Crystallography Open Database

Information card for entry 4348001

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Coordinates	4348001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H48 O32 Zr6
Calculated formula	C84 H48 O32 Zr6
Title of publication	Integration of accessible secondary metal sites into MOFs for H2S removal
Authors of publication	Nickerl, Georg; Leistner, Matthias; Helten, Stella; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	4
Pages of publication	325
a	26.896 ± 0.003 Å
b	26.896 ± 0.003 Å
c	26.896 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	19456 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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