Crystallography Open Database

Information card for entry 4104239

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Coordinates	4104239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H59 B F15 N4 O0.5 U
Calculated formula	C56 H59 B F15 N4 O0.5 U
Title of publication	Uranium-Nitrogen Multiple Bonding: The Case of a Four-Coordinate Uranium(VI) Nitridoborate Complex
Authors of publication	Alexander R. Fox; Christopher C. Cummins
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	5716 - 5717
a	12.8381 ± 0.0006 Å
b	14.0439 ± 0.0007 Å
c	17.3667 ± 0.0008 Å
α	102.684 ± 0.001°
β	90.381 ± 0.001°
γ	106.738 ± 0.001°
Cell volume	2917.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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