#------------------------------------------------------------------------------
#$Date: 2016-01-03 13:27:57 +0100 (dom 03 de ene de 2016) $
#$Revision: 173412 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/37/7223715.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_7223715
loop_
_publ_author_name
'Mueller, G.'
'Brand, J.'
_publ_section_title
;
 The low-temperature polymorph of tetramethyldiphosphine- bis(monoborane):
 insight into the stabilization of different rotational isomers in the
 solid state
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1
_journal_page_last               6
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'C4 H18 B2 P2'
_chemical_name_systematic        '((C H3)2 (H3 B) P2 (B H3) (C H3)2)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.993
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4635
_cell_length_b                   7.6048
_cell_length_c                   11.8672
_cell_volume                     505.202
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Mueller_ZNBSEN_2004_546.cif
_cod_data_source_block           C4H18B2P2
_cod_original_cell_volume        505.2021
_cod_database_code               7223715
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
P1 P 0.58342 0.38444 0.06067 1 0.0
H5 H 0.937 0.538 0.1822 1 0.0
H2 H 0.784 0.164 0.0226 1 0.0
C1 C 0.7009 0.26446 -0.02605 1 0.0
H1 H 0.575 0.225 -0.1057 1 0.0
H7 H 0.488 0.143 0.1572 1 0.0
C2 C 0.8382 0.4742 0.20395 1 0.0
H8 H 0.231 0.2 0.0003 1 0.0
H4 H 0.787 0.546 0.2455 1 0.0
H3 H 0.806 0.332 -0.0384 1 0.0
H9 H 0.309 0.335 0.1449 1 0.0
H6 H 0.917 0.38 0.2571 1 0.0
B1 B 0.3718 0.2481 0.09509 1 0.0
