32B 111.6 . .
Cl34 C32 H32B 111.6 . .
H32A C32 H32B 109.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 C1 1.911(3) .
Cu1 N22 1.981(4) 9_566
Cu1 N21 1.987(5) .
Cl31 C31 1.642(15) .
Cl32 C31 1.713(14) .
Cl33 C32 1.630(18) .
Cl34 C32 1.669(18) .
N2 C1 1.358(4) .
N2 C3 1.385(4) .
N2 C6 1.467(5) .
N5 C1 1.357(5) .
N5 C4 1.382(5) .
N5 C12 1.475(5) .
N21 C25 1.325(8) .
N21 N22 1.381(4) .
N22 C23 1.324(7) .
N22 Cu1 1.981(4) 9_566
N24 C25 1.341(8) .
N24 C23 1.344(7) .
C3 C4 1.336(6) .
C3 H3 0.9500 .
C4 H4 0.9500 .
C6 C7 1.514(5) .
C6 C11 1.518(5) .
C6 H6 1.0000 .
C7 C8 1.522(6) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.498(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.527(8) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.530(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.485(8) .
C12 C17 1.502(7) .
C12 H12 1.0000 .
C13 C14 1.530(8) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.512(9) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.488(8) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.527(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C23 H23 0.9500 .
C25 H25 0.9500 .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C25 N21 N22 C23 0.7(4) . .
Cu1 N21 N22 C23 173.7(3) . .
C25 N21 N22 Cu1 -172.4(3) . 9_566
Cu1 N21 N22 Cu1 0.7(4) . 9_566
C4 N5 C1 N2 0.4(5) . .
C12 N5 C1 N2 -177.9(4) . .
C4 N5 C1 Cu1 -174.3(3) . .
C12 N5 C1 Cu1 7.4(7) . .
C3 N2 C1 N5 -0.6(4) . .
C6 N2 C1 N5 179.0(3) . .
C3 N2 C1 Cu1 174.7(3) . .
C6 N2 C1 Cu1 -5.7(5) . .
C1 N2 C3 C4 0.6(5) . .
C6 N2 C3 C4 -179.1(3) . .
N2 C3 C4 N5 -0.3(5) . .
C1 N5 C4 C3 -0.1(5) . .
C12 N5 C4 C3 178.2(4) . .
C1 N2 C6 C7 112.9(4) . .
C3 N2 C6 C7 -67.6(4) . .
C1 N2 C6 C11 -121.2(4) . .
C3 N2 C6 C11 58.4(5) . .
N2 C6 C7 C8 -177.6(3) . .
C11 C6 C7 C8 56.7(4) . .
C6 C7 C8 C9 -57.5(5) . .
C7 C8 C9 C10 58.0(5) . .
C8 C9 C10 C11 -57.1(5) . .
N2 C6 C11 C10 178.2(4) . .
C7 C6 C11 C10 -55.6(5) . .
C9 C10 C11 C6 55.1(5) . .
C1 N5 C12 C13 -131.8(5) . .
C4 N5 C12 C13 50.1(6) . .
C1 N5 C12 C17 102.7(5) . .
C4 N5 C12 C17 -75.4(6) . .
N5 C12 C13 C14 177.8(5) . .
C17 C12 C13 C14 -56.3(7) . .
C12 C13 C14 C15 57.2(10) . .
C13 C14 C15 C16 -57.5(9) . .
C14 C15 C16 C17 57.2(7) . .
N5 C12 C17 C16 -177.6(4) . .
C13 C12 C17 C16 56.1(6) . .
C15 C16 C17 C12 -56.8(6) . .
N21 N22 C23 N24 -1.0(5) . .
Cu1 N22 C23 N24 172.0(3) 9_566 .
C25 N24 C23 N22 0.9(5) . .
N22 N21 C25 N24 -0.2(5) . .
Cu1 N21 C25 N24 -173.0(3) . .
C23 N24 C25 N21 -0.4(5) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139148447
