Crystallography Open Database

Information card for entry 7108749

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Coordinates	7108749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H38 O24 Zn5
Calculated formula	C45 H38 O24 Zn5
Title of publication	A porous metal-organic framework based on Zn6O2 clusters:: chemical stability, gas adsorption properties and solvatochromic behavior
Authors of publication	Jiehu Cui; Yizhi Li; Zijian Guo; Hegen Zheng
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	555
a	6.3303 ± 0.0004 Å
b	12.6819 ± 0.0008 Å
c	15.6877 ± 0.001 Å
α	95.711 ± 0.001°
β	99.773 ± 0.001°
γ	97.973 ± 0.001°
Cell volume	1219.33 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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