#------------------------------------------------------------------------------
#$Date: 2017-08-03 01:37:41 +0200 (jue 03 de ago de 2017) $
#$Revision: 199473 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/33/2103351.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_2103351
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 The space groups of point group C₃: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C24 H20 N4 Cl2 Pd'
_chemical_formula_sum            'C24 H20 Cl2 N4 Pd'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   9.136
_cell_length_b                   9.136
_cell_length_c                   23.340
_cell_volume                     1687.111
_cod_data_source_file            bk0117.cif
_cod_data_source_block           DCAZPD
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C24 H20 N4 Cl2 Pd'
_cod_database_code               2103351
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd1 0.20442 0.20442 0.0
Cl1 0.45458 0.45458 0.0
Cl2 -0.04723 -0.04723 0.0
C11 0.2709 0.1423 0.1196
C12 0.2350 0.1084 0.1775
C13 0.3085 0.0321 0.2086
C14 0.4181 -0.0102 0.1817
C15 0.4540 0.0237 0.1237
C16 0.3804 0.1000 0.0926
C21 0.0730 0.3825 0.0885
C22 -0.0642 0.2978 0.0518
C23 -0.1456 0.3800 0.0302
C24 -0.0897 0.5470 0.0452
C25 0.0474 0.6318 0.0818
C26 0.1288 0.5495 0.1035
N1 0.1995 0.2222 0.0863
N2 0.1539 0.3046 0.1159
H12 0.1599 0.1374 0.1958
H13 0.2840 0.0089 0.2482
H14 0.4685 -0.0624 0.2030
H15 0.5291 -0.0053 0.1053
H16 0.4050 0.1232 0.0530
H22 -0.1024 0.1834 0.0416
H23 -0.2395 0.3220 0.0050
H24 -0.1454 0.6034 0.0303
H25 0.0857 0.7461 0.0920
H26 0.2228 0.6075 0.1286
