Crystallography Open Database

Information card for entry 1552190

Preview

Coordinates	1552190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H208 N2 O24 Si6 U2
Calculated formula	C95 H208 N2 O24 Si6 U2
SMILES	C(C)(C)(C)O[Si](O[U]1([H][U](N1)(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[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)(OC(C)(C)C)OC(C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.c1(ccccc1)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	13.74703 ± 0.00014 Å
b	32.4889 ± 0.0003 Å
c	27.4987 ± 0.0003 Å
α	90°
β	99.081 ± 0.001°
γ	90°
Cell volume	12127.7 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
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	0.0355
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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

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.	1552190.cif