Crystallography Open Database

Information card for entry 7202571

7202570 << 7202571 >> 7202572

Preview

Coordinates	7202571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N2 O6
Calculated formula	C12 H12 Cu N2 O6
Title of publication	Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions
Authors of publication	Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	1
Pages of publication	35
a	10.028 ± 0.004 Å
b	12.693 ± 0.005 Å
c	11.881 ± 0.005 Å
α	90°
β	97.236 ± 0.006°
γ	90°
Cell volume	1500.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1022
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	0.642
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
180356 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/25.	7202571.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202571.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202571.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202571.cif