Crystallography Open Database

Information card for entry 1564373

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Coordinates	1564373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H179 N O26 Si6 U2
Calculated formula	C80 H179 N O26 Si6 U2
Title of publication	Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides
Authors of publication	Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2021
a	25.5184 ± 0.0004 Å
b	14.0899 ± 0.0004 Å
c	61.6564 ± 0.0014 Å
α	90°
β	90.99 ± 0.0019°
γ	90°
Cell volume	22165.4 ± 0.9 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 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	0.1012
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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