#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/90/1519026.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_1519026
loop_
_publ_author_name
'Xie, X.'
'Hughbanks, T.'
_publ_section_title
;
 Isolation of a water-stable B-centered hexazirconium bromide cluster,
 trans-[(Zr6BBr12)Br4(H2O)3]3-
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              463
_journal_page_last               471
_journal_volume                  1
_journal_year                    1999
_chemical_formula_sum            'B Br16 H39 O18 Zr6'
_chemical_formula_weight         2164.00
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.370(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.3557(7)
_cell_length_b                   10.0135(1)
_cell_length_c                   18.6388(6)
_cell_volume                     4541.9(2)
_diffrn_ambient_temperature      213
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    15.451
_exptl_crystal_density_diffrn    3.165
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_gt          0.0835
_cod_data_source_file            SSS-1999-1-463-471.cif
_cod_data_source_block           ZrBr
_cod_depositor_comments
;
Atomic coordinates not provided in the paper
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H39 B Br16 O18 Zr6'
_cod_database_code               1519026
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+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
? ? ? ? ? ?
