Crystallography Open Database

Information card for entry 1552193

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Structure parameters

Formula	C36 H108 N6 O3 Si12 U3
Calculated formula	C36 H108 N6 O3 Si12 U3
SMILES	[U]1(O[U](O[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)O1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
Authors of publication	Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2019
a	12.4529 ± 0.0004 Å
b	21.71 ± 0.0006 Å
c	26.886 ± 0.0007 Å
α	83.801 ± 0.002°
β	78.048 ± 0.003°
γ	78.888 ± 0.003°
Cell volume	6960.2 ± 0.4 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1552193.cif
217511	2019-08-14	cif/ Adding structures of 1552189, 1552190, 1552191, 1552192, 1552193, 1552194, 1552195, 1552196 via cif-deposit CGI script.	1552193.cif