Crystallography Open Database

Information card for entry 1567202

Preview

Coordinates	1567202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H152 K3 N5 O16 Si8 U2
Calculated formula	C67 H152 K3 N5 O16 Si8 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	17.5895 ± 0.0002 Å
b	26.3839 ± 0.0004 Å
c	21.325 ± 0.0003 Å
α	90°
β	99.763 ± 0.001°
γ	90°
Cell volume	9753.2 ± 0.2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.2701
Weighted residual factors for all reflections included in the refinement	0.2894
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	1567202.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.	1567202.cif