Crystallography Open Database

Information card for entry 7201175

7201174 << 7201175 >> 7201176

Preview

Coordinates	7201175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Cu N4 O3
Calculated formula	C9 H6 Cu N4 O3
Title of publication	[Cu(N3)(p-CPA)]n: a two dimensional network exhibiting spin reorientation
Authors of publication	Kostakis, George E.; Chandra Mondal, Kartik; Abbas, Ghulam; Lan, Yanhua; Novitchi, Ghenadie; Buth, Gernot; Anson, Christopher E.; Powell, Annie K.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	10
Pages of publication	2084
a	11.4821 ± 0.0011 Å
b	6.3061 ± 0.0006 Å
c	14.7581 ± 0.0014 Å
α	90°
β	107.368 ± 0.002°
γ	90°
Cell volume	1019.87 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0263
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180342 (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 7/20/11.	7201175.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201175.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201175.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201175.cif