Crystallography Open Database

Information card for entry 7225805

Preview

Coordinates	7225805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cu4 N24 O40 Si W12
Calculated formula	C40 H32 Cu4 N24 O40 Si W12
Title of publication	Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands
Authors of publication	Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	34
Pages of publication	6389
a	12.482 ± 0.003 Å
b	14.603 ± 0.003 Å
c	21.09 ± 0.004 Å
α	97.12 ± 0.03°
β	97.82 ± 0.03°
γ	105.37 ± 0.03°
Cell volume	3620.3 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
186354 (current)	2016-09-10	cif/ Updating files of 7225804, 7225805 Original log message: Adding full bibliography for 7225804--7225805.cif.	7225805.cif
184200	2016-07-05	cif/ Adding structures of 7225804, 7225805 via cif-deposit CGI script.	7225805.cif