Crystallography Open Database

Information card for entry 1517716

Preview

Coordinates	1517716.cif

Structure parameters

Formula	C8 H24 Cl2 Cu N4 O9
Calculated formula	C8 H24 Cl2 Cu N4 O9
SMILES	[Cu]12([N](C)(CC[NH2]2)C)[N](C)(CC[NH2]1)C.Cl(=O)(=O)(=O)[O-].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	8.6454 ± 0.0005 Å
b	14.3954 ± 0.0008 Å
c	14.9911 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1865.7 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	1517716.cif
123772	2014-09-12	cif/ Adding structures of 1517716 via cif-deposit CGI script.	1517716.cif