Crystallography Open Database

Information card for entry 7115376

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Coordinates	7115376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H43 N3 O24 Zn5
Calculated formula	C48 H18 O24 Zn5
Title of publication	High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units
Authors of publication	Dongmei Wang; Tingting Zhao; Yu Cao; Shuo Yao; Guanghua Li; Qisheng Huo; Yunling Liu
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	8648
a	29.372 ± 0.006 Å
b	15.784 ± 0.003 Å
c	19.14 ± 0.004 Å
α	90°
β	107.16 ± 0.03°
γ	90°
Cell volume	8478 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0952
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2301
Weighted residual factors for all reflections included in the refinement	0.2436
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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