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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/60/4086070.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_4086070
loop_
_publ_author_name
'Ilg, R.'
'Troegel, D.'
'Burschka, C.'
'Tacke, R.'
_publ_section_title
;
 Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H,
 O Ac, O H, Br, I)
;
_journal_name_full               Organometallics
_journal_page_first              548
_journal_page_last               551
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C4 H8 Br4 Si'
_chemical_name_systematic        'Si (C H2 Br)4'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.7291
_cell_length_b                   8.7291
_cell_length_c                   6.8619
_cell_volume                     522.857
_citation_journal_id_ASTM        ORGND7
_cod_data_source_file            Ilg_ORGND7_2006_641.cif
_cod_data_source_block           C4H8Br4Si1
_cod_original_cell_volume        522.8575
_cod_original_formula_sum        'C4 H8 Br4 Si1'
_cod_database_code               4086070
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H1 H-1 0.5204 0.3063 0.2539 1 0.0
C1 C+2 0.5962 0.3523 0.3439 1 0.0
Br1 Br-1 0.76348 0.44581 0.19256 1 0.0
H2 H-1 0.6379 0.2696 0.4273 1 0.0
Si1 Si+4 0.5 0.5 0.5 1 0.0
