Crystallography Open Database

Information card for entry 7222893

Preview

Coordinates	7222893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H66 Cd N4 O11.5 S2
Calculated formula	C69.5 H66 Cd N4 O11.5 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	28.3363 ± 0.0008 Å
b	13.4618 ± 0.0003 Å
c	18.2577 ± 0.0006 Å
α	90°
β	106.78 ± 0.003°
γ	90°
Cell volume	6668 ± 0.3 Å³
Cell temperature	100.02 ± 0.1 K
Ambient diffraction temperature	100.02 ± 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	0.055
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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