Crystallography Open Database

Information card for entry 7704161

Preview

Coordinates	7704161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cd O6
Calculated formula	C22 H18 Cd O6
Title of publication	Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.
Authors of publication	Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5783 - 5786
a	5.99377 ± 0.00017 Å
b	20.9969 ± 0.0006 Å
c	14.6167 ± 0.0005 Å
α	90°
β	96.052 ± 0.003°
γ	90°
Cell volume	1829.27 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0819
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.1999
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252810 (current)	2020-06-05	cif/ Updating files of 7704160, 7704161, 7704162 Original log message: Adding full bibliography for 7704160--7704162.cif.	7704161.cif
251067	2020-04-23	cif/ Adding structures of 7704160, 7704161, 7704162 via cif-deposit CGI script.	7704161.cif