#------------------------------------------------------------------------------
#$Date: 2016-12-12 08:18:38 +0100 (lun 12 de dic de 2016) $
#$Revision: 189065 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/08/4030831.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_4030831
loop_
_publ_author_name
'Frohn, H. J.'
'Giesen, M.'
'Welting, D.'
'Henkel, G.'
_publ_section_title
;
 Contributions to the chemistry of brominetrifluorides. Part 2.
 Bis(pentafluorophenyl)brominium cations with weak nucleophilic
 fluoroelementate anions
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              841
_journal_page_last               853
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'C12 B Br F14'
_chemical_formula_weight         500.84
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.259(2)
_cell_length_b                   11.411(2)
_cell_length_c                   11.892(2)
_cell_volume                     1527.8(5)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.84
_exptl_crystal_density_diffrn    2.177
_refine_ls_number_parameters     254
_refine_ls_number_reflns         1607
_refine_ls_R_factor_gt           0.0479
_refine_ls_wR_factor_gt          0.0481
_cod_data_source_file            EJSSIC-1996-33-841-853-1.cif
_cod_data_source_block           (C6F5)2Br[BF4]
_cod_depositor_comments
;
 No atomic coordinates in the paper.

 Replacing dummy atoms with unknown values. This is the
 standard way of marking entries in the COD that do not
 contain atom coordinates.

 Antanas Vaitkus,
 2016-12-12
;
_cod_original_cell_volume        1527.54
_cod_database_code               4030831
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-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
? ? ? ? ? ?
