#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/01/7000104.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_7000104
loop_
_publ_author_name
'Schnepf, Andreas'
'Drost, Christian'
_publ_section_title
;
 Ge8R6: the ligands define the bonding situation within the cluster
 core.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3277
_journal_page_last               3280
_journal_paper_doi               10.1039/b508379f
_journal_year                    2005
_chemical_formula_sum            'C42 H63 Br Ge O6'
_chemical_formula_weight         816.42
_chemical_name_systematic
;
?
;
_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                90.49(3)
_cell_angle_beta                 90.97(3)
_cell_angle_gamma                107.26(3)
_cell_formula_units_Z            2
_cell_length_a                   10.042(2)
_cell_length_b                   12.137(2)
_cell_length_c                   17.962(4)
_cell_measurement_reflns_used    51234
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      1.76
_cell_volume                     2090.1(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      149(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_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  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22843
_diffrn_reflns_theta_full        27.06
_diffrn_reflns_theta_max         27.06
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    1.732
_exptl_absorpt_correction_T_max  0.6492
_exptl_absorpt_correction_T_min  0.3711
_exptl_absorpt_correction_type   numeric
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.538
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0352
_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)+(0.0525P)²+2.2864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1038
_reflns_number_gt                7861
_reflns_number_total             8495
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b508379f.txt
_cod_data_source_block           fh2p
_cod_original_cell_volume        2090.0(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000104
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
Ge1 Ge 0.21400(2) 0.173978(19) 0.260194(12) 0.01852(7) Uani 1 1 d . . .
Br1 Br -0.01544(2) 0.19107(2) 0.267228(13) 0.02907(8) Uani 1 1 d . . .
O1 O 0.2860(2) -0.04855(15) 0.30155(9) 0.0280(4) Uani 1 1 d . . .
O2 O 0.1827(2) 0.26650(14) 0.40508(9) 0.0280(4) Uani 1 1 d . . .
O3 O 0.02085(18) -0.05645(16) 0.22255(9) 0.0285(4) Uani 1 1 d . . .
O4 O 0.40891(18) 0.21128(15) 0.12351(9) 0.0294(4) Uani 1 1 d . . .
O5 O 0.48368(17) 0.31756(16) 0.35591(9) 0.0259(4) Uani 1 1 d . . .
O6 O 0.19839(18) 0.35064(15) 0.14942(9) 0.0270(4) Uani 1 1 d . . .
C1 C 0.2268(2) 0.10375(19) 0.35675(12) 0.0209(4) Uani 1 1 d . . .
C2 C 0.2524(3) -0.0029(2) 0.36549(13) 0.0249(5) Uani 1 1 d . . .
C3 C 0.2450(3) -0.0522(2) 0.43570(15) 0.0363(6) Uani 1 1 d . . .
H3 H 0.2610 -0.1250 0.4418 0.044 Uiso 1 1 calc R . .
C4 C 0.2144(4) 0.0056(3) 0.49594(15) 0.0427(7) Uani 1 1 d . . .
H4 H 0.2072 -0.0293 0.5434 0.051 Uiso 1 1 calc R . .
C5 C 0.1936(4) 0.1129(2) 0.48998(14) 0.0387(7) Uani 1 1 d . . .
H5 H 0.1751 0.1522 0.5327 0.046 Uiso 1 1 calc R . .
C6 C 0.2006(3) 0.1618(2) 0.41983(13) 0.0258(5) Uani 1 1 d . . .
C7 C 0.1817(3) 0.3546(2) 0.45995(13) 0.0283(5) Uani 1 1 d . . .
C7C C 0.1830(3) 0.4567(2) 0.41146(16) 0.0356(6) Uani 1 1 d . . .
H7C1 H 0.2679 0.4778 0.3820 0.053 Uiso 1 1 calc R . .
H7C2 H 0.1811 0.5224 0.4431 0.053 Uiso 1 1 calc R . .
H7C3 H 0.1010 0.4359 0.3780 0.053 Uiso 1 1 calc R . .
C7B C 0.0481(3) 0.3209(3) 0.50425(17) 0.0415(7) Uani 1 1 d . . .
H7B1 H -0.0325 0.2959 0.4699 0.062 Uiso 1 1 calc R . .
H7B2 H 0.0419 0.3874 0.5337 0.062 Uiso 1 1 calc R . .
H7B3 H 0.0488 0.2575 0.5376 0.062 Uiso 1 1 calc R . .
C7A C 0.3128(4) 0.3831(3) 0.50876(17) 0.0438(7) Uani 1 1 d . . .
H7A1 H 0.3035 0.3229 0.5460 0.066 Uiso 1 1 calc R . .
H7A2 H 0.3258 0.4576 0.5340 0.066 Uiso 1 1 calc R . .
H7A3 H 0.3935 0.3873 0.4778 0.066 Uiso 1 1 calc R . .
C8 C 0.3348(3) -0.1499(2) 0.29692(15) 0.0313(5) Uani 1 1 d . . .
C8C C 0.4698(3) -0.1329(3) 0.34178(19) 0.0433(7) Uani 1 1 d . . .
H8C1 H 0.5416 -0.0656 0.3233 0.065 Uiso 1 1 calc R . .
H8C2 H 0.5012 -0.2017 0.3365 0.065 Uiso 1 1 calc R . .
H8C3 H 0.4536 -0.1205 0.3944 0.065 Uiso 1 1 calc R . .
C8B C 0.3630(4) -0.1536(3) 0.21423(16) 0.0426(7) Uani 1 1 d . . .
H8B1 H 0.2755 -0.1662 0.1858 0.064 Uiso 1 1 calc R . .
H8B2 H 0.4024 -0.2168 0.2038 0.064 Uiso 1 1 calc R . .
H8B3 H 0.4292 -0.0803 0.1998 0.064 Uiso 1 1 calc R . .
C8A C 0.2229(4) -0.2591(2) 0.3187(2) 0.0455(7) Uani 1 1 d . . .
H8A1 H 0.2160 -0.2619 0.3731 0.068 Uiso 1 1 calc R . .
H8A2 H 0.2475 -0.3267 0.3005 0.068 Uiso 1 1 calc R . .
H8A3 H 0.1330 -0.2590 0.2966 0.068 Uiso 1 1 calc R . .
C10 C 0.2044(2) 0.08159(19) 0.16873(12) 0.0205(4) Uani 1 1 d . . .
C11 C 0.0936(2) -0.0203(2) 0.15948(13) 0.0249(5) Uani 1 1 d . . .
C12 C 0.0674(3) -0.0789(2) 0.09159(15) 0.0347(6) Uani 1 1 d . . .
H12 H -0.0105 -0.1458 0.0853 0.042 Uiso 1 1 calc R . .
C13 C 0.1555(3) -0.0389(3) 0.03367(15) 0.0367(6) Uani 1 1 d . . .
H13 H 0.1367 -0.0779 -0.0131 0.044 Uiso 1 1 calc R . .
C14 C 0.2709(3) 0.0569(2) 0.04197(14) 0.0313(5) Uani 1 1 d . . .
H14 H 0.3325 0.0816 0.0018 0.038 Uiso 1 1 calc R . .
C15 C 0.2964(2) 0.1171(2) 0.10959(13) 0.0239(5) Uani 1 1 d . . .
C16C C -0.2206(3) -0.0962(3) 0.17749(17) 0.0419(7) Uani 1 1 d . . .
H16A H -0.2165 -0.0179 0.1935 0.063 Uiso 1 1 calc R . .
H16B H -0.3153 -0.1478 0.1838 0.063 Uiso 1 1 calc R . .
H16C H -0.1957 -0.0958 0.1249 0.063 Uiso 1 1 calc R . .
C16 C -0.1188(3) -0.1382(3) 0.22420(15) 0.0344(6) Uani 1 1 d . . .
C16B C -0.1499(3) -0.1350(3) 0.30647(16) 0.0428(7) Uani 1 1 d . . .
H16D H -0.0776 -0.1555 0.3357 0.064 Uiso 1 1 calc R . .
H16E H -0.2410 -0.1903 0.3161 0.064 Uiso 1 1 calc R . .
H16F H -0.1511 -0.0572 0.3207 0.064 Uiso 1 1 calc R . .
C16A C -0.1202(4) -0.2611(3) 0.2013(2) 0.0515(8) Uani 1 1 d . . .
H16G H -0.1304 -0.2700 0.1471 0.077 Uiso 1 1 calc R . .
H16H H -0.1986 -0.3174 0.2248 0.077 Uiso 1 1 calc R . .
H16I H -0.0325 -0.2742 0.2176 0.077 Uiso 1 1 calc R . .
C17 C 0.5122(3) 0.2646(2) 0.06812(15) 0.0338(6) Uani 1 1 d . . .
C17C C 0.5957(3) 0.1853(3) 0.0453(2) 0.0556(9) Uani 1 1 d . . .
H17A H 0.6207 0.1484 0.0895 0.083 Uiso 1 1 calc R . .
H17B H 0.6809 0.2301 0.0209 0.083 Uiso 1 1 calc R . .
H17C H 0.5399 0.1260 0.0107 0.083 Uiso 1 1 calc R . .
C17B C 0.6069(4) 0.3666(3) 0.11033(19) 0.0517(9) Uani 1 1 d . . .
H17D H 0.5526 0.4167 0.1275 0.078 Uiso 1 1 calc R . .
H17E H 0.6806 0.4100 0.0776 0.078 Uiso 1 1 calc R . .
H17F H 0.6489 0.3394 0.1534 0.078 Uiso 1 1 calc R . .
C17A C 0.4440(4) 0.3076(3) 0.0024(2) 0.0538(9) Uani 1 1 d . . .
H17G H 0.4058 0.2440 -0.0333 0.081 Uiso 1 1 calc R . .
H17H H 0.5138 0.3701 -0.0221 0.081 Uiso 1 1 calc R . .
H17I H 0.3686 0.3363 0.0203 0.081 Uiso 1 1 calc R . .
C20 C 0.3357(2) 0.3339(2) 0.25278(12) 0.0210(4) Uani 1 1 d . . .
C21 C 0.4500(2) 0.3823(2) 0.30031(12) 0.0228(4) Uani 1 1 d . . .
C22 C 0.5225(3) 0.4995(2) 0.29813(14) 0.0290(5) Uani 1 1 d . . .
H22 H 0.5986 0.5317 0.3316 0.035 Uiso 1 1 calc R . .
C23 C 0.4827(3) 0.5684(2) 0.24692(16) 0.0333(5) Uani 1 1 d . . .
H23 H 0.5315 0.6484 0.2456 0.040 Uiso 1 1 calc R . .
C24 C 0.3726(3) 0.5224(2) 0.19743(15) 0.0317(5) Uani 1 1 d . . .
H24 H 0.3467 0.5706 0.1622 0.038 Uiso 1 1 calc R . .
C25 C 0.3002(2) 0.4058(2) 0.19936(13) 0.0240(5) Uani 1 1 d . . .
C26 C 0.1050(3) 0.4043(2) 0.11115(15) 0.0327(6) Uani 1 1 d . . .
C26C C -0.0008(3) 0.3010(3) 0.07573(16) 0.0407(7) Uani 1 1 d . . .
H26A H 0.0473 0.2573 0.0458 0.061 Uiso 1 1 calc R . .
H26B H -0.0652 0.3271 0.0437 0.061 Uiso 1 1 calc R . .
H26C H -0.0533 0.2515 0.1147 0.061 Uiso 1 1 calc R . .
C26B C 0.1806(3) 0.4809(3) 0.04800(19) 0.0513(9) Uani 1 1 d . . .
H26D H 0.2377 0.5552 0.0687 0.077 Uiso 1 1 calc R . .
H26E H 0.1118 0.4938 0.0125 0.077 Uiso 1 1 calc R . .
H26F H 0.2406 0.4427 0.0225 0.077 Uiso 1 1 calc R . .
C26A C 0.0388(3) 0.4686(3) 0.1635(2) 0.0458(7) Uani 1 1 d . . .
H26G H 0.0025 0.4202 0.2063 0.069 Uiso 1 1 calc R . .
H26H H -0.0379 0.4879 0.1376 0.069 Uiso 1 1 calc R . .
H26I H 0.1085 0.5397 0.1807 0.069 Uiso 1 1 calc R . .
C27 C 0.6051(3) 0.2751(2) 0.34945(14) 0.0288(5) Uani 1 1 d . . .
C27C C 0.5788(3) 0.1866(2) 0.28623(16) 0.0331(5) Uani 1 1 d . . .
H27A H 0.4959 0.1223 0.2967 0.050 Uiso 1 1 calc R . .
H27B H 0.6597 0.1577 0.2817 0.050 Uiso 1 1 calc R . .
H27C H 0.5639 0.2228 0.2395 0.050 Uiso 1 1 calc R . .
C27B C 0.7395(3) 0.3713(3) 0.33725(17) 0.0358(6) Uani 1 1 d . . .
H27D H 0.7335 0.4077 0.2893 0.054 Uiso 1 1 calc R . .
H27E H 0.8183 0.3393 0.3372 0.054 Uiso 1 1 calc R . .
H27F H 0.7532 0.4291 0.3774 0.054 Uiso 1 1 calc R . .
C27A C 0.6093(3) 0.2190(3) 0.42428(17) 0.0447(7) Uani 1 1 d . . .
H27G H 0.6253 0.2776 0.4640 0.067 Uiso 1 1 calc R . .
H27H H 0.6850 0.1834 0.4252 0.067 Uiso 1 1 calc R . .
H27I H 0.5202 0.1597 0.4320 0.067 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
C1 Ge1 C10 119.18(9) . . ?
C1 Ge1 C20 113.83(10) . . ?
C10 Ge1 C20 113.65(9) . . ?
C1 Ge1 Br1 99.63(7) . . ?
C10 Ge1 Br1 102.83(7) . . ?
C20 Ge1 Br1 104.67(7) . . ?
C2 O1 C8 125.27(19) . . ?
C6 O2 C7 125.78(18) . . ?
C11 O3 C16 124.7(2) . . ?
C15 O4 C17 124.07(19) . . ?
C21 O5 C27 120.52(17) . . ?
C25 O6 C26 124.6(2) . . ?
C6 C1 C2 118.9(2) . . ?
C6 C1 Ge1 116.95(16) . . ?
C2 C1 Ge1 124.01(17) . . ?
O1 C2 C3 125.5(2) . . ?
O1 C2 C1 114.38(19) . . ?
C3 C2 C1 120.1(2) . . ?
C4 C3 C2 119.2(2) . . ?
C3 C4 C5 122.4(2) . . ?
C4 C5 C6 118.3(2) . . ?
O2 C6 C5 125.2(2) . . ?
O2 C6 C1 113.85(19) . . ?
C5 C6 C1 121.0(2) . . ?
O2 C7 C7C 102.15(19) . . ?
O2 C7 C7A 110.5(2) . . ?
C7C C7 C7A 110.0(2) . . ?
O2 C7 C7B 111.3(2) . . ?
C7C C7 C7B 109.1(2) . . ?
C7A C7 C7B 113.2(2) . . ?
O1 C8 C8B 101.1(2) . . ?
O1 C8 C8A 112.0(2) . . ?
C8B C8 C8A 110.0(3) . . ?
O1 C8 C8C 111.5(2) . . ?
C8B C8 C8C 109.9(2) . . ?
C8A C8 C8C 111.9(2) . . ?
C11 C10 C15 118.2(2) . . ?
C11 C10 Ge1 118.38(16) . . ?
C15 C10 Ge1 123.20(18) . . ?
O3 C11 C12 124.6(2) . . ?
O3 C11 C10 114.2(2) . . ?
C12 C11 C10 121.1(2) . . ?
C13 C12 C11 119.1(2) . . ?
C12 C13 C14 121.5(2) . . ?
C13 C14 C15 119.6(2) . . ?
O4 C15 C14 123.8(2) . . ?
O4 C15 C10 116.0(2) . . ?
C14 C15 C10 120.2(2) . . ?
O3 C16 C16C 110.9(2) . . ?
O3 C16 C16B 100.8(2) . . ?
C16C C16 C16B 111.1(2) . . ?
O3 C16 C16A 112.2(2) . . ?
C16C C16 C16A 111.8(3) . . ?
C16B C16 C16A 109.5(3) . . ?
O4 C17 C17B 102.5(2) . . ?
O4 C17 C17C 111.5(2) . . ?
C17B C17 C17C 108.9(3) . . ?
O4 C17 C17A 110.8(2) . . ?
C17B C17 C17A 109.2(3) . . ?
C17C C17 C17A 113.4(3) . . ?
C21 C20 C25 118.1(2) . . ?
C21 C20 Ge1 123.71(17) . . ?
C25 C20 Ge1 118.11(17) . . ?
O5 C21 C22 118.3(2) . . ?
O5 C21 C20 120.2(2) . . ?
C22 C21 C20 121.1(2) . . ?
C23 C22 C21 119.4(2) . . ?
C22 C23 C24 120.8(2) . . ?
C23 C24 C25 119.9(2) . . ?
O6 C25 C24 124.4(2) . . ?
O6 C25 C20 115.0(2) . . ?
C24 C25 C20 120.5(2) . . ?
O6 C26 C26A 112.5(2) . . ?
O6 C26 C26C 101.7(2) . . ?
C26A C26 C26C 112.0(2) . . ?
O6 C26 C26B 110.6(2) . . ?
C26A C26 C26B 112.0(3) . . ?
C26C C26 C26B 107.4(2) . . ?
O5 C27 C27A 102.4(2) . . ?
O5 C27 C27B 112.7(2) . . ?
C27A C27 C27B 110.8(2) . . ?
O5 C27 C27C 109.1(2) . . ?
C27A C27 C27C 111.2(2) . . ?
C27B C27 C27C 110.4(2) . . ?
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
Ge1 C1 1.958(2) . ?
Ge1 C10 1.966(2) . ?
Ge1 C20 1.970(2) . ?
Ge1 Br1 2.3791(6) . ?
O1 C2 1.362(3) . ?
O1 C8 1.455(3) . ?
O2 C6 1.363(3) . ?
O2 C7 1.451(3) . ?
O3 C11 1.362(3) . ?
O3 C16 1.459(3) . ?
O4 C15 1.366(3) . ?
O4 C17 1.460(3) . ?
O5 C21 1.375(3) . ?
O5 C27 1.464(3) . ?
O6 C25 1.361(3) . ?
O6 C26 1.457(3) . ?
C1 C6 1.398(3) . ?
C1 C2 1.402(3) . ?
C2 C3 1.394(3) . ?
C3 C4 1.373(4) . ?
C4 C5 1.383(4) . ?
C5 C6 1.391(3) . ?
C7 C7C 1.518(4) . ?
C7 C7A 1.518(4) . ?
C7 C7B 1.522(4) . ?
C8 C8B 1.519(4) . ?
C8 C8A 1.520(4) . ?
C8 C8C 1.525(4) . ?
C10 C11 1.403(3) . ?
C10 C15 1.404(3) . ?
C11 C12 1.388(4) . ?
C12 C13 1.373(4) . ?
C13 C14 1.381(4) . ?
C14 C15 1.392(3) . ?
C16C C16 1.515(4) . ?
C16 C16B 1.518(4) . ?
C16 C16A 1.540(4) . ?
C17 C17B 1.508(4) . ?
C17 C17C 1.510(4) . ?
C17 C17A 1.527(4) . ?
C20 C21 1.396(3) . ?
C20 C25 1.413(3) . ?
C21 C22 1.394(4) . ?
C22 C23 1.379(4) . ?
C23 C24 1.384(4) . ?
C24 C25 1.387(4) . ?
C26 C26A 1.501(4) . ?
C26 C26C 1.510(4) . ?
C26 C26B 1.535(4) . ?
C27 C27A 1.518(4) . ?
C27 C27B 1.521(4) . ?
C27 C27C 1.521(4) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652566
