Crystallography Open Database

Information card for entry 1517717

Preview

Coordinates	1517717.cif

Structure parameters

Formula	C10 H19 Cl2 Cu N3 O10
Calculated formula	C10 H19 Cl2 Cu N3 O10
SMILES	[Cu]12(OCl(=O)(=O)=O)([NH](Cc3[n]1cccc3)CC[N]2(C)C)[OH2].Cl(=O)(=O)(=O)[O-].O
Title of publication	Nitric oxide sensors based on copper(II) complexes of N-donor ligands
Authors of publication	Pankaj Kumar; Apurba Kalita; Biplab Mondal
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	88 - 96
a	9.1118 ± 0.0002 Å
b	9.2782 ± 0.0002 Å
c	22.1845 ± 0.0006 Å
α	90°
β	100.041 ± 0.001°
γ	90°
Cell volume	1846.78 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517717.cif
123773	2014-09-12	cif/ Adding structures of 1517717 via cif-deposit CGI script.	1517717.cif