##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2005-11-23
_journal_date_accepted     2005-12-13
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue      1
_journal_page_first     o274
_journal_page_last     o275
_journal_paper_category     EO
_journal_coeditor_code     KP6073
_publ_contact_author_name     'Dr Bernard Marciniak'
_publ_contact_author_address
;
 Institute of Chemistry and Environment Protection
 Pedagogical University of Czestochowa
 al. Armii Krajowej 13/15
 42-200 Czestochowa
 Poland
;
_publ_contact_author_email     crystal@cz.onet.pl
_publ_section_title
;
1-(N,N-Diethylamino)-2,3-diphenylcyclopropenylium
tetrafluoroborate
;
loop_
    _publ_author_name
    _publ_author_address
    'Rozycka-Sokolowska, Ewa'
;
 Institute of Chemistry and Environment Protection
 Jan Dlugosz Academy
 al. Armii Krajowej 13/15
 42-200 Czestochowa
 Poland
;
    'Girek, Tomasz'
;
 Institute of Chemistry and Environment Protection
 Jan Dlugosz Academy
 al. Armii Krajowej 13/15
 42-200 Czestochowa
 Poland
;
    'Marciniak, Bernard'
;
 Institute of Chemistry and Environment Protection
 Jan Dlugosz Academy
 al. Armii Krajowej 13/15
 42-200 Czestochowa
 Poland
;
    'Pavlyuk, Volodymyr'
;
 Institute of Chemistry and Environment Protection
 Jan Dlugosz Academy
 al. Armii Krajowej 13/15
 42-200 Czestochowa
 Poland
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
1-(N,N-Diethylamino)-2,3-diphenylcyclopropenylium tetrafluoroborate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C19 H20 N +, B F4 -'
_chemical_formula_sum     'C19 H20 B F4 N'
_chemical_formula_iupac     'C19 H20 N +, B F4 -'
_chemical_formula_weight     349.17
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     14.216(3)
_cell_length_b     8.004(2)
_cell_length_c     18.5010(10)
_cell_angle_alpha     90.00
_cell_angle_beta     121.19(3)
_cell_angle_gamma     90.00
_cell_volume     1800.9(8)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     30
_cell_measurement_theta_min     5
_cell_measurement_theta_max     15
_cell_measurement_temperature     293(2)
_exptl_crystal_description     'tabular'
_exptl_crystal_colour     'colourless'
_exptl_crystal_size_max     0.50
_exptl_crystal_size_mid     0.34
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.288
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     728
_exptl_absorpt_coefficient_mu     0.103
_exptl_absorpt_correction_type     refdelf
_exptl_absorpt_process_details     '(DIFABS; Walker & Stuart,1983)'
_exptl_absorpt_correction_T_min     .979
_exptl_absorpt_correction_T_max     .997
_exptl_special_details
;
?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source     'BSW x-ray tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'DARCH-1'
_diffrn_measurement_method     'w-2theta scan'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     4116
_diffrn_reflns_av_R_equivalents     0.0000
_diffrn_reflns_av_sigmaI/netI     0.0248
_diffrn_reflns_theta_min     1.67
_diffrn_reflns_theta_max     27.45
_diffrn_reflns_theta_full     27.45
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -18
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     23
_diffrn_standards_number     3
_diffrn_standards_interval_count     100
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     2.5
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4116
_reflns_number_gt     2076
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0671
_refine_ls_R_factor_gt     0.0378
_refine_ls_wR_factor_gt     0.1048
_refine_ls_wR_factor_ref     0.1209
_refine_ls_goodness_of_fit_ref     0.805
_refine_ls_restrained_S_all     0.805
_refine_ls_number_reflns     4116
_refine_ls_number_parameters     231
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'calc w = 1/[σ²(Fo²)+(0.0553P)²] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.111
_refine_diff_density_min     -0.134
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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 0.0000
                         '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 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'F' 'F' 0.0171 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'DARCH Package (Burevestnik, 1991)'
_computing_cell_refinement     'DARCH Package'
_computing_data_reduction     'DARCH Package'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1990)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 (Farrugia,1997)'
_computing_publication_material     SHELXL97
loop_
    _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
    _atom_site_type_symbol
    N1 0.30027(10) -0.01960(16) 0.09064(8) 0.0956(3) Uani d . 1 . . N
    F1 0.29763(11) 0.42283(19) 0.10553(8) 0.1647(5) Uani d . 1 . . F
    F2 0.23338(12) 0.58715(16) 0.16939(9) 0.1581(5) Uani d . 1 . . F
    F3 0.15700(11) 0.34008(18) 0.11690(9) 0.1723(6) Uani d . 1 . . F
    F4 0.32390(12) 0.35936(18) 0.23299(9) 0.1663(5) Uani d . 1 . . F
    B1 0.2528(2) 0.4276(3) 0.15461(18) 0.1312(7) Uani d . 1 . . B
    C1 0.38796(12) 0.15154(17) 0.02016(9) 0.0902(4) Uani d . 1 . . C
    C2 0.27902(12) 0.17673(18) -0.02842(9) 0.0910(4) Uani d . 1 . . C
    C3 0.31844(12) 0.07670(18) 0.04246(9) 0.0906(4) Uani d . 1 . . C
    C4 0.39081(14) -0.1018(2) 0.16554(10) 0.1054(5) Uani d . 1 . . C
    H4A 0.4552 -0.1043 0.1603 0.156(4) Uiso calc R 1 . . H
    H4B 0.3702 -0.2163 0.1677 0.156(4) Uiso calc R 1 . . H
    C5 0.41936(16) -0.0166(3) 0.24561(11) 0.1329(6) Uani d . 1 . . C
    H5A 0.4390 0.0974 0.2437 0.170(3) Uiso calc R 1 . . H
    H5B 0.4803 -0.0727 0.2922 0.170(3) Uiso calc R 1 . . H
    H5C 0.3572 -0.0192 0.2528 0.170(3) Uiso calc R 1 . . H
    C6 0.18597(13) -0.0468(2) 0.07090(11) 0.1075(5) Uani d . 1 . . C
    H6A 0.1884 -0.0962 0.1197 0.156(4) Uiso calc R 1 . . H
    H6B 0.1494 0.0605 0.0603 0.156(4) Uiso calc R 1 . . H
    C7 0.12173(14) -0.1547(3) -0.00214(12) 0.1311(7) Uani d . 1 . . C
    H7A 0.1124 -0.1012 -0.0519 0.170(3) Uiso calc R 1 . . H
    H7B 0.0510 -0.1750 -0.0090 0.170(3) Uiso calc R 1 . . H
    H7C 0.1595 -0.2589 0.0064 0.170(3) Uiso calc R 1 . . H
    C8 0.49724(12) 0.19413(17) 0.03963(9) 0.0884(4) Uani d . 1 . . C
    C9 0.58897(13) 0.1518(2) 0.11714(10) 0.1013(4) Uani d . 1 . . C
    H9 0.5807 0.0869 0.1552 0.144(2) Uiso calc R 1 . . H
    C10 0.69187(14) 0.2058(2) 0.13773(12) 0.1121(5) Uani d . 1 . . C
    H10 0.7528 0.1788 0.1900 0.144(2) Uiso calc R 1 . . H
    C11 0.70464(15) 0.2987(2) 0.08153(13) 0.1119(5) Uani d . 1 . . C
    H11 0.7744 0.3349 0.0959 0.144(2) Uiso calc R 1 . . H
    C12 0.61567(17) 0.3394(2) 0.00420(13) 0.1137(5) Uani d . 1 . . C
    H12 0.6250 0.4015 -0.0341 0.144(2) Uiso calc R 1 . . H
    C13 0.51191(14) 0.2872(2) -0.01647(11) 0.1025(4) Uani d . 1 . . C
    H13 0.4514 0.3153 -0.0688 0.144(2) Uiso calc R 1 . . H
    C14 0.18897(11) 0.26034(19) -0.10059(9) 0.0895(4) Uani d . 1 . . C
    C15 0.19179(13) 0.2839(2) -0.17372(9) 0.0998(4) Uani d . 1 . . C
    H15 0.2515 0.2459 -0.1767 0.144(2) Uiso calc R 1 . . H
    C16 0.10669(15) 0.3629(2) -0.24119(11) 0.1141(5) Uani d . 1 . . C
    H16 0.1077 0.3764 -0.2907 0.144(2) Uiso calc R 1 . . H
    C17 0.02026(15) 0.4222(2) -0.23651(11) 0.1211(6) Uani d . 1 . . C
    H17 -0.0369 0.4768 -0.2829 0.144(2) Uiso calc R 1 . . H
    C18 0.01606(14) 0.4031(2) -0.16545(12) 0.1192(6) Uani d . 1 . . C
    H18 -0.0428 0.4462 -0.1628 0.144(2) Uiso calc R 1 . . H
    C19 0.09981(13) 0.3190(2) -0.09676(10) 0.1049(5) Uani d . 1 . . C
    H19 0.0963 0.3021 -0.0485 0.144(2) Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    N1 C3 . 1.3014(18) ?
    N1 C4 . 1.470(2) ?
    N1 C6 . 1.4855(19) ?
    F1 B1 . 1.354(3) ?
    F2 B1 . 1.364(3) ?
    F3 F3 1 0.000(3) ?
    F3 B1 . 1.359(3) ?
    F4 B1 . 1.380(3) ?
    B1 F3 1 1.359(3) ?
    C1 C2 . 1.344(2) ?
    C1 C3 . 1.388(2) ?
    C1 C8 . 1.442(2) ?
    C2 C3 . 1.383(2) ?
    C2 C14 . 1.449(2) ?
    C4 C5 . 1.484(2) ?
    C4 H4A . 0.9700 ?
    C4 H4B . 0.9700 ?
    C5 H5A . 0.9600 ?
    C5 H5B . 0.9600 ?
    C5 H5C . 0.9600 ?
    C6 C7 . 1.459(2) ?
    C6 H6A . 0.9700 ?
    C6 H6B . 0.9700 ?
    C7 H7A . 0.9600 ?
    C7 H7B . 0.9600 ?
    C7 H7C . 0.9600 ?
    C8 C13 . 1.379(2) ?
    C8 C9 . 1.391(2) ?
    C9 C10 . 1.376(2) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.365(2) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.370(3) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.383(2) ?
    C12 H12 . 0.9300 ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.3870(19) ?
    C14 C19 . 1.388(2) ?
    C15 C16 . 1.363(2) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.361(3) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.355(2) ?
    C17 H17 . 0.9300 ?
    C18 C19 . 1.385(2) ?
    C18 H18 . 0.9300 ?
    C19 H19 . 0.9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C3 N1 C4 . . 121.53(13) ?
    C3 N1 C6 . . 119.89(13) ?
    C4 N1 C6 . . 118.57(13) ?
    F3 F3 B1 1 . 0(10) ?
    F1 B1 F3 . 1 109.6(2) ?
    F1 B1 F3 . . 109.6(2) ?
    F3 B1 F3 1 . 0.00(16) ?
    F1 B1 F2 . . 112.0(2) ?
    F3 B1 F2 1 . 109.4(2) ?
    F3 B1 F2 . . 109.4(2) ?
    F1 B1 F4 . . 110.5(2) ?
    F3 B1 F4 1 . 109.2(2) ?
    F3 B1 F4 . . 109.2(2) ?
    F2 B1 F4 . . 105.9(2) ?
    C2 C1 C3 . . 60.82(11) ?
    C2 C1 C8 . . 148.32(14) ?
    C3 C1 C8 . . 150.25(14) ?
    C1 C2 C3 . . 61.20(11) ?
    C1 C2 C14 . . 148.01(14) ?
    C3 C2 C14 . . 150.67(14) ?
    N1 C3 C2 . . 149.92(15) ?
    N1 C3 C1 . . 152.04(15) ?
    C2 C3 C1 . . 57.99(10) ?
    N1 C4 C5 . . 112.87(15) ?
    N1 C4 H4A . . 109.0 ?
    C5 C4 H4A . . 109.0 ?
    N1 C4 H4B . . 109.0 ?
    C5 C4 H4B . . 109.0 ?
    H4A C4 H4B . . 107.8 ?
    C4 C5 H5A . . 109.5 ?
    C4 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C4 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    C7 C6 N1 . . 113.26(14) ?
    C7 C6 H6A . . 108.9 ?
    N1 C6 H6A . . 108.9 ?
    C7 C6 H6B . . 108.9 ?
    N1 C6 H6B . . 108.9 ?
    H6A C6 H6B . . 107.7 ?
    C6 C7 H7A . . 109.5 ?
    C6 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    C6 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    C13 C8 C9 . . 118.76(14) ?
    C13 C8 C1 . . 120.22(14) ?
    C9 C8 C1 . . 120.90(14) ?
    C10 C9 C8 . . 120.25(16) ?
    C10 C9 H9 . . 119.9 ?
    C8 C9 H9 . . 119.9 ?
    C11 C10 C9 . . 120.11(17) ?
    C11 C10 H10 . . 119.9 ?
    C9 C10 H10 . . 119.9 ?
    C10 C11 C12 . . 120.64(17) ?
    C10 C11 H11 . . 119.7 ?
    C12 C11 H11 . . 119.7 ?
    C11 C12 C13 . . 119.52(17) ?
    C11 C12 H12 . . 120.2 ?
    C13 C12 H12 . . 120.2 ?
    C8 C13 C12 . . 120.71(16) ?
    C8 C13 H13 . . 119.6 ?
    C12 C13 H13 . . 119.6 ?
    C15 C14 C19 . . 119.50(14) ?
    C15 C14 C2 . . 120.24(13) ?
    C19 C14 C2 . . 120.26(13) ?
    C16 C15 C14 . . 119.74(15) ?
    C16 C15 H15 . . 120.1 ?
    C14 C15 H15 . . 120.1 ?
    C17 C16 C15 . . 120.39(17) ?
    C17 C16 H16 . . 119.8 ?
    C15 C16 H16 . . 119.8 ?
    C18 C17 C16 . . 121.13(17) ?
    C18 C17 H17 . . 119.4 ?
    C16 C17 H17 . . 119.4 ?
    C17 C18 C19 . . 119.76(17) ?
    C17 C18 H18 . . 120.1 ?
    C19 C18 H18 . . 120.1 ?
    C18 C19 C14 . . 119.44(15) ?
    C18 C19 H19 . . 120.3 ?
    C14 C19 H19 . . 120.3 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    F3 F3 B1 F1 1 . . . 0.00(5) ?
    F3 F3 B1 F2 1 . . . 0.00(3) ?
    F3 F3 B1 F4 1 . . . 0.00(2) ?
    C8 C1 C2 C3 . . . . -171.3(3) ?
    C3 C1 C2 C14 . . . . 176.1(3) ?
    C8 C1 C2 C14 . . . . 4.8(4) ?
    C4 N1 C3 C2 . . . . 177.9(2) ?
    C6 N1 C3 C2 . . . . -2.8(4) ?
    C4 N1 C3 C1 . . . . 2.5(4) ?
    C6 N1 C3 C1 . . . . -178.2(3) ?
    C1 C2 C3 N1 . . . . -177.5(3) ?
    C14 C2 C3 N1 . . . . 6.8(5) ?
    C14 C2 C3 C1 . . . . -175.8(3) ?
    C2 C1 C3 N1 . . . . 177.3(3) ?
    C8 C1 C3 N1 . . . . -12.0(5) ?
    C8 C1 C3 C2 . . . . 170.7(3) ?
    C3 N1 C4 C5 . . . . 101.73(18) ?
    C6 N1 C4 C5 . . . . -77.56(19) ?
    C3 N1 C6 C7 . . . . 73.2(2) ?
    C4 N1 C6 C7 . . . . -107.45(18) ?
    C2 C1 C8 C13 . . . . -13.4(3) ?
    C3 C1 C8 C13 . . . . -177.8(2) ?
    C2 C1 C8 C9 . . . . 162.5(2) ?
    C3 C1 C8 C9 . . . . -2.0(3) ?
    C13 C8 C9 C10 . . . . 1.5(2) ?
    C1 C8 C9 C10 . . . . -174.36(14) ?
    C8 C9 C10 C11 . . . . -1.1(3) ?
    C9 C10 C11 C12 . . . . -0.1(3) ?
    C10 C11 C12 C13 . . . . 0.8(3) ?
    C9 C8 C13 C12 . . . . -0.7(2) ?
    C1 C8 C13 C12 . . . . 175.15(14) ?
    C11 C12 C13 C8 . . . . -0.4(3) ?
    C1 C2 C14 C15 . . . . 38.2(3) ?
    C3 C2 C14 C15 . . . . -148.8(2) ?
    C1 C2 C14 C19 . . . . -141.1(2) ?
    C3 C2 C14 C19 . . . . 31.9(3) ?
    C19 C14 C15 C16 . . . . -0.6(2) ?
    C2 C14 C15 C16 . . . . -179.92(15) ?
    C14 C15 C16 C17 . . . . 1.5(3) ?
    C15 C16 C17 C18 . . . . -0.6(3) ?
    C16 C17 C18 C19 . . . . -1.3(3) ?
    C17 C18 C19 C14 . . . . 2.2(3) ?
    C15 C14 C19 C18 . . . . -1.2(2) ?
    C2 C14 C19 C18 . . . . 178.08(15) ?
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
    C4 H4B F2 1_545 0.97 2.51 3.373(2) 148
    C6 H6B F3 1 0.97 2.45 3.293(2) 145
    C12 H12 F1 3_665 0.93 2.54 3.443(2) 165
    C15 H15 F4 4_565 0.93 2.52 3.343(2) 148
