Crystallography Open Database

Information card for entry 1567298

Preview

Coordinates	1567298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H176 O25 Rb2 Si6 U2
Calculated formula	C78 H176 O25 Rb2 Si6 U2
Title of publication	Cation assisted binding and cleavage of dinitrogen by uranium complexes
Authors of publication	Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	32
Pages of publication	9232 - 9242
a	14.04416 ± 0.00015 Å
b	29.0153 ± 0.0003 Å
c	27.517 ± 0.0003 Å
α	90°
β	91.0486 ± 0.0009°
γ	90°
Cell volume	11211.2 ± 0.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
277654 (current)	2022-09-06	cif/ Updating files of 1567298, 1567299, 1567300, 1567301, 1567302, 1567303, 1567304, 1567305 Original log message: Adding full bibliography for 1567298--1567305.cif.	1567298.cif
276803	2022-07-23	cif/ Adding structures of 1567298, 1567299, 1567300, 1567301, 1567302, 1567303, 1567304, 1567305 via cif-deposit CGI script.	1567298.cif