#------------------------------------------------------------------------------
#$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005584.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_2005584
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2894
_journal_page_last 	2896
_publ_section_title
;
5-Phenylindazole
;
_chemical_formula_moiety 	'C13 H10 N2'
_chemical_formula_sum 	'C13 H10 N2'
_chemical_formula_analytical 	'C13 H10 N2'
_chemical_formula_weight 	194.23
_symmetry_cell_setting 	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
 +x,+y,+z
 1/2-x,-y,1/2+z
 1/2+x,1/2-y,-z
 -x,1/2+y,1/2-z
 -x,-y,-z
 1/2+x,+y,1/2-z
 1/2-x,1/2+y,+z
 +x,1/2-y,1/2+z
_symmetry_space_group_name_H-M 	'P b c a'
_cell_length_a 	5.9740(4)
_cell_length_b 	8.2261(7)
_cell_length_c 	40.685(4)
_cell_angle_alpha 	90.00000
_cell_angle_beta 	90.00000
_cell_angle_gamma 	90.00000
_cell_volume 	1999.4(3)
_cell_formula_units_Z 	8
_exptl_crystal_density_diffrn 	1.291
_cell_measurement_temperature 	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N1 .5520(4) .3310(3) .52819(5) .046(1)
 N2 .3534(4) .2507(3) .52585(5) .049(1)
 C3 .2488(5) .2743(3) .55408(6) .046(1)
 C31 .3804(4) .3697(3) .57590(6) .039(1)
 C4 .3551(4) .4281(3) .60811(6) .040(1)
 C5 .5252(4) .5195(3) .62202(5) .039(1)
 C6 .7219(4) .5500(3) .60295(6) .042(1)
 C7 .7504(5) .4951(3) .57158(6) .042(1)
 C71 .5770(4) .4026(3) .55812(6) .039(1)
 C8 .5099(4) .5805(3) .65648(6) .041(1)
 C9 .3743(5) .5046(4) .67962(7) .055(2)
 C10 .3626(6) .5599(4) .71174(7) .061(2)
 C11 .4855(5) .6919(4) .72154(6) .056(2)
 C12 .6211(6) .7685(4) .69918(7) .060(2)
 C13 .6326(5) .7142(4) .66699(7) .054(2)
 H1 .648(5) .326(3) .5115(7) .019(7)
 H3 .101(6) .224(4) .5593(8) .039(9)
 H4 .221(5) .406(3) .6209(6) .017(7)
 H6 .846(5) .616(3) .6135(7) .021(7)
 H7 .892(5) .518(4) .5581(7) .024(7)
 H9 .292(5) .409(4) .6728(7) .030(8)
 H10 .277(6) .506(4) .7275(8) .041(9)
 H11 .475(5) .728(4) .7449(8) .032(8)
 H12 .701(6) .865(4) .7055(8) .05(1)
 H13 .723(6) .774(4) .6511(7) .033(8)