Crystallography Open Database

Information card for entry 4124176

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Coordinates	4124176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H52 Hf6 O32
Calculated formula	C96 H48 Hf6 O32
Title of publication	Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.
Authors of publication	Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	30
Pages of publication	9527 - 9530
a	30.1107 ± 0.0012 Å
b	30.1107 ± 0.0012 Å
c	30.1107 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	27300 ± 1.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0491
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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