Crystallography Open Database

Information card for entry 1567205

Preview

Coordinates	1567205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H174 K2 N5 O14 Si10 U2
Calculated formula	C72 H174 K2 N5 O14 Si10 U2
Title of publication	Nitrogen activation and cleavage by a multimetallic uranium complex.
Authors of publication	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	27
Pages of publication	8025 - 8035
a	20.57855 ± 0.00015 Å
b	19.40862 ± 0.00016 Å
c	26.9671 ± 0.0002 Å
α	90°
β	91.6235 ± 0.0008°
γ	90°
Cell volume	10766.4 ± 0.14 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	7
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	0.0488
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
277096 (current)	2022-08-06	cif/ Updating files of 1567201, 1567202, 1567203, 1567204, 1567205, 1567206, 1567207, 1567208, 1567209, 1567210, 1567211, 1567212 Original log message: Adding full bibliography for 1567201--1567212.cif.	1567205.cif
276455	2022-07-01	cif/ Adding structures of 1567201, 1567202, 1567203, 1567204, 1567205, 1567206, 1567207, 1567208, 1567209, 1567210, 1567211, 1567212 via cif-deposit CGI script.	1567205.cif