Crystallography Open Database

Information card for entry 7212227

Preview

Coordinates	7212227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 Cu N4 O5
Calculated formula	C15 H23.128 Cu N4 O5.128
Title of publication	Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties
Authors of publication	Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1217
a	15.6709 ± 0.0013 Å
b	10.8951 ± 0.0009 Å
c	11.3147 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1931.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180453 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/22.	7212227.cif
92749	2014-01-12	cif/ Adding structures of 7212222, 7212223, 7212224, 7212225, 7212226, 7212227 via cif-deposit CGI script.	7212227.cif