Crystallography Open Database

Information card for entry 1550615

Preview

Coordinates	1550615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H162 K N O24 Si6 U2
Calculated formula	C72 H162 K N O24 Si6 U2
SMILES	[U]([O]([K]1234)[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]2[Si]([O]3C(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)=[N]=[U]([O]4[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	Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex
Authors of publication	Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2019
a	14.21 ± 0.003 Å
b	28.1537 ± 0.0019 Å
c	27.91 ± 0.003 Å
α	90°
β	104.632 ± 0.008°
γ	90°
Cell volume	10804 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213693 (current)	2019-02-19	cif/ Adding structures of 1550615, 1550616, 1550617, 1550618, 1550619, 1550620 via cif-deposit CGI script.	1550615.cif