##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_database_code_depnum_ccdc_archive     'CCDC 1004280'
_chemical_name_systematic
;
Potassium trifluorido(4-methoxyphenyl)borate
;
_chemical_name_common     ?
_chemical_formula_moiety     'K +, C7 H7 B F3 O -'
_chemical_formula_sum     'C7 H7 B F3 K O'
_chemical_formula_iupac     'K +, C7 H7 B F3 O -'
_chemical_formula_weight     214.04
_chemical_melting_point     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P c a 21'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, z+1/2'
    '-x+1/2, y, z+1/2'
    'x+1/2, -y, z'
_cell_length_a     7.1347(2)
_cell_length_b     17.2819(7)
_cell_length_c     7.3289(3)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     903.66(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4830
_cell_measurement_theta_min     1.2
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     120(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.52
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.573
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     432
_exptl_absorpt_coefficient_mu     0.588
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2012)'
_exptl_absorpt_correction_T_min     0.7496
_exptl_absorpt_correction_T_max     0.9170
_exptl_special_details     ?
_diffrn_ambient_temperature     120(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     5789
_diffrn_reflns_av_R_equivalents     0.0255
_diffrn_reflns_av_sigmaI/netI     0.0203
_diffrn_reflns_theta_min     1.18
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     27.48
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -22
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -8
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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     1833
_reflns_number_gt     1822
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0213
_refine_ls_R_factor_gt     0.0212
_refine_ls_wR_factor_gt     0.0589
_refine_ls_wR_factor_ref     0.0590
_refine_ls_goodness_of_fit_ref     1.098
_refine_ls_restrained_S_all     1.098
_refine_ls_number_reflns     1833
_refine_ls_number_parameters     120
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0350P)²+0.1245P] 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     0.240
_refine_diff_density_min     -0.199
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0115(14)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details     'Flack (1983), 712 Friedel pairs'
_refine_ls_abs_structure_Flack     0.02(3)
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'
    'F' 'F' 0.0171 0.0103
                         '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'
    'K' 'K' 0.2009 0.2494
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku, 2010)'
_computing_cell_refinement     'CrystalClear (Rigaku, 2010)'
_computing_data_reduction     'CrystalClear (Rigaku, 2010)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material     'publCIF (Westrip, 2010)'
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    K K1 0.93636(3) 0.577078(16) 0.49116(4) 0.01659(9) Uani d . 1 1 . .
    C C1 0.48663(17) 0.69908(7) 0.3989(2) 0.0159(3) Uani d . 1 1 . .
    C C2 0.36313(18) 0.72309(8) 0.2628(2) 0.0195(3) Uani d . 1 1 . .
    H H2 0.2718 0.6875 0.2199 0.023 Uiso calc R 1 1 . .
    C C3 0.36757(18) 0.79722(8) 0.1867(2) 0.0223(3) Uani d . 1 1 . .
    H H3 0.2813 0.8114 0.0938 0.027 Uiso calc R 1 1 . .
    C C4 0.5004(2) 0.84983(8) 0.2493(2) 0.0208(3) Uani d . 1 1 . .
    C C5 0.62439(19) 0.82828(8) 0.3880(2) 0.0233(3) Uani d . 1 1 . .
    H H5 0.7139 0.8643 0.4324 0.028 Uiso calc R 1 1 . .
    C C6 0.61673(19) 0.75407(8) 0.4608(2) 0.0206(3) Uani d . 1 1 . .
    H H6 0.7018 0.7402 0.5549 0.025 Uiso calc R 1 1 . .
    C C7 0.3970(3) 0.94712(11) 0.0422(3) 0.0393(5) Uani d . 1 1 . .
    H H7A 0.4278 1.0000 0.0044 0.059 Uiso calc R 1 1 . .
    H H7B 0.2674 0.9454 0.0865 0.059 Uiso calc R 1 1 . .
    H H7C 0.4105 0.9121 -0.0622 0.059 Uiso calc R 1 1 . .
    B B1 0.48502(18) 0.61227(8) 0.4743(2) 0.0153(3) Uani d . 1 1 . .
    F F1 0.57562(10) 0.55930(5) 0.35081(13) 0.01754(18) Uani d . 1 1 . .
    F F2 0.30347(10) 0.58074(4) 0.50165(17) 0.02096(19) Uani d . 1 1 . .
    F F3 0.58402(11) 0.60460(5) 0.64078(13) 0.02023(19) Uani d . 1 1 . .
    O O1 0.52053(18) 0.92364(6) 0.1842(2) 0.0297(3) Uani d . 1 1 . .
_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
    K1 F3 3_654 2.6156(10) y
    K1 F2 1_655 2.6211(7) y
    K1 F1 3_655 2.6550(10) y
    K1 F1 4_565 2.7568(10) y
    K1 F3 . 2.7836(8) y
    K1 F1 . 2.7887(8) y
    K1 F2 4_565 2.8885(8) y
    K1 F3 4_565 3.4886(9) y
    C1 C2 . 1.3940(19) ?
    C1 C6 . 1.4036(18) ?
    C1 B1 . 1.5987(18) ?
    C2 C3 . 1.398(2) ?
    C2 K1 3_654 3.5183(15) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.3910(19) ?
    C3 H3 . 0.9500 ?
    C4 O1 . 1.3696(17) ?
    C4 C5 . 1.398(2) ?
    C5 C6 . 1.390(2) ?
    C5 H5 . 0.9500 ?
    C6 H6 . 0.9500 ?
    C7 O1 . 1.423(2) ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    B1 F3 . 1.4162(19) y
    B1 F2 . 1.4196(14) y
    B1 F1 . 1.4403(17) y
    B1 K1 4_465 3.2930(14) ?
    F1 K1 3_654 2.6550(10) ?
    F1 K1 4_465 2.7568(10) ?
    F2 K1 1_455 2.6211(7) ?
    F2 K1 4_465 2.8885(8) ?
    F3 K1 3_655 2.6157(10) ?
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
    F3 K1 F2 3_654 1_655 94.59(3) ?
    F3 K1 F1 3_654 3_655 173.67(3) ?
    F2 K1 F1 1_655 3_655 90.34(3) ?
    F3 K1 F1 3_654 4_565 79.00(3) ?
    F2 K1 F1 1_655 4_565 70.82(2) ?
    F1 K1 F1 3_655 4_565 106.45(2) ?
    F3 K1 F3 3_654 . 107.78(2) ?
    F2 K1 F3 1_655 . 152.47(3) ?
    F1 K1 F3 3_655 . 66.40(3) ?
    F1 K1 F3 4_565 . 128.21(2) ?
    F3 K1 F1 3_654 . 66.83(3) ?
    F2 K1 F1 1_655 . 159.35(3) ?
    F1 K1 F1 3_655 . 108.89(2) ?
    F1 K1 F1 4_565 . 95.79(2) ?
    F3 K1 F1 . . 47.98(3) ?
    F3 K1 F2 3_654 4_565 100.35(3) ?
    F2 K1 F2 1_655 4_565 110.489(19) ?
    F1 K1 F2 3_655 4_565 81.59(3) ?
    F1 K1 F2 4_565 4_565 47.24(3) ?
    F3 K1 F2 . 4_565 81.63(2) ?
    F1 K1 F2 . 4_565 66.60(3) ?
    C2 C1 C6 . . 116.59(12) ?
    C2 C1 B1 . . 121.46(12) ?
    C6 C1 B1 . . 121.90(12) ?
    C1 C2 C3 . . 122.95(12) ?
    C1 C2 K1 . 3_654 86.24(8) ?
    C3 C2 K1 . 3_654 114.99(10) ?
    C1 C2 H2 . . 118.5 ?
    C3 C2 H2 . . 118.5 ?
    K1 C2 H2 3_654 . 68.1 ?
    C4 C3 C2 . . 118.88(13) ?
    C4 C3 H3 . . 120.6 ?
    C2 C3 H3 . . 120.6 ?
    O1 C4 C3 . . 124.43(14) ?
    O1 C4 C5 . . 115.78(13) ?
    C3 C4 C5 . . 119.79(13) ?
    C6 C5 C4 . . 119.99(13) ?
    C6 C5 H5 . . 120.0 ?
    C4 C5 H5 . . 120.0 ?
    C5 C6 C1 . . 121.78(14) ?
    C5 C6 H6 . . 119.1 ?
    C1 C6 H6 . . 119.1 ?
    O1 C7 H7A . . 109.5 ?
    O1 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    O1 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    F3 B1 F2 . . 107.30(13) ?
    F3 B1 F1 . . 104.95(10) ?
    F2 B1 F1 . . 104.73(10) ?
    F3 B1 C1 . . 112.45(11) ?
    F2 B1 C1 . . 114.56(11) ?
    F1 B1 C1 . . 112.10(12) ?
    B1 F1 K1 . 3_654 122.39(8) ?
    B1 F1 K1 . 4_465 98.47(7) ?
    K1 F1 K1 3_654 4_465 117.24(3) ?
    B1 F1 K1 . . 96.46(7) ?
    K1 F1 K1 3_654 . 112.53(3) ?
    K1 F1 K1 4_465 . 106.81(3) ?
    B1 F2 K1 . 1_455 156.48(8) ?
    B1 F2 K1 . 4_465 93.39(6) ?
    K1 F2 K1 1_455 4_465 107.73(2) ?
    B1 F3 K1 . 3_655 146.64(8) ?
    B1 F3 K1 . . 97.29(7) ?
    K1 F3 K1 3_655 . 113.95(3) ?
    C4 O1 C7 . . 117.09(13) ?
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
    C6 C1 C2 C3 . . . . 1.2(2) ?
    B1 C1 C2 C3 . . . . -176.35(14) ?
    C6 C1 C2 K1 . . . 3_654 118.72(12) ?
    B1 C1 C2 K1 . . . 3_654 -58.84(12) ?
    C1 C2 C3 C4 . . . . -0.2(2) ?
    K1 C2 C3 C4 3_654 . . . -102.69(14) ?
    C2 C3 C4 O1 . . . . 179.10(14) ?
    C2 C3 C4 C5 . . . . -0.9(2) ?
    O1 C4 C5 C6 . . . . -178.99(14) ?
    C3 C4 C5 C6 . . . . 1.0(2) ?
    C4 C5 C6 C1 . . . . 0.0(2) ?
    C2 C1 C6 C5 . . . . -1.1(2) ?
    B1 C1 C6 C5 . . . . 176.46(14) ?
    C2 C1 B1 F3 . . . . -164.66(12) ?
    C6 C1 B1 F3 . . . . 17.90(18) ?
    C2 C1 B1 F2 . . . . -41.81(19) ?
    C6 C1 B1 F2 . . . . 140.76(15) ?
    C2 C1 B1 F1 . . . . 77.36(16) ?
    C6 C1 B1 F1 . . . . -100.07(15) ?
    C3 C4 O1 C7 . . . . -0.4(2) ?
    C5 C4 O1 C7 . . . . 179.62(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
    C2 H2 F2 3_554 0.95 2.50 3.3359(17) 147
    C7 H7a O1 2_674 0.98 2.72 3.4960(10)
                                       137
    C3 H3 Cg1 3_554 0.95 2.85 3.7171(15) 152
data_II
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Potassium trifluorido(4-fluorophenyl)borate
;
_chemical_name_common     ?
_chemical_formula_moiety     'K +, C6 H4 B F4 -'
_chemical_formula_sum     'C6 H4 B F4 K'
_chemical_formula_iupac     'K +, C6 H4 B F4 -'
_chemical_formula_weight     202.00
_chemical_melting_point     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_space_group_name_Hall     '-P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, y, -z-1/2'
    '-x-1/2, y-1/2, z'
    'x, -y-1/2, z-1/2'
_cell_length_a     7.1317(5)
_cell_length_b     7.3757(5)
_cell_length_c     29.129(2)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1532.22(18)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     8210
_cell_measurement_theta_min     3.2
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     100(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.07
_exptl_crystal_size_mid     0.05
_exptl_crystal_size_min     0.01
_exptl_crystal_density_diffrn     1.751
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     800
_exptl_absorpt_coefficient_mu     0.697
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2012)'
_exptl_absorpt_correction_T_min     0.9529
_exptl_absorpt_correction_T_max     0.9931
_exptl_special_details     ?
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9537
_diffrn_reflns_av_R_equivalents     0.0369
_diffrn_reflns_av_sigmaI/netI     0.0265
_diffrn_reflns_theta_min     3.18
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     27.48
_diffrn_measured_fraction_theta_max     0.983
_diffrn_measured_fraction_theta_full     0.983
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     8
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     7
_diffrn_reflns_limit_l_min     -32
_diffrn_reflns_limit_l_max     37
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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     1726
_reflns_number_gt     1435
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0358
_refine_ls_R_factor_gt     0.0271
_refine_ls_wR_factor_gt     0.0624
_refine_ls_wR_factor_ref     0.0654
_refine_ls_goodness_of_fit_ref     1.058
_refine_ls_restrained_S_all     1.058
_refine_ls_number_reflns     1726
_refine_ls_number_parameters     109
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0274P)²+0.6658P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.266
_refine_diff_density_min     -0.226
_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 0.0016
                         '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'
    'F' 'F' 0.0171 0.0103
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'K' 'K' 0.2009 0.2494
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku, 2010)'
_computing_cell_refinement     'CrystalClear (Rigaku, 2010)'
_computing_data_reduction     'CrystalClear (Rigaku, 2010)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material     'publCIF (Westrip, 2010)'
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    K K1 0.06924(4) 0.02356(5) 0.205013(12) 0.01668(10) Uani d . 1 1 . .
    C C1 0.5118(2) 0.1023(2) 0.13156(5) 0.0161(3) Uani d . 1 1 . .
    C C2 0.3892(2) 0.0245(2) 0.09978(6) 0.0213(3) Uani d . 1 1 . .
    H H2 0.3130 -0.0745 0.1091 0.026 Uiso calc R 1 1 . .
    C C3 0.3750(2) 0.0869(2) 0.05506(6) 0.0245(4) Uani d . 1 1 . .
    H H3 0.2905 0.0324 0.0339 0.029 Uiso calc R 1 1 . .
    C C4 0.4867(2) 0.2301(2) 0.04213(5) 0.0236(4) Uani d . 1 1 . .
    C C5 0.6112(2) 0.3121(2) 0.07145(6) 0.0250(4) Uani d . 1 1 . .
    H H5 0.6871 0.4105 0.0616 0.030 Uiso calc R 1 1 . .
    C C6 0.6226(2) 0.2463(2) 0.11604(6) 0.0207(3) Uani d . 1 1 . .
    H H6 0.7085 0.3011 0.1367 0.025 Uiso calc R 1 1 . .
    B B1 0.5200(2) 0.0373(2) 0.18355(6) 0.0147(3) Uani d . 1 1 . .
    F F1 0.43225(11) 0.16564(12) 0.21396(3) 0.0178(2) Uani d . 1 1 . .
    F F2 0.70288(11) 0.01321(13) 0.20154(3) 0.0210(2) Uani d . 1 1 . .
    F F3 0.42107(11) -0.12680(12) 0.19106(3) 0.0193(2) Uani d . 1 1 . .
    F F4 0.47218(15) 0.29343(14) -0.00157(3) 0.0327(3) Uani d . 1 1 . .
_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
    K1 F3 7_665 2.6116(10) y
    K1 F2 1_455 2.6159(9) y
    K1 F1 7_655 2.6527(9) y
    K1 F1 6_556 2.7612(10) y
    K1 F3 . 2.7732(9) y
    K1 F1 . 2.8050(9) y
    K1 F2 6_556 2.8853(10) y
    K1 F3 6_556 3.3927(10) y
    C1 C2 . 1.397(2) ?
    C1 C6 . 1.399(2) ?
    C1 B1 . 1.590(2) ?
    C2 C3 . 1.385(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.375(2) ?
    C3 H3 . 0.9500 ?
    C4 F4 . 1.3597(18) ?
    C4 C5 . 1.373(2) ?
    C5 C6 . 1.389(2) ?
    C5 H5 . 0.9500 ?
    C6 H6 . 0.9500 ?
    B1 F2 . 1.4166(17) y
    B1 F3 . 1.4182(19) y
    B1 F1 . 1.4393(18) y
    B1 K1 6_656 3.2665(18) ?
    F1 K1 7_665 2.6527(9) ?
    F1 K1 6_656 2.7612(9) ?
    F2 K1 1_655 2.6159(9) ?
    F2 K1 6_656 2.8852(10) ?
    F3 K1 7_655 2.6116(10) ?
    F3 K1 6_656 3.3928(10) ?
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
    F3 K1 F2 7_665 1_455 92.82(3) ?
    F3 K1 F1 7_665 7_655 176.44(3) ?
    F2 K1 F1 1_455 7_655 88.32(3) ?
    F3 K1 F1 7_665 6_556 76.56(3) ?
    F2 K1 F1 1_455 6_556 71.99(3) ?
    F1 K1 F1 7_655 6_556 107.00(2) ?
    F3 K1 F3 7_665 . 110.37(2) ?
    F2 K1 F3 1_455 . 152.42(3) ?
    F1 K1 F3 7_655 . 67.67(3) ?
    F1 K1 F3 6_556 . 126.67(3) ?
    F3 K1 F1 7_665 . 67.74(3) ?
    F2 K1 F1 1_455 . 159.45(3) ?
    F1 K1 F1 7_655 . 111.49(2) ?
    F1 K1 F1 6_556 . 96.05(2) ?
    F3 K1 F1 . . 47.78(3) ?
    F3 K1 F2 7_665 6_556 99.45(3) ?
    F2 K1 F2 1_455 6_556 111.45(2) ?
    F1 K1 F2 7_655 6_556 83.24(3) ?
    F1 K1 F2 6_556 6_556 47.18(2) ?
    F3 K1 F2 . 6_556 80.14(3) ?
    F1 K1 F2 . 6_556 67.51(3) ?
    F3 K1 F3 7_665 6_556 118.03(3) ?
    F2 K1 F3 1_455 6_556 73.38(3) ?
    F1 K1 F3 7_655 6_556 65.53(2) ?
    F1 K1 F3 6_556 6_556 41.51(2) ?
    F3 K1 F3 . 6_556 106.37(3) ?
    F1 K1 F3 . 6_556 109.07(3) ?
    F2 K1 F3 6_556 6_556 41.62(2) ?
    C2 C1 C6 . . 116.82(15) ?
    C2 C1 B1 . . 122.05(14) ?
    C6 C1 B1 . . 121.08(14) ?
    C3 C2 C1 . . 122.18(15) ?
    C3 C2 H2 . . 118.9 ?
    C1 C2 H2 . . 118.9 ?
    C4 C3 C2 . . 118.06(15) ?
    C4 C3 H3 . . 121.0 ?
    C2 C3 H3 . . 121.0 ?
    F4 C4 C5 . . 118.69(15) ?
    F4 C4 C3 . . 118.44(15) ?
    C5 C4 C3 . . 122.87(16) ?
    C4 C5 C6 . . 117.74(16) ?
    C4 C5 H5 . . 121.1 ?
    C6 C5 H5 . . 121.1 ?
    C5 C6 C1 . . 122.34(15) ?
    C5 C6 H6 . . 118.8 ?
    C1 C6 H6 . . 118.8 ?
    F2 B1 F3 . . 107.08(12) ?
    F2 B1 F1 . . 104.80(12) ?
    F3 B1 F1 . . 104.48(11) ?
    F2 B1 C1 . . 115.08(12) ?
    F3 B1 C1 . . 112.70(13) ?
    F1 B1 C1 . . 111.86(12) ?
    F2 B1 K1 . 6_656 61.95(7) ?
    F3 B1 K1 . 6_656 82.74(8) ?
    F1 B1 K1 . 6_656 57.03(7) ?
    C1 B1 K1 . 6_656 163.77(11) ?
    F2 B1 K1 . . 145.97(10) ?
    F3 B1 K1 . . 57.04(6) ?
    F1 B1 K1 . . 58.42(6) ?
    C1 B1 K1 . . 98.93(9) ?
    K1 B1 K1 6_656 . 85.12(4) ?
    B1 F1 K1 . 7_665 126.56(8) ?
    B1 F1 K1 . 6_656 97.04(8) ?
    K1 F1 K1 7_665 6_656 117.58(3) ?
    B1 F1 K1 . . 95.66(8) ?
    K1 F1 K1 7_665 . 111.04(3) ?
    K1 F1 K1 6_656 . 105.32(3) ?
    B1 F2 K1 . 1_655 158.46(9) ?
    B1 F2 K1 . 6_656 92.38(8) ?
    K1 F2 K1 1_655 6_656 107.01(3) ?
    B1 F3 K1 . 7_655 148.62(8) ?
    B1 F3 K1 . . 97.55(8) ?
    K1 F3 K1 7_655 . 113.33(3) ?
    B1 F3 K1 . 6_656 72.76(8) ?
    K1 F3 K1 7_655 6_656 100.12(3) ?
    K1 F3 K1 . 6_656 91.16(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
    C6 C1 C2 C3 . . . . -0.7(2) ?
    B1 C1 C2 C3 . . . . 176.65(15) ?
    C1 C2 C3 C4 . . . . 0.1(3) ?
    C2 C3 C4 F4 . . . . -179.32(15) ?
    C2 C3 C4 C5 . . . . 0.4(3) ?
    F4 C4 C5 C6 . . . . 179.43(15) ?
    C3 C4 C5 C6 . . . . -0.3(3) ?
    C4 C5 C6 C1 . . . . -0.3(3) ?
    C2 C1 C6 C5 . . . . 0.8(2) ?
    B1 C1 C6 C5 . . . . -176.56(15) ?
    C2 C1 B1 F2 . . . . 135.24(15) ?
    C6 C1 B1 F2 . . . . -47.6(2) ?
    C2 C1 B1 F3 . . . . 12.0(2) ?
    C6 C1 B1 F3 . . . . -170.75(13) ?
    C2 C1 B1 F1 . . . . -105.32(17) ?
    C6 C1 B1 F1 . . . . 71.88(18) ?
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
    C6 H6 F2 7_765 0.95 2.53 3.4099(19) 154
data_global
_journal_date_recd_electronic     2014-04-16
_journal_date_accepted     2014-04-29
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2014
_journal_volume     70
_journal_issue      8
_journal_page_first     68
_journal_page_last     71
_journal_paper_category     GM
_journal_paper_doi     10.1107/S1600536814009684
_journal_coeditor_code     WM0001
_publ_contact_author_name     'William T A Harrison'
_publ_contact_author_address
;
Department of Chemistry
University of Aberdeen
Meston Walk
Aberdeen AB24 3UE
Scotland
;
_publ_contact_author_email     'w.harrison@abdn.ac.uk'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium
trifluorido(4-fluorophenyl)borate
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Harrison, William T. A.' .
;
Department of Chemistry
University of Aberdeen
Meston Walk
Aberdeen AB24 3UE
Scotland
;
    'Wardell, James L.' .
;
Department of Chemistry
University of Aberdeen
Meston Walk
Aberdeen AB24 3UE
Scotland
FioCruz-Fundação Oswaldo Cruz
Instituto de Tecnologia em Fármacos-Far-Manguinhos
Rua Sizenando Nabuco
100, Manguinhos,
21041-250 Rio de Janeiro, RJ, Brazil
;
