Crystallography Open Database

Information card for entry 4126092

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Coordinates	4126092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H52 F24 Hf6 O32
Calculated formula	C144 H48 F24 Hf6 O32
Title of publication	Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.
Authors of publication	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	17
Pages of publication	6253 - 6260
a	39.828 ± 0.014 Å
b	39.828 ± 0.014 Å
c	39.828 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	63178 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.1425
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1957
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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