Crystallography Open Database

Information card for entry 7222897

Preview

Coordinates	7222897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H74 Cd N4 O10 S2
Calculated formula	C78 H74 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	28.7379 ± 0.0011 Å
b	13.4646 ± 0.0004 Å
c	18.2108 ± 0.0008 Å
α	90°
β	108.003 ± 0.004°
γ	90°
Cell volume	6701.6 ± 0.5 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	0.0604
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7222897.html