##############################################################################
###                                                                        ###
###        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/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
Hexamethylenetetraminium disalicylatoborate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C6 H13 N4 + , C14 H8 B1 O6 -'
_chemical_formula_sum     'C20 H21 B N4 O6'
_chemical_formula_iupac     'C6 H13 N4 + , C14 H8 B1 O6 -'
_chemical_formula_weight     424.22
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.697(4)
_cell_length_b     10.164(5)
_cell_length_c     12.212(6)
_cell_angle_alpha     71.111(7)
_cell_angle_beta     72.765(6)
_cell_angle_gamma     79.160(7)
_cell_volume     970.4(8)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     1460
_cell_measurement_theta_min     2.374
_cell_measurement_theta_max     23.43
_cell_measurement_temperature     298(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.41
_exptl_crystal_size_mid     0.29
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.452
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     444
_exptl_absorpt_coefficient_mu     0.108
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1999)'
_exptl_absorpt_correction_T_min     0.9571
_exptl_absorpt_correction_T_max     0.9872
_exptl_special_details     ?
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_reflns_number     5112
_diffrn_reflns_av_R_equivalents     0.0158
_diffrn_reflns_av_sigmaI/netI     0.0378
_diffrn_reflns_theta_min     1.82
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.987
_diffrn_measured_fraction_theta_full     0.987
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     8
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_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     3382
_reflns_number_gt     2132
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0818
_refine_ls_R_factor_gt     0.0457
_refine_ls_wR_factor_gt     0.1046
_refine_ls_wR_factor_ref     0.1290
_refine_ls_goodness_of_fit_ref     1.017
_refine_ls_restrained_S_all     1.017
_refine_ls_number_reflns     3382
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0485P)²+0.4284P] 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     0.252
_refine_diff_density_min     -0.160
_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'
    'N' 'N' 0.0061 0.0033
                         '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'
    'B' 'B' 0.0013 0.0007
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2001)'
_computing_data_reduction     'SAINT (Bruker, 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 2001)'
_computing_publication_material     'SHELXTL (Bruker, 2001)'
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
    N N1 0.6656(3) 0.7669(2) 0.5102(2) 0.0535(6) Uani d . 1 . .
    H H1 0.5596 0.7527 0.5443 0.064 Uiso calc R 1 . .
    N N2 0.8490(3) 0.9067(2) 0.34266(18) 0.0470(6) Uani d . 1 . .
    N N3 0.9283(3) 0.6597(2) 0.4279(2) 0.0527(6) Uani d . 1 . .
    N N4 0.9022(3) 0.8249(2) 0.53993(19) 0.0492(6) Uani d . 1 . .
    O O1 0.4850(2) 0.6951(2) 0.29242(16) 0.0559(5) Uani d . 1 . .
    O O2 0.3403(2) 0.8933(2) 0.3087(2) 0.0759(7) Uani d . 1 . .
    O O3 0.5212(2) 0.6141(2) 0.11880(17) 0.0584(5) Uani d . 1 . .
    O O4 0.5638(2) 0.45922(19) 0.30073(17) 0.0566(5) Uani d . 1 . .
    O O5 0.6526(2) 0.2370(2) 0.35252(18) 0.0632(6) Uani d . 1 . .
    O O6 0.7469(2) 0.63698(17) 0.18453(16) 0.0481(5) Uani d . 1 . .
    B B1 0.5799(4) 0.6034(3) 0.2206(3) 0.0477(8) Uani d . 1 . .
    C C1 0.3984(3) 0.8123(3) 0.2488(3) 0.0515(7) Uani d . 1 . .
    C C2 0.3747(3) 0.8344(3) 0.1294(2) 0.0475(7) Uani d . 1 . .
    C C3 0.4371(3) 0.7340(3) 0.0697(2) 0.0466(7) Uani d . 1 . .
    C C4 0.4102(3) 0.7520(3) -0.0412(3) 0.0609(8) Uani d . 1 . .
    H H4 0.4525 0.6839 -0.0810 0.073 Uiso calc R 1 . .
    C C5 0.3218(4) 0.8695(4) -0.0913(3) 0.0793(10) Uani d . 1 . .
    H H5 0.3034 0.8810 -0.1653 0.095 Uiso calc R 1 . .
    C C6 0.2594(5) 0.9713(4) -0.0342(4) 0.0895(12) Uani d . 1 . .
    H H6 0.1995 1.0512 -0.0695 0.107 Uiso calc R 1 . .
    C C7 0.2856(4) 0.9548(3) 0.0761(3) 0.0740(9) Uani d . 1 . .
    H H7 0.2439 1.0239 0.1148 0.089 Uiso calc R 1 . .
    C C8 0.6813(3) 0.3568(3) 0.2937(2) 0.0454(6) Uani d . 1 . .
    C C9 0.8423(3) 0.3944(3) 0.2199(2) 0.0387(6) Uani d . 1 . .
    C C10 0.8691(3) 0.5344(3) 0.1716(2) 0.0386(6) Uani d . 1 . .
    C C11 1.0252(3) 0.5703(3) 0.1124(2) 0.0451(6) Uani d . 1 . .
    H H11 1.0449 0.6638 0.0825 0.054 Uiso calc R 1 . .
    C C12 1.1496(3) 0.4677(3) 0.0983(2) 0.0494(7) Uani d . 1 . .
    H H12 1.2537 0.4924 0.0586 0.059 Uiso calc R 1 . .
    C C13 1.1237(3) 0.3283(3) 0.1418(2) 0.0512(7) Uani d . 1 . .
    H H13 1.2090 0.2597 0.1297 0.061 Uiso calc R 1 . .
    C C14 0.9706(3) 0.2917(3) 0.2033(2) 0.0466(6) Uani d . 1 . .
    H H14 0.9525 0.1979 0.2340 0.056 Uiso calc R 1 . .
    C C15 0.6829(3) 0.8848(3) 0.3955(2) 0.0543(7) Uani d . 1 . .
    H H15A 0.6388 0.8623 0.3402 0.065 Uiso calc R 1 . .
    H H15B 0.6224 0.9697 0.4120 0.065 Uiso calc R 1 . .
    C C16 0.7608(3) 0.6371(3) 0.4823(3) 0.0552(7) Uani d . 1 . .
    H H16A 0.7519 0.5605 0.5554 0.066 Uiso calc R 1 . .
    H H16B 0.7169 0.6119 0.4284 0.066 Uiso calc R 1 . .
    C C17 0.7364(4) 0.8026(3) 0.5945(2) 0.0602(8) Uani d . 1 . .
    H H17A 0.6768 0.8864 0.6139 0.072 Uiso calc R 1 . .
    H H17B 0.7274 0.7269 0.6682 0.072 Uiso calc R 1 . .
    C C18 0.9388(3) 0.7771(3) 0.3193(2) 0.0581(8) Uani d . 1 . .
    H H18A 0.8966 0.7536 0.2636 0.070 Uiso calc R 1 . .
    H H18B 1.0516 0.7923 0.2819 0.070 Uiso calc R 1 . .
    C C19 0.9915(4) 0.6990(3) 0.5116(3) 0.0616(8) Uani d . 1 . .
    H H19A 0.9846 0.6228 0.5848 0.074 Uiso calc R 1 . .
    H H19B 1.1047 0.7142 0.4762 0.074 Uiso calc R 1 . .
    C C20 0.9137(3) 0.9386(3) 0.4284(2) 0.0529(7) Uani d . 1 . .
    H H20A 1.0262 0.9558 0.3923 0.063 Uiso calc R 1 . .
    H H20B 0.8544 1.0232 0.4463 0.063 Uiso calc R 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
    N1 C16 . 1.502(3) ?
    N1 C17 . 1.507(3) ?
    N1 C15 . 1.510(3) ?
    N1 H1 . 0.910 ?
    N2 C15 . 1.424(3) ?
    N2 C18 . 1.467(3) ?
    N2 C20 . 1.468(3) ?
    N3 C16 . 1.439(3) ?
    N3 C18 . 1.461(3) ?
    N3 C19 . 1.479(3) ?
    N4 C17 . 1.425(3) ?
    N4 C19 . 1.454(3) ?
    N4 C20 . 1.464(3) ?
    O1 C1 . 1.326(3) ?
    O1 B1 . 1.460(3) ?
    O2 C1 . 1.217(3) ?
    O3 C3 . 1.353(3) ?
    O3 B1 . 1.444(4) ?
    O4 C8 . 1.320(3) ?
    O4 B1 . 1.480(4) ?
    O5 C8 . 1.226(3) ?
    O6 C10 . 1.354(3) ?
    O6 B1 . 1.460(3) ?
    C1 C2 . 1.473(4) ?
    C2 C3 . 1.380(4) ?
    C2 C7 . 1.395(4) ?
    C3 C4 . 1.390(4) ?
    C4 C5 . 1.361(4) ?
    C4 H4 . 0.930 ?
    C5 C6 . 1.372(5) ?
    C5 H5 . 0.930 ?
    C6 C7 . 1.384(5) ?
    C6 H6 . 0.930 ?
    C7 H7 . 0.930 ?
    C8 C9 . 1.466(3) ?
    C9 C10 . 1.388(3) ?
    C9 C14 . 1.393(3) ?
    C10 C11 . 1.391(3) ?
    C11 C12 . 1.367(3) ?
    C11 H11 . 0.930 ?
    C12 C13 . 1.379(4) ?
    C12 H12 . 0.930 ?
    C13 C14 . 1.374(4) ?
    C13 H13 . 0.930 ?
    C14 H14 . 0.930 ?
    C15 H15A . 0.970 ?
    C15 H15B . 0.970 ?
    C16 H16A . 0.970 ?
    C16 H16B . 0.970 ?
    C17 H17A . 0.970 ?
    C17 H17B . 0.970 ?
    C18 H18A . 0.970 ?
    C18 H18B . 0.970 ?
    C19 H19A . 0.970 ?
    C19 H19B . 0.970 ?
    C20 H20A . 0.970 ?
    C20 H20B . 0.970 ?
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
    C16 N1 C17 . . 108.2(2) ?
    C16 N1 C15 . . 108.6(2) ?
    C17 N1 C15 . . 109.0(2) ?
    C16 N1 H1 . . 110.4 ?
    C17 N1 H1 . . 110.4 ?
    C15 N1 H1 . . 110.4 ?
    C15 N2 C18 . . 108.9(2) ?
    C15 N2 C20 . . 108.7(2) ?
    C18 N2 C20 . . 107.8(2) ?
    C16 N3 C18 . . 108.7(2) ?
    C16 N3 C19 . . 108.4(2) ?
    C18 N3 C19 . . 107.9(2) ?
    C17 N4 C19 . . 109.7(2) ?
    C17 N4 C20 . . 109.0(2) ?
    C19 N4 C20 . . 108.4(2) ?
    C1 O1 B1 . . 123.2(2) ?
    C3 O3 B1 . . 119.7(2) ?
    C8 O4 B1 . . 122.7(2) ?
    C10 O6 B1 . . 119.2(2) ?
    O3 B1 O6 . . 111.8(2) ?
    O3 B1 O1 . . 113.7(2) ?
    O6 B1 O1 . . 106.8(2) ?
    O3 B1 O4 . . 107.4(2) ?
    O6 B1 O4 . . 111.4(2) ?
    O1 B1 O4 . . 105.7(2) ?
    O2 C1 O1 . . 119.7(3) ?
    O2 C1 C2 . . 123.6(3) ?
    O1 C1 C2 . . 116.7(2) ?
    C3 C2 C7 . . 119.0(3) ?
    C3 C2 C1 . . 120.2(2) ?
    C7 C2 C1 . . 120.8(3) ?
    O3 C3 C2 . . 121.1(2) ?
    O3 C3 C4 . . 118.3(3) ?
    C2 C3 C4 . . 120.5(3) ?
    C5 C4 C3 . . 119.8(3) ?
    C5 C4 H4 . . 120.1 ?
    C3 C4 H4 . . 120.1 ?
    C4 C5 C6 . . 120.9(3) ?
    C4 C5 H5 . . 119.6 ?
    C6 C5 H5 . . 119.6 ?
    C5 C6 C7 . . 119.9(3) ?
    C5 C6 H6 . . 120.0 ?
    C7 C6 H6 . . 120.0 ?
    C6 C7 C2 . . 120.0(3) ?
    C6 C7 H7 . . 120.0 ?
    C2 C7 H7 . . 120.0 ?
    O5 C8 O4 . . 118.9(2) ?
    O5 C8 C9 . . 123.5(2) ?
    O4 C8 C9 . . 117.6(2) ?
    C10 C9 C14 . . 119.6(2) ?
    C10 C9 C8 . . 119.3(2) ?
    C14 C9 C8 . . 120.9(2) ?
    O6 C10 C9 . . 121.3(2) ?
    O6 C10 C11 . . 119.2(2) ?
    C9 C10 C11 . . 119.5(2) ?
    C12 C11 C10 . . 119.7(2) ?
    C12 C11 H11 . . 120.1 ?
    C10 C11 H11 . . 120.1 ?
    C11 C12 C13 . . 121.3(2) ?
    C11 C12 H12 . . 119.3 ?
    C13 C12 H12 . . 119.3 ?
    C14 C13 C12 . . 119.3(3) ?
    C14 C13 H13 . . 120.4 ?
    C12 C13 H13 . . 120.4 ?
    C13 C14 C9 . . 120.4(2) ?
    C13 C14 H14 . . 119.8 ?
    C9 C14 H14 . . 119.8 ?
    N2 C15 N1 . . 110.1(2) ?
    N2 C15 H15A . . 109.6 ?
    N1 C15 H15A . . 109.6 ?
    N2 C15 H15B . . 109.6 ?
    N1 C15 H15B . . 109.6 ?
    H15A C15 H15B . . 108.1 ?
    N3 C16 N1 . . 110.4(2) ?
    N3 C16 H16A . . 109.6 ?
    N1 C16 H16A . . 109.6 ?
    N3 C16 H16B . . 109.6 ?
    N1 C16 H16B . . 109.6 ?
    H16A C16 H16B . . 108.1 ?
    N4 C17 N1 . . 109.7(2) ?
    N4 C17 H17A . . 109.7 ?
    N1 C17 H17A . . 109.7 ?
    N4 C17 H17B . . 109.7 ?
    N1 C17 H17B . . 109.7 ?
    H17A C17 H17B . . 108.2 ?
    N3 C18 N2 . . 112.8(2) ?
    N3 C18 H18A . . 109.0 ?
    N2 C18 H18A . . 109.0 ?
    N3 C18 H18B . . 109.0 ?
    N2 C18 H18B . . 109.0 ?
    H18A C18 H18B . . 107.8 ?
    N4 C19 N3 . . 111.9(2) ?
    N4 C19 H19A . . 109.2 ?
    N3 C19 H19A . . 109.2 ?
    N4 C19 H19B . . 109.2 ?
    N3 C19 H19B . . 109.2 ?
    H19A C19 H19B . . 107.9 ?
    N4 C20 N2 . . 112.3(2) ?
    N4 C20 H20A . . 109.1 ?
    N2 C20 H20A . . 109.1 ?
    N4 C20 H20B . . 109.1 ?
    N2 C20 H20B . . 109.1 ?
    H20A C20 H20B . . 107.9 ?
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
    C3 O3 B1 O6 . . . . -94.9(3) ?
    C3 O3 B1 O1 . . . . 26.1(3) ?
    C3 O3 B1 O4 . . . . 142.7(2) ?
    C10 O6 B1 O3 . . . . -87.8(3) ?
    C10 O6 B1 O1 . . . . 147.3(2) ?
    C10 O6 B1 O4 . . . . 32.4(3) ?
    C1 O1 B1 O3 . . . . -25.2(4) ?
    C1 O1 B1 O6 . . . . 98.5(3) ?
    C1 O1 B1 O4 . . . . -142.8(2) ?
    C8 O4 B1 O3 . . . . 91.8(3) ?
    C8 O4 B1 O6 . . . . -30.9(3) ?
    C8 O4 B1 O1 . . . . -146.5(2) ?
    B1 O1 C1 O2 . . . . -170.0(2) ?
    B1 O1 C1 C2 . . . . 11.6(4) ?
    O2 C1 C2 C3 . . . . -176.4(2) ?
    O1 C1 C2 C3 . . . . 1.9(3) ?
    O2 C1 C2 C7 . . . . 1.9(4) ?
    O1 C1 C2 C7 . . . . -179.8(2) ?
    B1 O3 C3 C2 . . . . -14.7(4) ?
    B1 O3 C3 C4 . . . . 167.4(2) ?
    C7 C2 C3 O3 . . . . -178.5(2) ?
    C1 C2 C3 O3 . . . . -0.2(4) ?
    C7 C2 C3 C4 . . . . -0.6(4) ?
    C1 C2 C3 C4 . . . . 177.7(2) ?
    O3 C3 C4 C5 . . . . 178.0(3) ?
    C2 C3 C4 C5 . . . . 0.0(4) ?
    C3 C4 C5 C6 . . . . 0.4(5) ?
    C4 C5 C6 C7 . . . . -0.2(5) ?
    C5 C6 C7 C2 . . . . -0.3(5) ?
    C3 C2 C7 C6 . . . . 0.8(4) ?
    C1 C2 C7 C6 . . . . -177.5(3) ?
    B1 O4 C8 O5 . . . . -170.9(2) ?
    B1 O4 C8 C9 . . . . 12.1(4) ?
    O5 C8 C9 C10 . . . . -169.9(2) ?
    O4 C8 C9 C10 . . . . 6.9(3) ?
    O5 C8 C9 C14 . . . . 6.4(4) ?
    O4 C8 C9 C14 . . . . -176.8(2) ?
    B1 O6 C10 C9 . . . . -16.5(3) ?
    B1 O6 C10 C11 . . . . 165.7(2) ?
    C14 C9 C10 O6 . . . . 179.1(2) ?
    C8 C9 C10 O6 . . . . -4.6(3) ?
    C14 C9 C10 C11 . . . . -3.2(3) ?
    C8 C9 C10 C11 . . . . 173.2(2) ?
    O6 C10 C11 C12 . . . . -179.7(2) ?
    C9 C10 C11 C12 . . . . 2.5(4) ?
    C10 C11 C12 C13 . . . . 0.0(4) ?
    C11 C12 C13 C14 . . . . -1.7(4) ?
    C12 C13 C14 C9 . . . . 1.0(4) ?
    C10 C9 C14 C13 . . . . 1.4(4) ?
    C8 C9 C14 C13 . . . . -174.8(2) ?
    C18 N2 C15 N1 . . . . 58.8(3) ?
    C20 N2 C15 N1 . . . . -58.5(3) ?
    C16 N1 C15 N2 . . . . -59.0(3) ?
    C17 N1 C15 N2 . . . . 58.6(3) ?
    C18 N3 C16 N1 . . . . -58.2(3) ?
    C19 N3 C16 N1 . . . . 58.8(3) ?
    C17 N1 C16 N3 . . . . -59.5(3) ?
    C15 N1 C16 N3 . . . . 58.6(3) ?
    C19 N4 C17 N1 . . . . -59.7(3) ?
    C20 N4 C17 N1 . . . . 58.9(3) ?
    C16 N1 C17 N4 . . . . 59.3(3) ?
    C15 N1 C17 N4 . . . . -58.5(3) ?
    C16 N3 C18 N2 . . . . 59.2(3) ?
    C19 N3 C18 N2 . . . . -58.1(3) ?
    C15 N2 C18 N3 . . . . -59.9(3) ?
    C20 N2 C18 N3 . . . . 57.9(3) ?
    C17 N4 C19 N3 . . . . 60.2(3) ?
    C20 N4 C19 N3 . . . . -58.8(3) ?
    C16 N3 C19 N4 . . . . -59.2(3) ?
    C18 N3 C19 N4 . . . . 58.3(3) ?
    C17 N4 C20 N2 . . . . -60.5(3) ?
    C19 N4 C20 N2 . . . . 58.8(3) ?
    C15 N2 C20 N4 . . . . 60.1(3) ?
    C18 N2 C20 N4 . . . . -57.7(3) ?
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
    N1 H1 O5 2_666 0.91 1.91 2.778(3) 160
    N1 H1 O4 2_666 0.91 2.53 3.186(3) 129
data_global
_journal_date_recd_electronic     2007-08-11
_journal_date_accepted     2007-08-28
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue     10
_journal_page_first     o3946
_journal_page_last     o3946
_journal_paper_category     QO
_journal_coeditor_code     BI2234
_publ_contact_author_name     'Zhi-Hong Liu'
_publ_contact_author_address
;
School of Chemistry and Materials Science
ShaanXi Normal University
Xi'an 710062
People's Republic of China
;
_publ_contact_author_email     liuzh@snnu.edu.cn
_publ_contact_author_fax      862985307774
_publ_contact_author_phone      862985307765
_publ_section_title
;
Hexamethylenetetraminium disalicylatoborate
;
loop_
    _publ_author_name
    _publ_author_address
    'Wei-He Han'
;
School of Chemistry and Materials Science
ShaanXi Normal University
Xi'an 710062
People's Republic of China
;
    'Ping Li'
;
School of Chemistry and Materials Science
ShaanXi Normal University
Xi'an 710062
People's Republic of China
;
    'Zhi-Hong Liu'
;
School of Chemistry and Materials Science
ShaanXi Normal University
Xi'an 710062
People's Republic of China
;
_exptl_special_details
;
Bands obtained from the IR spectroscopic measurements were assigned with
reference to the literature (Li et al., 1995): 2961 cm⁻¹ (N---H);
1001 cm⁻¹ and 822 cm⁻¹ (B₍₄₎---O); 1648 cm⁻¹ (C=O); 1608 cm⁻¹
and 1470 cm⁻¹ (phenyl).
;
