#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/32/2103204.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_2103204
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_sum            'C36 H34 N4'
_chemical_name_systematic
(N,N'-Dibenzyl-N,N'-di(quinoline-2-methyl))-1,2-ethylenediamine
_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                90.00
_cell_angle_beta                 123.26
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.834
_cell_length_b                   6.361
_cell_length_c                   17.283
_cell_volume                     2834.520
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_43S
_cod_original_sg_symbol_H-M      ' C2/c  '
_cod_original_formula_sum        ' C36H34N4    '
_cod_database_code               2103204
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
N1,3 .0519 .1560 -.0014
N2,4 .1672 .1684 .2309
C1,2 .0189 .0860 .0309
C3,20 -.0991 -.2549 -.0748
C4,21 -.1369 -.0984 -.1455
C5,22 -.1403 .1089 -.1182
C6,23 -.1771 .2424 -.1829
C7,24 -.2104 .1739 -.2745
C8,25 -.2495 .3055 -.3453
C9,26 -.2810 .2280 -.4338
C10,27 -.2749 .0222 -.4549
C11,28 -.2372 -.1079 -.3877
C12,29 -.2043 -.0348 -.2961
C13,30 -.0240 -.3004 .0802
C14,31 -.0543 -.3485 .1233
C15,36 -.0616 -.5534 .1411
C16,35 -.0885 -.5951 .1828
C17,34 -.1099 -.4363 .2044
C18,33 -.1030 -.2307 .1864
C19,32 -.0753 -.1874 .1471
loop_
_atom_type_symbol
C
N
