#------------------------------------------------------------------------------
#$Date: 2008-04-05 09:13:02 +0100 (Sat, 05 Apr 2008) $
#$Revision: 340 $
#$URL: svn://www.crystallography.net/cod/cif/2/2101357.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101357
loop_
_publ_author_name
'Z\'u\~niga, F. J.'
'Criado, A.'
_publ_section_title
;
 Structure at 140 K, lattice dynamics and phase transition of
 4,4'-dichlorobenzophenone
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              880
_journal_page_last               888
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C13 H8 Cl2 O1'
_chemical_formula_weight         251.1
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 100.14(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   24.620(10)
_cell_length_b                   6.0910(10)
_cell_length_c                   7.476(2)
_cell_volume                     1104(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.55
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_F_000             512
_[local]_cod_data_source_file    hr0007.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cl .214800(10) .50766(5) .79771(4) .03075(9)
O .0 -.1842(2) .75 .0311(4)
C1 .05326(4) .1412(2) .76120(10) .0154(2)
C2 .05500(5) .3497(2) .68270(10) .0178(2)
C3 .10493(5) .4600(2) .6902(2) .0192(3)
C4 .15303(5) .3613(2) .77900(10) .0195(3)
C5 .15291(4) .1521(2) .8561(2) .0202(3)
C6 .10269(4) .0425(2) .84570(10) .0179(2)
C7 .0 .0173(2) .75 .0178(3)
H2 .0205(6) .419(3) .620(2) .027(4)
H3 .1038(6) .605(3) .635(2) .024(4)
H5 .1846(7) .090(3) .912(2) .045(5)
H6 .1002(6) -.098(3) .899(2) .023(4)