#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/31/2103174.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_2103174
loop_
_publ_author_name
'Marsh, Richard E.'
'Kapon, Moshe'
'Hu, Shengzhi'
'Herbstein, Frank H.'
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     'Rh (C6 H5) Cl2 (P (C6 H5)3)2'
_chemical_formula_sum            'C42 H35 Cl2 P2 Rh'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.3
_cell_angle_beta                 94.0
_cell_angle_gamma                90.1
_cell_formula_units_Z            4
_cell_length_a                   12.99
_cell_length_b                   13.93
_cell_length_c                   20.11
_cell_volume                     3629.996
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_13S
_cod_original_sg_symbol_H-M      'C2/c '
_cod_original_formula_sum        ' Rh(C6H5)Cl2(PPh3)2  '
_cod_database_code               2103174
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rh .0000 .2740 .2500
Cl1 -.1629 .2575 .2936
P1 .0940 .2650 .3552
C1 .0000 .4186 .2500
C2 .0604 .4686 .2070
C3 .0604 .5688 .2070
C4 .0000 .6188 .2500
C11 .1363 .1404 .3696
C12 .1372 .0760 .3166
C13 .1714 -.0188 .3270
C14 .2040 -.0492 .3900
C15 .2011 .0133 .4434
C16 .1680 .1082 .4334
C21 .2121 .3399 .3634
C22 .2032 .4391 .3558
C23 .2915 .4963 .3594
C24 .3886 .4544 .3706
C25 .3975 .3552 .3783
C26 .3092 .2979 .3746
C31 .0250 .2905 .4302
C32 .0515 .3664 .4731
C33 -.0034 .3817 .5293
C34 -.0849 .3210 .5424
C35 -.1114 .2451 .4994
C36 -.0565 .2298 .4432
loop_
_atom_type_symbol
C
Rh
Cl
P
