#------------------------------------------------------------------------------
#$Date: 2025-08-19 13:52:15 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301804 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/42/2214282.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2214282
loop_
_publ_author_name
'Chamayou, Anne-Christine'
'Biswas, Chaitali'
'Janiak, Christoph'
'Ghosh, Ashutosh'
_publ_section_title
;
 Tris(2,2'-bipyridine-κ²N,N')copper(II)
 bis(tetrafluoridoborate)
;
_journal_coeditor_code           IS2177
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1936
_journal_page_last               m1937
_journal_paper_doi               10.1107/S1600536807028863
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C10 H8 N2)3] (B F4)2'
_chemical_formula_moiety         'C30 H24 Cu N6 2+, 2(B F4 -)'
_chemical_formula_sum            'C30 H24 B2 Cu F8 N6'
_chemical_formula_weight         705.72
_chemical_name_systematic
;
Tris(2,2'-bipyridine-κ²N,N')copper(II)
bis(tetrafluoridoborate)
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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                101.1180(10)
_cell_angle_beta                 90.7500(10)
_cell_angle_gamma                98.0910(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8633(2)
_cell_length_b                   10.7810(2)
_cell_length_c                   18.3211(4)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      57.898
_cell_measurement_theta_min      4.875
_cell_volume                     1507.54(6)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Crystal Impact, 2006)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       ω
_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  0.0812
_diffrn_reflns_av_sigmaI/netI    0.1034
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35533
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_T_max  0.9547
_exptl_absorpt_correction_T_min  0.7991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             714
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.681
_refine_diff_density_min         -0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6145
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0361
_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)+(0.0432P)²+0.2354P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                4809
_reflns_number_total             6145
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2177.cif
_cod_data_source_block           I
_cod_database_code               2214282
_cod_database_fobs_code          2214282
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu 0.49641(3) 0.26662(2) 0.259958(10) 0.02981(9) Uani d . 1 . .
N N1 0.6154(2) 0.14377(15) 0.18640(7) 0.0324(4) Uani d . 1 . .
N N2 0.6720(2) 0.39431(15) 0.22253(7) 0.0323(4) Uani d . 1 . .
N N3 0.6455(2) 0.23049(16) 0.35676(8) 0.0362(4) Uani d . 1 . .
N N4 0.3385(2) 0.12645(15) 0.29363(8) 0.0351(4) Uani d . 1 . .
N N5 0.3100(2) 0.30720(16) 0.16155(8) 0.0356(4) Uani d . 1 . .
N N6 0.3548(2) 0.39973(15) 0.31069(7) 0.0317(4) Uani d . 1 . .
C C1 0.5892(3) 0.0164(2) 0.17581(10) 0.0410(5) Uani d . 1 . .
H H1A 0.5004 -0.0236 0.2009 0.049 Uiso calc R 1 . .
C C2 0.6876(3) -0.0589(2) 0.12940(11) 0.0506(6) Uani d . 1 . .
H H2A 0.6664 -0.1484 0.1233 0.061 Uiso calc R 1 . .
C C3 0.8163(3) -0.0012(3) 0.09252(12) 0.0569(7) Uani d . 1 . .
H H3A 0.8854 -0.0507 0.0610 0.068 Uiso calc R 1 . .
C C4 0.8438(3) 0.1303(2) 0.10199(11) 0.0507(6) Uani d . 1 . .
H H4A 0.9316 0.1713 0.0769 0.061 Uiso calc R 1 . .
C C5 0.7400(3) 0.2015(2) 0.14913(9) 0.0354(5) Uani d . 1 . .
C C6 0.7582(3) 0.3416(2) 0.16347(9) 0.0355(5) Uani d . 1 . .
C C7 0.8520(3) 0.4170(2) 0.12031(10) 0.0489(6) Uani d . 1 . .
H H7A 0.9077 0.3790 0.0786 0.059 Uiso calc R 1 . .
C C8 0.8627(3) 0.5479(3) 0.13910(12) 0.0543(6) Uani d . 1 . .
H H8A 0.9243 0.6002 0.1100 0.065 Uiso calc R 1 . .
C C9 0.7822(3) 0.6010(2) 0.20101(12) 0.0489(6) Uani d . 1 . .
H H9B 0.7917 0.6903 0.2158 0.059 Uiso calc R 1 . .
C C10 0.6867(3) 0.5218(2) 0.24154(11) 0.0397(5) Uani d . 1 . .
H H10A 0.6307 0.5587 0.2835 0.048 Uiso calc R 1 . .
C C11 0.1779(3) 0.0876(2) 0.26544(11) 0.0454(5) Uani d . 1 . .
H H11A 0.1367 0.1283 0.2292 0.055 Uiso calc R 1 . .
C C12 0.0703(3) -0.0097(2) 0.28738(12) 0.0560(6) Uani d . 1 . .
H H12A -0.0427 -0.0343 0.2671 0.067 Uiso calc R 1 . .
C C13 0.1320(4) -0.0700(2) 0.33951(13) 0.0621(7) Uani d . 1 . .
H H13A 0.0619 -0.1370 0.3554 0.074 Uiso calc R 1 . .
C C14 0.2974(4) -0.0314(2) 0.36820(11) 0.0552(7) Uani d . 1 . .
H H14A 0.3413 -0.0731 0.4033 0.066 Uiso calc R 1 . .
C C15 0.3999(3) 0.06876(18) 0.34562(9) 0.0391(5) Uani d . 1 . .
C C16 0.5772(3) 0.12056(19) 0.37568(9) 0.0390(5) Uani d . 1 . .
C C17 0.6688(4) 0.0604(2) 0.42061(11) 0.0513(6) Uani d . 1 . .
H H17A 0.6200 -0.0173 0.4329 0.062 Uiso calc R 1 . .
C C18 0.8314(4) 0.1164(3) 0.44662(12) 0.0572(7) Uani d . 1 . .
H H18A 0.8949 0.0773 0.4771 0.069 Uiso calc R 1 . .
C C19 0.9016(3) 0.2303(2) 0.42800(11) 0.0515(6) Uani d . 1 . .
H H19A 1.0126 0.2701 0.4455 0.062 Uiso calc R 1 . .
C C20 0.8033(3) 0.2841(2) 0.38278(10) 0.0436(5) Uani d . 1 . .
H H20A 0.8499 0.3617 0.3698 0.052 Uiso calc R 1 . .
C C21 0.2698(3) 0.46343(18) 0.26934(9) 0.0335(4) Uani d . 1 . .
C C22 0.1715(3) 0.5548(2) 0.30129(11) 0.0462(5) Uani d . 1 . .
H H22A 0.1144 0.5991 0.2715 0.055 Uiso calc R 1 . .
C C23 0.1587(3) 0.5800(2) 0.37805(11) 0.0517(6) Uani d . 1 . .
H H23A 0.0922 0.6414 0.4009 0.062 Uiso calc R 1 . .
C C24 0.2440(3) 0.5144(2) 0.42011(10) 0.0449(5) Uani d . 1 . .
H H24A 0.2360 0.5298 0.4721 0.054 Uiso calc R 1 . .
C C25 0.3416(3) 0.4256(2) 0.38535(9) 0.0375(5) Uani d . 1 . .
H H25A 0.4010 0.3816 0.4145 0.045 Uiso calc R 1 . .
C C26 0.2875(3) 0.5179(2) 0.14170(10) 0.0401(5) Uani d . 1 . .
H H26A 0.2726 0.6026 0.1616 0.048 Uiso calc R 1 . .
C C27 0.3104(3) 0.4783(2) 0.06585(11) 0.0462(5) Uani d . 1 . .
H H27A 0.3122 0.5363 0.0335 0.055 Uiso calc R 1 . .
C C28 0.3300(3) 0.3536(2) 0.03931(10) 0.0454(5) Uani d . 1 . .
H H28A 0.3433 0.3246 -0.0118 0.054 Uiso calc R 1 . .
C C29 0.3300(3) 0.2709(2) 0.08831(10) 0.0405(5) Uani d . 1 . .
H H29A 0.3447 0.1857 0.0695 0.049 Uiso calc R 1 . .
C C30 0.2876(2) 0.42833(19) 0.18674(9) 0.0321(4) Uani d . 1 . .
B B1 0.2109(4) 0.8267(2) 0.08406(13) 0.0473(6) Uani d . 1 . .
F F1 0.3396(2) 0.77651(16) 0.04220(9) 0.0756(5) Uani d . 1 . .
F F2 0.05285(19) 0.76224(13) 0.05089(7) 0.0608(4) Uani d . 1 . .
F F3 0.21961(19) 0.95517(12) 0.08408(7) 0.0577(4) Uani d . 1 . .
F F4 0.2248(3) 0.80748(14) 0.15576(7) 0.0805(5) Uani d . 1 . .
B B2 0.3042(3) 0.2767(2) 0.57012(12) 0.0416(6) Uani d . 1 . .
F F5 0.2891(2) 0.40217(15) 0.57208(9) 0.0755(5) Uani d . 1 A .
F F6A 0.3457(11) 0.2434(5) 0.6377(3) 0.103(3) Uani d P 0.40 A 1
F F7A 0.4247(8) 0.2392(6) 0.5222(4) 0.097(2) Uani d P 0.40 A 1
F F8A 0.1552(8) 0.1886(6) 0.5459(4) 0.099(2) Uani d P 0.40 A 1
F F6B 0.4403(5) 0.2725(4) 0.6134(2) 0.0805(12) Uani d P 0.60 A 2
F F7B 0.3161(7) 0.2142(5) 0.50027(17) 0.1027(16) Uani d P 0.60 A 2
F F8B 0.1604(5) 0.2332(4) 0.5983(3) 0.1105(16) Uani d P 0.60 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 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 '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_publ_flag
N4 Cu N2 174.08(6) y
N4 Cu N6 91.04(6) y
N2 Cu N6 94.81(6) y
N4 Cu N1 94.04(6) y
N2 Cu N1 80.47(6) y
N6 Cu N1 166.16(6) y
N4 Cu N3 77.31(7) y
N2 Cu N3 100.51(6) y
N6 Cu N3 101.71(6) y
N1 Cu N3 91.97(6) y
N4 Cu N5 99.13(6) y
N2 Cu N5 83.42(6) y
N6 Cu N5 74.14(6) y
N1 Cu N5 92.33(6) y
N3 Cu N5 174.61(6) y
C1 N1 C5 119.01(17) ?
C1 N1 Cu 126.67(13) ?
C5 N1 Cu 114.18(13) ?
C10 N2 C6 118.84(17) ?
C10 N2 Cu 126.24(13) ?
C6 N2 Cu 113.80(13) ?
C20 N3 C16 119.03(18) ?
C20 N3 Cu 128.30(13) ?
C16 N3 Cu 110.50(13) ?
C11 N4 C15 119.49(18) ?
C11 N4 Cu 122.36(14) ?
C15 N4 Cu 118.14(14) ?
C30 N5 C29 117.54(18) ?
C30 N5 Cu 102.31(11) ?
C29 N5 Cu 124.94(14) ?
C21 N6 C25 118.56(17) ?
C21 N6 Cu 119.66(11) ?
C25 N6 Cu 121.77(14) ?
N1 C1 C2 122.5(2) ?
N1 C1 H1A 118.8 ?
C2 C1 H1A 118.8 ?
C3 C2 C1 119.0(2) ?
C3 C2 H2A 120.5 ?
C1 C2 H2A 120.5 ?
C2 C3 C4 119.4(2) ?
C2 C3 H3A 120.3 ?
C4 C3 H3A 120.3 ?
C3 C4 C5 119.2(2) ?
C3 C4 H4A 120.4 ?
C5 C4 H4A 120.4 ?
N1 C5 C4 120.9(2) ?
N1 C5 C6 115.26(16) ?
C4 C5 C6 123.83(19) ?
N2 C6 C7 121.2(2) ?
N2 C6 C5 114.73(16) ?
C7 C6 C5 124.03(18) ?
C8 C7 C6 119.5(2) ?
C8 C7 H7A 120.3 ?
C6 C7 H7A 120.3 ?
C9 C8 C7 119.1(2) ?
C9 C8 H8A 120.5 ?
C7 C8 H8A 120.5 ?
C8 C9 C10 119.4(2) ?
C8 C9 H9B 120.3 ?
C10 C9 H9B 120.3 ?
N2 C10 C9 121.8(2) ?
N2 C10 H10A 119.1 ?
C9 C10 H10A 119.1 ?
N4 C11 C12 122.6(2) ?
N4 C11 H11A 118.7 ?
C12 C11 H11A 118.7 ?
C13 C12 C11 118.4(2) ?
C13 C12 H12A 120.8 ?
C11 C12 H12A 120.8 ?
C14 C13 C12 119.3(2) ?
C14 C13 H13A 120.3 ?
C12 C13 H13A 120.3 ?
C13 C14 C15 120.3(2) ?
C13 C14 H14A 119.8 ?
C15 C14 H14A 119.8 ?
N4 C15 C14 119.9(2) ?
N4 C15 C16 115.94(17) ?
C14 C15 C16 124.2(2) ?
N3 C16 C17 121.4(2) ?
N3 C16 C15 115.58(18) ?
C17 C16 C15 123.0(2) ?
C18 C17 C16 118.8(2) ?
C18 C17 H17A 120.6 ?
C16 C17 H17A 120.6 ?
C17 C18 C19 120.0(2) ?
C17 C18 H18A 120.0 ?
C19 C18 H18A 120.0 ?
C18 C19 C20 117.9(2) ?
C18 C19 H19A 121.0 ?
C20 C19 H19A 121.0 ?
N3 C20 C19 122.8(2) ?
N3 C20 H20A 118.6 ?
C19 C20 H20A 118.6 ?
N6 C21 C22 121.80(16) ?
N6 C21 C30 115.75(17) ?
C22 C21 C30 122.44(18) ?
C21 C22 C23 119.0(2) ?
C21 C22 H22A 120.5 ?
C23 C22 H22A 120.5 ?
C24 C23 C22 119.2(2) ?
C24 C23 H23A 120.4 ?
C22 C23 H23A 120.4 ?
C23 C24 C25 119.25(18) ?
C23 C24 H24A 120.4 ?
C25 C24 H24A 120.4 ?
N6 C25 C24 122.2(2) ?
N6 C25 H25A 118.9 ?
C24 C25 H25A 118.9 ?
C30 C26 C27 117.9(2) ?
C30 C26 H26A 121.1 ?
C27 C26 H26A 121.1 ?
C28 C27 C26 118.9(2) ?
C28 C27 H27A 120.5 ?
C26 C27 H27A 120.5 ?
C27 C28 C29 119.40(18) ?
C27 C28 H28A 120.3 ?
C29 C28 H28A 120.3 ?
N5 C29 C28 122.7(2) ?
N5 C29 H29A 118.7 ?
C28 C29 H29A 118.7 ?
N5 C30 C26 123.60(16) ?
N5 C30 C21 114.84(17) ?
C26 C30 C21 121.51(18) ?
F4 B1 F3 110.12(18) ?
F4 B1 F1 110.1(2) ?
F3 B1 F1 110.5(2) ?
F4 B1 F2 109.4(2) ?
F3 B1 F2 109.2(2) ?
F1 B1 F2 107.39(18) ?
F8B B2 F6B 111.3(3) ?
F8B B2 F7B 110.6(4) ?
F6B B2 F7B 112.2(3) ?
F8B B2 F5 103.0(3) ?
F6B B2 F5 108.2(3) ?
F7B B2 F5 111.2(3) ?
F7A B2 F5 110.5(4) ?
F7A B2 F6A 106.7(5) ?
F5 B2 F6A 116.9(3) ?
F7A B2 F8A 104.6(4) ?
F5 B2 F8A 115.6(3) ?
F6A B2 F8A 101.4(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu N4 2.0144(16) y
Cu N2 2.0309(16) y
Cu N6 2.0313(16) y
Cu N1 2.0347(15) y
Cu N3 2.2388(16) y
Cu N5 2.4506(16) y
N1 C1 1.335(3) ?
N1 C5 1.350(2) ?
N2 C10 1.339(3) ?
N2 C6 1.358(2) ?
N3 C20 1.333(3) ?
N3 C16 1.341(3) ?
N4 C11 1.337(3) ?
N4 C15 1.352(3) ?
N5 C30 1.336(2) ?
N5 C29 1.341(2) ?
N6 C21 1.345(3) ?
N6 C25 1.351(2) ?
C1 C2 1.381(3) ?
C1 H1A 0.9400 ?
C2 C3 1.368(4) ?
C2 H2A 0.9400 ?
C3 C4 1.380(4) ?
C3 H3A 0.9400 ?
C4 C5 1.393(3) ?
C4 H4A 0.9400 ?
C5 C6 1.468(3) ?
C6 C7 1.387(3) ?
C7 C8 1.377(3) ?
C7 H7A 0.9400 ?
C8 C9 1.373(3) ?
C8 H8A 0.9400 ?
C9 C10 1.387(3) ?
C9 H9B 0.9400 ?
C10 H10A 0.9400 ?
C11 C12 1.379(3) ?
C11 H11A 0.9400 ?
C12 C13 1.373(4) ?
C12 H12A 0.9400 ?
C13 C14 1.373(4) ?
C13 H13A 0.9400 ?
C14 C15 1.387(3) ?
C14 H14A 0.9400 ?
C15 C16 1.483(3) ?
C16 C17 1.392(3) ?
C17 C18 1.372(4) ?
C17 H17A 0.9400 ?
C18 C19 1.380(3) ?
C18 H18A 0.9400 ?
C19 C20 1.383(3) ?
C19 H19A 0.9400 ?
C20 H20A 0.9400 ?
C21 C22 1.383(3) ?
C21 C30 1.501(2) ?
C22 C23 1.388(3) ?
C22 H22A 0.9400 ?
C23 C24 1.369(3) ?
C23 H23A 0.9400 ?
C24 C25 1.377(3) ?
C24 H24A 0.9400 ?
C25 H25A 0.9400 ?
C26 C30 1.386(3) ?
C26 C27 1.395(3) ?
C26 H26A 0.9400 ?
C27 C28 1.370(3) ?
C27 H27A 0.9400 ?
C28 C29 1.382(3) ?
C28 H28A 0.9400 ?
C29 H29A 0.9400 ?
B1 F4 1.374(3) ?
B1 F3 1.377(3) ?
B1 F1 1.386(3) ?
B1 F2 1.404(3) ?
B2 F8B 1.313(4) ?
B2 F6B 1.334(4) ?
B2 F7B 1.337(4) ?
B2 F7A 1.351(5) ?
B2 F5 1.368(3) ?
B2 F6A 1.402(5) ?
B2 F8A 1.409(6) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C3 H3A F2 1_645 0.94 2.54 3.342(3) 144
C8 H8A F2 1_655 0.94 2.35 3.274(3) 169
C10 H10A F6B 2_666 0.94 2.49 3.376(4) 158
C13 H13A F8B 2_556 0.94 2.17 3.063(5) 158
C26 H26A F4 . 0.94 2.31 3.191(3) 155
C27 H27A F1 . 0.94 2.54 3.303(3) 138
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139072497
