Crystallography Open Database

Information card for entry 1514918

Preview

Coordinates	1514918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cu N4 O5
Calculated formula	C24 H22 Cu N4 O5
SMILES	c1(ccncc1)c1cc2c3cccc[n]3[Cu]3([n]2c(c1)c1cccc[n]31)(OC(=O)C)OC(=O)C.O
Title of publication	"Turn on" electron-transfer-based selective detection of ascorbic acid via copper complexes immobilized on glass.
Authors of publication	Singh, Vikram; Mondal, Prakash Chandra; Lakshmanan, Jeyachandran Yekkoni; Zharnikov, Michael; Gupta, Tarkeshwar
Journal of publication	The Analyst
Year of publication	2012
Journal volume	137
Journal issue	14
Pages of publication	3216 - 3219
a	8.7402 ± 0.0004 Å
b	10.657 ± 0.0006 Å
c	13.3251 ± 0.0005 Å
α	73.598 ± 0.004°
β	81.236 ± 0.004°
γ	66.007 ± 0.005°
Cell volume	1086.77 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0355
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514918.cif
110781	2014-04-20	cif/ Adding structures of 1514918 via cif-deposit CGI script.	1514918.cif