Crystallography Open Database

Information card for entry 1562343

Preview

Coordinates	1562343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H170 N2 O25 Si6 U2
Calculated formula	C76 H170 N2 O25 Si6 U2
SMILES	[U]12(=N[U](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]31CCCC3)=N2)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Title of publication	Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides
Authors of publication	Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2021
a	14.1108 ± 0.0003 Å
b	17.5538 ± 0.0003 Å
c	22.2467 ± 0.0004 Å
α	90°
β	91.4964 ± 0.0017°
γ	90°
Cell volume	5508.59 ± 0.18 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264743 (current)	2021-05-01	cif/ Adding structures of 1562341, 1562342, 1562343, 1562344, 1562345 via cif-deposit CGI script.	1562343.cif