Crystallography Open Database

Information card for entry 4116492

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Coordinates	4116492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 F6 N2 O2 U2
Calculated formula	C4 H6 F6 N2 O4 U2
Title of publication	The First Open Framework Actinide Material (C4N2H12)U2O4F6 (MUF-1)
Authors of publication	P. S. Halasyamani; S. M. Walker; D. O'Hare
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	7415 - 7416
a	9.108 ± 0.001 Å
b	10.059 ± 0.001 Å
c	13.633 ± 0.001 Å
α	90°
β	97.023 ± 0.001°
γ	90°
Cell volume	1239.6 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
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	0.0403
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for all reflections	0.1031
Weighted residual factors for significantly intense reflections	0.1029
Goodness-of-fit parameter for all reflections	1.103
Goodness-of-fit parameter for significantly intense reflections	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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