Crystallography Open Database

Information card for entry 2009160

2009159 << 2009160 >> 2009161

Preview

Coordinates	2009160.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H11 Cl2 N O5
Calculated formula	C10 H11 Cl2 N O5
Title of publication	1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks
Authors of publication	Ishida, Hiroyuki; Kashino, Setsuo
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	11
Pages of publication	1923 - 1926
a	9.222 ± 0.002 Å
b	9.241 ± 0.004 Å
c	8.644 ± 0.004 Å
α	116.26 ± 0.03°
β	113.55 ± 0.03°
γ	92.65 ± 0.03°
Cell volume	582.9 ± 0.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections	1.51
Goodness-of-fit parameter for all reflections included in the refinement	1.51
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2009160.html