Crystallography Open Database

Information card for entry 7206145

7206144 << 7206145 >> 7206146

Preview

Coordinates	7206145.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-nitronitrosobenzene
Chemical name	4-nitronitrosobenzene
Formula	C6 H4 N2 O3
Calculated formula	C6 H4 N1.998 O2.998
Title of publication	Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation
Authors of publication	Halasz, Ivan; Vančik, Hrvoj
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	4307
a	5.8638 ± 0.0012 Å
b	5.0832 ± 0.0011 Å
c	10.708 ± 0.002 Å
α	90°
β	92.124 ± 0.016°
γ	90°
Cell volume	318.95 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.295
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180392 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61.	7206145.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206145.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206145.cif
23527	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206145, 7206146 via cif-deposit CGI script.	7206145.cif