Crystallography Open Database

Information card for entry 1552191

Preview

Coordinates	1552191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H147 N6 Na O10 Si11 U2
Calculated formula	C54 H147 N6 Na O10 Si11 U2
SMILES	C(C)(C)(C)O[Si](O[U](=[N]=[U](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)N([Si](C)(C)C)[Si](C)(C)C)(OC(C)(C)C)OC(C)(C)C.[O]1(C)CC[O](C)[Na]231([O](C)CC[O]3C)[O](C)CC[O]2C
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	15.1641 ± 0.0004 Å
b	15.315 ± 0.0004 Å
c	19.3228 ± 0.0006 Å
α	88.488 ± 0.002°
β	87.105 ± 0.002°
γ	82.328 ± 0.002°
Cell volume	4440.8 ± 0.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	1552191.cif