Crystallography Open Database

Information card for entry 1512850

Preview

Coordinates	1512850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 Cu N5 O2
Calculated formula	C14 H19 Cu N5 O2
Title of publication	A polynuclear helical and two dinuclear copper(II) complexes of a monocondensed N,N,O donor Schiff base with pseudohalides as co-ligand
Authors of publication	Pallab Bhowmik; Shouvik Chattopadhyay; Michael G.B. Drew; Ashutosh Ghosh
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	24 - 32
a	16.8018 ± 0.0017 Å
b	10.7634 ± 0.0012 Å
c	17.9184 ± 0.0016 Å
α	90°
β	103.855 ± 0.01°
γ	90°
Cell volume	3146.2 ± 0.6 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	0.2275
Residual factor for significantly intense reflections	0.1009
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	1512850.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512850.cif
90997	2013-11-22	cif/ Adding structures of 1512850 via cif-deposit CGI script.	1512850.cif