#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/19/4301950.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_4301950
loop_
_publ_author_name
'Norton, Kieran'
'Kumar, G. A.'
'Dilks, Jennifer L.'
'Emge, Thomas J.'
'Riman, Richard E.'
'Brik, Mikhail G.'
'Brennan, John G.'
_publ_section_title
;
 Lanthanide Compounds with Fluorinated Aryloxide Ligands: Near-Infrared
 Emission from Nd, Tm, and Er
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3573
_journal_page_last               3580
_journal_paper_doi               10.1021/ic8020639
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C30 H24 F15 O6 Yb'
_chemical_formula_weight         938.53
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 92.225(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4229(10)
_cell_length_b                   17.9072(16)
_cell_length_c                   16.4348(14)
_cell_measurement_reflns_used    7619
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.42
_cell_volume                     3359.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18011
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    2.909
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1828
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_refine_diff_density_max         1.574
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         5103
_refine_ls_number_restraints     459
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0258
_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)+(0.0430P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                4636
_reflns_number_total             5103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8020639_si_008.cif
_cod_data_source_block           ybocfthf
_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_sg_symbol_H-M      'C 2/c'
_cod_database_code               4301950
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Yb1 Yb 0.5000 0.356909(6) 0.2500 0.03399(5) Uani 1 2 d SU . .
O1 O 0.5000 0.24051(13) 0.2500 0.0511(5) Uani 1 2 d SU . .
O2 O 0.62223(16) 0.36874(9) 0.15777(11) 0.0485(4) Uani 1 1 d U . .
O3 O 0.5000 0.48714(12) 0.2500 0.0452(5) Uani 1 2 d SU . .
O4 O 0.64631(15) 0.37332(10) 0.34817(11) 0.0485(4) Uani 1 1 d U B .
C1 C 0.5000 0.16857(18) 0.2500 0.0399(6) Uani 1 2 d SU . .
C2 C 0.4162(2) 0.12617(15) 0.20602(17) 0.0501(5) Uani 1 1 d U . .
C3 C 0.4175(2) 0.04957(16) 0.2052(2) 0.0659(7) Uani 1 1 d U . .
C4 C 0.5000 0.0113(2) 0.2500 0.0763(13) Uani 1 2 d SU . .
C5 C 0.7021(2) 0.35417(10) 0.10533(14) 0.0370(4) Uani 1 1 d U . .
C6 C 0.79299(19) 0.30339(12) 0.12086(13) 0.0445(4) Uani 1 1 d U . .
C7 C 0.87780(19) 0.28898(14) 0.06562(15) 0.0501(5) Uani 1 1 d U . .
C8 C 0.8766(2) 0.32376(14) -0.00767(15) 0.0513(5) Uani 1 1 d U . .
C9 C 0.7877(3) 0.37373(14) -0.02623(15) 0.0500(5) Uani 1 1 d U . .
C10 C 0.7039(2) 0.38872(12) 0.02862(13) 0.0434(4) Uani 1 1 d U . .
C11 C 0.5371(3) 0.53467(15) 0.18432(19) 0.0690(7) Uani 1 1 d U . .
H11A H 0.4796 0.5343 0.1393 0.083 Uiso 1 1 calc R . .
H11B H 0.6119 0.5183 0.1648 0.083 Uiso 1 1 calc R . .
C12 C 0.5472(4) 0.61077(18) 0.2213(3) 0.1088(14) Uani 1 1 d U . .
H12A H 0.6229 0.6178 0.2491 0.131 Uiso 1 1 calc R . .
H12B H 0.5356 0.6494 0.1805 0.131 Uiso 1 1 calc R . .
C13 C 0.7568(2) 0.4108(2) 0.3352(2) 0.0726(8) Uani 1 1 d U . .
H13A H 0.7435 0.4619 0.3174 0.087 Uiso 1 1 calc R A 1
H13B H 0.8003 0.3849 0.2943 0.087 Uiso 1 1 calc R A 1
C14A C 0.8248(11) 0.4090(5) 0.4191(6) 0.076(2) Uani 0.600(7) 1 d PDU B 1
H14A H 0.9088 0.4056 0.4131 0.091 Uiso 1 1 calc R B 1
H14B H 0.8071 0.4521 0.4522 0.091 Uiso 1 1 calc R B 1
C15A C 0.7751(6) 0.3378(5) 0.4535(5) 0.0884(17) Uani 0.600(7) 1 d PDU B 1
H15A H 0.7875 0.3356 0.5121 0.106 Uiso 1 1 calc R B 1
H15B H 0.8099 0.2940 0.4293 0.106 Uiso 1 1 calc R B 1
C14B C 0.8319(17) 0.3902(9) 0.4031(10) 0.076(2) Uani 0.400(7) 1 d PDU B 2
C15B C 0.7484(10) 0.3824(7) 0.4740(7) 0.0884(17) Uani 0.400(7) 1 d PDU B 2
C16 C 0.6453(3) 0.3439(2) 0.4295(2) 0.0756(9) Uani 1 1 d U . .
H16A H 0.6074 0.2955 0.4303 0.091 Uiso 1 1 calc R B 1
H16B H 0.6055 0.3776 0.4655 0.091 Uiso 1 1 calc R B 1
F1 F 0.33291(16) 0.16302(13) 0.16218(12) 0.0738(4) Uani 1 1 d U . .
F2 F 0.33609(18) 0.01277(13) 0.15885(16) 0.1088(8) Uani 1 1 d U . .
F3 F 0.5000 -0.06460(13) 0.2500 0.1166(14) Uani 1 2 d SU . .
F4 F 0.79679(15) 0.26717(10) 0.19259(10) 0.0733(5) Uani 1 1 d U . .
F5 F 0.96291(14) 0.23878(11) 0.08362(12) 0.0835(5) Uani 1 1 d U . .
F6 F 0.95854(15) 0.30857(10) -0.06175(11) 0.0778(5) Uani 1 1 d U . .
F7 F 0.78423(19) 0.40749(10) -0.09973(10) 0.0820(5) Uani 1 1 d U . .
F8 F 0.61904(15) 0.43822(9) 0.00804(10) 0.0698(4) Uani 1 1 d U . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
O O 0.0106 0.0060 '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'
Yb Yb -0.3850 5.5486 '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 Yb1 O2 95.76(4) . . ?
O1 Yb1 O2 95.76(4) . 2_655 ?
O2 Yb1 O2 168.48(9) . 2_655 ?
O1 Yb1 O4 97.35(4) . 2_655 ?
O2 Yb1 O4 88.07(7) . 2_655 ?
O2 Yb1 O4 90.46(7) 2_655 2_655 ?
O1 Yb1 O4 97.35(4) . . ?
O2 Yb1 O4 90.46(7) . . ?
O2 Yb1 O4 88.07(7) 2_655 . ?
O4 Yb1 O4 165.30(9) 2_655 . ?
O1 Yb1 O3 180.0 . . ?
O2 Yb1 O3 84.24(4) . . ?
O2 Yb1 O3 84.24(4) 2_655 . ?
O4 Yb1 O3 82.65(4) 2_655 . ?
O4 Yb1 O3 82.65(4) . . ?
C1 O1 Yb1 180.0 . . ?
C5 O2 Yb1 162.30(14) . . ?
C11 O3 C11 108.1(3) . 2_655 ?
C11 O3 Yb1 125.93(14) . . ?
C11 O3 Yb1 125.93(14) 2_655 . ?
C16 O4 C13 110.2(2) . . ?
C16 O4 Yb1 125.07(18) . . ?
C13 O4 Yb1 124.65(16) . . ?
O1 C1 C2 122.83(16) . . ?
O1 C1 C2 122.83(16) . 2_655 ?
C2 C1 C2 114.3(3) . 2_655 ?
F1 C2 C3 119.5(3) . . ?
F1 C2 C1 117.8(2) . . ?
C3 C2 C1 122.7(3) . . ?
F2 C3 C4 120.5(3) . . ?
F2 C3 C2 119.1(3) . . ?
C4 C3 C2 120.4(3) . . ?
F3 C4 C3 120.28(17) . . ?
F3 C4 C3 120.28(17) . 2_655 ?
C3 C4 C3 119.4(3) . 2_655 ?
O2 C5 C6 122.9(2) . . ?
O2 C5 C10 122.6(2) . . ?
C6 C5 C10 114.5(2) . . ?
F4 C6 C7 119.2(2) . . ?
F4 C6 C5 118.22(19) . . ?
C7 C6 C5 122.6(2) . . ?
F5 C7 C8 118.9(2) . . ?
F5 C7 C6 120.0(2) . . ?
C8 C7 C6 121.1(2) . . ?
F6 C8 C7 120.8(2) . . ?
F6 C8 C9 120.7(2) . . ?
C7 C8 C9 118.5(2) . . ?
F7 C9 C10 120.3(2) . . ?
F7 C9 C8 119.0(2) . . ?
C10 C9 C8 120.7(2) . . ?
F8 C10 C9 118.6(2) . . ?
F8 C10 C5 118.70(19) . . ?
C9 C10 C5 122.7(2) . . ?
O3 C11 C12 104.6(3) . . ?
O3 C11 H11A 110.8 . . ?
C12 C11 H11A 110.8 . . ?
O3 C11 H11B 110.8 . . ?
C12 C11 H11B 110.8 . . ?
H11A C11 H11B 108.9 . . ?
C12 C12 C11 102.4(3) 2_655 . ?
C12 C12 H12A 111.3 2_655 . ?
C11 C12 H12A 111.3 . . ?
C12 C12 H12B 111.3 2_655 . ?
C11 C12 H12B 111.3 . . ?
H12A C12 H12B 109.2 . . ?
O4 C13 C14A 105.4(4) . . ?
O4 C13 H13A 110.7 . . ?
C14A C13 H13A 110.7 . . ?
O4 C13 H13B 110.7 . . ?
C14A C13 H13B 110.7 . . ?
H13A C13 H13B 108.8 . . ?
C15A C14A C13 99.6(6) . . ?
C15A C14A H14A 111.9 . . ?
C13 C14A H14A 111.9 . . ?
C15A C14A H14B 111.9 . . ?
C13 C14A H14B 111.9 . . ?
H14A C14A H14B 109.6 . . ?
C14A C15A C16 102.6(7) . . ?
C14A C15A H15A 111.3 . . ?
C16 C15A H15A 111.3 . . ?
C14A C15A H15B 111.3 . . ?
C16 C15A H15B 111.3 . . ?
H15A C15A H15B 109.2 . . ?
O4 C16 C15A 103.0(4) . . ?
O4 C16 H16A 111.2 . . ?
C15A C16 H16A 111.2 . . ?
O4 C16 H16B 111.2 . . ?
C15A C16 H16B 111.2 . . ?
H16A C16 H16B 109.1 . . ?
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
Yb1 O1 2.084(2) . ?
Yb1 O2 2.1109(17) . ?
Yb1 O2 2.1109(17) 2_655 ?
Yb1 O4 2.2963(16) 2_655 ?
Yb1 O4 2.2963(16) . ?
Yb1 O3 2.332(2) . ?
O1 C1 1.288(4) . ?
O2 C5 1.306(3) . ?
O3 C11 1.451(3) . ?
O3 C11 1.451(3) 2_655 ?
O4 C16 1.436(4) . ?
O4 C13 1.452(3) . ?
C1 C2 1.400(3) . ?
C1 C2 1.400(3) 2_655 ?
C2 F1 1.344(3) . ?
C2 C3 1.372(4) . ?
C3 F2 1.351(3) . ?
C3 C4 1.359(4) . ?
C4 F3 1.359(4) . ?
C4 C3 1.359(4) 2_655 ?
C5 C6 1.396(3) . ?
C5 C10 1.405(3) . ?
C6 F4 1.345(2) . ?
C6 C7 1.377(3) . ?
C7 F5 1.348(3) . ?
C7 C8 1.356(3) . ?
C8 F6 1.344(2) . ?
C8 C9 1.379(4) . ?
C9 F7 1.350(3) . ?
C9 C10 1.367(3) . ?
C10 F8 1.347(3) . ?
C11 C12 1.495(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C12 1.460(8) 2_655 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14A 1.558(12) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14A C15A 1.514(10) . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C15A C16 1.524(7) . ?
C15A H15A 0.9700 . ?
C15A H15B 0.9700 . ?
C14B C15B 1.540(14) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Yb1 O1 C1 -134(100) . . . . ?
O2 Yb1 O1 C1 46(100) 2_655 . . . ?
O4 Yb1 O1 C1 -45(100) 2_655 . . . ?
O4 Yb1 O1 C1 135(100) . . . . ?
O3 Yb1 O1 C1 0(93) . . . . ?
O1 Yb1 O2 C5 -12.5(6) . . . . ?
O2 Yb1 O2 C5 167.5(6) 2_655 . . . ?
O4 Yb1 O2 C5 -109.7(6) 2_655 . . . ?
O4 Yb1 O2 C5 85.0(6) . . . . ?
O3 Yb1 O2 C5 167.5(6) . . . . ?
O1 Yb1 O3 C11 67(100) . . . . ?
O2 Yb1 O3 C11 20.51(18) . . . . ?
O2 Yb1 O3 C11 -159.50(18) 2_655 . . . ?
O4 Yb1 O3 C11 -68.28(17) 2_655 . . . ?
O4 Yb1 O3 C11 111.72(17) . . . . ?
O1 Yb1 O3 C11 -113(100) . . . 2_655 ?
O2 Yb1 O3 C11 -159.49(18) . . . 2_655 ?
O2 Yb1 O3 C11 20.50(18) 2_655 . . 2_655 ?
O4 Yb1 O3 C11 111.72(17) 2_655 . . 2_655 ?
O4 Yb1 O3 C11 -68.28(17) . . . 2_655 ?
O1 Yb1 O4 C16 -57.2(2) . . . . ?
O2 Yb1 O4 C16 -153.1(2) . . . . ?
O2 Yb1 O4 C16 38.4(2) 2_655 . . . ?
O4 Yb1 O4 C16 122.8(2) 2_655 . . . ?
O3 Yb1 O4 C16 122.8(2) . . . . ?
O1 Yb1 O4 C13 118.5(2) . . . . ?
O2 Yb1 O4 C13 22.6(2) . . . . ?
O2 Yb1 O4 C13 -145.9(2) 2_655 . . . ?
O4 Yb1 O4 C13 -61.5(2) 2_655 . . . ?
O3 Yb1 O4 C13 -61.5(2) . . . . ?
Yb1 O1 C1 C2 38(100) . . . . ?
Yb1 O1 C1 C2 -142(100) . . . 2_655 ?
O1 C1 C2 F1 0.1(3) . . . . ?
C2 C1 C2 F1 -179.9(3) 2_655 . . . ?
O1 C1 C2 C3 178.99(18) . . . . ?
C2 C1 C2 C3 -1.02(18) 2_655 . . . ?
F1 C2 C3 F2 1.3(4) . . . . ?
C1 C2 C3 F2 -177.6(2) . . . . ?
F1 C2 C3 C4 -179.1(2) . . . . ?
C1 C2 C3 C4 2.0(4) . . . . ?
F2 C3 C4 F3 -1.3(3) . . . . ?
C2 C3 C4 F3 179.01(17) . . . . ?
F2 C3 C4 C3 178.7(3) . . . 2_655 ?
C2 C3 C4 C3 -0.99(17) . . . 2_655 ?
Yb1 O2 C5 C6 -36.0(7) . . . . ?
Yb1 O2 C5 C10 144.2(5) . . . . ?
O2 C5 C6 F4 1.1(3) . . . . ?
C10 C5 C6 F4 -179.2(2) . . . . ?
O2 C5 C6 C7 -179.2(2) . . . . ?
C10 C5 C6 C7 0.5(3) . . . . ?
F4 C6 C7 F5 0.3(3) . . . . ?
C5 C6 C7 F5 -179.4(2) . . . . ?
F4 C6 C7 C8 179.4(2) . . . . ?
C5 C6 C7 C8 -0.3(4) . . . . ?
F5 C7 C8 F6 0.1(4) . . . . ?
C6 C7 C8 F6 -179.0(2) . . . . ?
F5 C7 C8 C9 178.6(2) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
F6 C8 C9 F7 -0.2(4) . . . . ?
C7 C8 C9 F7 -178.6(2) . . . . ?
F6 C8 C9 C10 179.5(2) . . . . ?
C7 C8 C9 C10 1.1(4) . . . . ?
F7 C9 C10 F8 -0.7(4) . . . . ?
C8 C9 C10 F8 179.6(2) . . . . ?
F7 C9 C10 C5 178.8(2) . . . . ?
C8 C9 C10 C5 -0.8(4) . . . . ?
O2 C5 C10 F8 -0.7(3) . . . . ?
C6 C5 C10 F8 179.5(2) . . . . ?
O2 C5 C10 C9 179.8(2) . . . . ?
C6 C5 C10 C9 0.0(3) . . . . ?
C11 O3 C11 C12 13.0(2) 2_655 . . . ?
Yb1 O3 C11 C12 -167.0(2) . . . . ?
O3 C11 C12 C12 -34.4(6) . . . 2_655 ?
C16 O4 C13 C14A -4.7(5) . . . . ?
Yb1 O4 C13 C14A 179.0(4) . . . . ?
O4 C13 C14A C15A 29.3(8) . . . . ?
C13 C14A C15A C16 -42.1(9) . . . . ?
C13 O4 C16 C15A -22.0(5) . . . . ?
Yb1 O4 C16 C15A 154.2(4) . . . . ?
C14A C15A C16 O4 40.7(8) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139126625
