Crystallography Open Database

Information card for entry 1552194

Preview

Coordinates	1552194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H89 N5 O2 Si10 U2
Calculated formula	C31 H89 N5 O2 Si10 U2
SMILES	[U]1(O[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)OC(=C)[Si](N1[Si](C)(C)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	14.4014 ± 0.0006 Å
b	19.5701 ± 0.0008 Å
c	20.1516 ± 0.0009 Å
α	91.085 ± 0.004°
β	92.236 ± 0.004°
γ	91.691 ± 0.004°
Cell volume	5671.5 ± 0.4 Å³
Cell temperature	139.99 ± 0.11 K
Ambient diffraction temperature	139.99 ± 0.11 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	0.1113
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.215
Weighted residual factors for all reflections included in the refinement	0.2269
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
217511 (current)	2019-08-14	cif/ Adding structures of 1552189, 1552190, 1552191, 1552192, 1552193, 1552194, 1552195, 1552196 via cif-deposit CGI script.	1552194.cif