Crystallography Open Database

Information card for entry 1552189

Preview

Coordinates	1552189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H144 N8 Si12 U2
Calculated formula	C52 H144 N8 Si12 U2
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	27.5312 ± 0.0006 Å
b	21.7757 ± 0.0006 Å
c	43.5129 ± 0.0011 Å
α	90°
β	107.785 ± 0.003°
γ	90°
Cell volume	24839.8 ± 1.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	1552189.cif