#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004735.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_2004735
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	1054
_journal_page_last    	1056
_publ_section_title    	
;
2,4-Pentanedione Bis(2,4-dinitrophenylhydrazone)
;
_chemical_formula_iupac    	'C17 H16 N8 O8'
_chemical_formula_moiety    	'C17 H16 N8 O8'
_chemical_formula_sum    	'C17 H16 N8 O8'
_chemical_formula_weight    	460.362
_symmetry_cell_setting    	triclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	4.987(5)
_cell_length_b    	9.998(3)
_cell_length_c    	20.567(1)
_cell_angle_alpha    	101.81(2)
_cell_angle_beta    	94.21(2)
_cell_angle_gamma    	94.95(2)
_cell_volume    	995.6(9)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.5436
_exptl_crystal_density_meas    	1.54
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
O(1) 1.1648(9) -.5023(4) .7722(2) 7.0(1)
O(2) 1.4768(11) -.5819(5) .8242(2) 10.0(2)
O(3) 1.8637(8) -.3699(4) 1.0406(2) 5.8(1)
O(4) 1.7557(10) -.1703(5) 1.0863(2) 8.5(2)
O(5) -.4411(8) .1461(4) .4390(2) 5.4(1)
O(6) -.1558(9) .3050(5) .4208(2) 7.4(2)
O(7) .6012(6) .4879(4) .5751(2) 5.6(1)
O(8) .6894(7) .4146(3) .6634(2) 5.2(1)
N(1) 1.3213(10) -.4968(4) .8209(2) 5.1(2)
N(2) 1.7268(9) -.2743(5) 1.0415(2) 4.8(2)
N(3) .9680(8) -.2767(4) .8269(2) 3.6(1)
N(4) .7964(7) -.1740(4) .8339(2) 3.5(1)
N(5) .3691(7) .0788(3) .7098(2) 3.1(1)
N(6) .4243(8) .1892(4) .6812(2) 3.2(1)
N(7) -.2327(9) .2244(5) .4538(2) 4.4(1)
N(8) .5473(8) .4099(4) .6112(2) 3.6(1)
C(1) 1.3221(9) -.3849(4) .8788(2) 3.5(1)
C(2) 1.5093(10) -.3822(5) .9320(2) 3.6(2)
C(3) 1.5216(9) -.2780(5) .9868(2) 3.6(1)
C(4) 1.3523(10) -.1749(5) .9902(3) 4.0(2)
C(5) 1.1707(10) -.1757(5) .9376(2) 3.7(1)
C(6) 1.1448(8) -.2807(4) .8788(2) 3.0(1)
C(7) .6648(9) -.1597(4) .7802(2) 3.4(1)
C(8) .6856(13) -.2381(5) .7115(3) 6.0(2)
C(9) .4682(12) -.0524(6) .7895(2) 4.4(2)
C(10) .5391(8) .0658(4) .7580(2) 3.1(1)
C(11) .7931(9) .1562(5) .7843(2) 3.9(1)
C(12) .2613(8) .2025(4) .6276(2) 2.7(1)
C(13) .0291(9) .1101(4) .6045(2) 3.1(1)
C(14) -.1304(10) .1195(5) .5495(2) 3.4(1)
C(15) -.0655(9) .2204(4) .5146(2) 3.3(1)
C(16) .1552(9) .3138(5) .5351(2) 3.3(1)
C(17) .3162(9) .3076(4) .5918(2) 3.0(1)
H(N3) .968(10) -.341(5) .791(2) .07(2)
H(N6) .578(11) .244(5) .695(2) .08(2)
H(C2) 1.611(9) -.449(4) .926(2) .05(1)
H(C4) 1.374(9) -.107(5) 1.029(2) .07(1)
H(C5) 1.043(10) -.106(5) .941(2) .07(1)
H(C8) .554(9) -.204(5) .675(2) .09(2)
H'(C8) .640(9) -.346(5) .707(2) .09(2)
H"(C8) .896(9) -.220(5) .698(2) .09(2)
H(C9) .305(9) -.095(4) .773(2) .04(1)
H'(C9) .456(10) -.019(5) .836(2) .07(1)
H(C11) .896(9) .119(5) .824(2) .09(2)
H'(C11) .750(9) .260(5) .803(2) .09(2)
H"(C11) .929(9) .156(5) .745(2) .09(2)
H(C13) -.039(8) .042(4) .628(2) .05(1)
H(C14) -.289(9) .056(4) .537(2) .06(1)
H(C16) .191(8) .384(4) .515(2) .05(1)