Crystallography Open Database

Information card for entry 7222896

Preview

Coordinates	7222896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H64 Cd N4 O10 S2
Calculated formula	C70 H64 Cd N4 O10 S2
Title of publication	Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF
Authors of publication	Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	45
Pages of publication	8657
a	28.4302 ± 0.0006 Å
b	13.5048 ± 0.0002 Å
c	18.2481 ± 0.0004 Å
α	90°
β	107.277 ± 0.002°
γ	90°
Cell volume	6690.1 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222896.cif
173759	2016-01-09	cif/ Updating files of 7222893, 7222894, 7222895, 7222896, 7222897 Original log message: Adding full bibliography for 7222893--7222897.cif.	7222896.cif
167064	2015-10-13	cif/ Adding structures of 7222893, 7222894, 7222895, 7222896, 7222897 via cif-deposit CGI script.	7222896.cif