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#$Date: 2008-04-03 13:11:48 +0300 (Thu, 03 Apr 2008) $
#$Revision: 326 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100945.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_2100945
loop_
_publ_author_name
'Toriumi, K.'
'Yamashita, M.'
'Kurita, S.'
'Murase, I.'
'Ito, T.'
_publ_section_title
;
 Phase transitions of the halogen-bridged
 <i>M</i>^II^--<i>X</i>--<i>M</i>^IV^ mixed-valence complexes
 [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd;
 <i>X</i> = Cl, Br). Structural studies of the high- and
 low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              497
_journal_page_last               506
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H32 Br2 Cl4 N8 O16 Pt2'
_chemical_formula_weight         1188.16
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_formula_units_Z            2
_cell_length_a                   13.563(2)
_cell_length_b                   10.939(3)
_cell_length_c                   9.664(2)
_cell_volume                     1433.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    13.66
_exptl_crystal_density_diffrn    2.752
_exptl_crystal_F_000             558
_[local]_cod_data_source_file    as0410.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt .0 .2500 .0
Br .0 .02390(10) .0
N(1) .1007(4) .2475(5) .1593(5)
C(1) .0474(6) .2794(6) .2913(7)
Cl(1) .2981(2) .5000 .0796(3)
O(1) .2627(5) .3928(5) .0184(6)
O(2) .4070(15) .5000 .032(2)
O(3) .300(3) .5000 .220(2)
O(2') .386(2) .5000 .141(6)
O(3') .224(3) .5000 .193(2)
H(1) .127(6) .153(6) .168(7)
H(2) .147(6) .307(7) .155(7)
H(3) .079(5) .249(5) .366(7)
H(4) .053(7) .345(7) .281(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt Br 2.4730(10)
Pt Br 2.9960(10)
Pt N(1) 2.058(5)
N(1) C(1) 1.508(9)
C(1) C(2) 1.438(12)
Cl(1) O(11) 1.399(6)
Cl(1) O(12) 1.55(2)
Cl(1) O(13) 1.36(2)
Cl(2) O(2') 1.33(3)
Cl(2) O(3') 1.48(3)
Cl(2) O(3') 1.48(3)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Br Pt N(1) 89.2(2)
N(1) Pt N(2) 83.2(2)
Pt N(1) C(1) 108.2(4)
N(1) C(1) C(2) 109.0(6)