Crystallography Open Database

Information card for entry 7202569

7202568 << 7202569 >> 7202570

Preview

Coordinates	7202569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 N8 O18 Zn3
Calculated formula	C46 H44 N8 O18 Zn3
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	11.377 ± 0.007 Å
b	20.36 ± 0.012 Å
c	11.665 ± 0.007 Å
α	90°
β	103.981 ± 0.008°
γ	90°
Cell volume	2622 ± 3 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	0.0951
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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.	7202569.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202569.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202569.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.	7202569.cif