Crystallography Open Database

Information card for entry 1570264

Preview

Coordinates	1570264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H242 K2.8 N4 O42.8 Si7.2 U2.54
Calculated formula	C112 H242 K2.8 N4 O42.8 Si7.2 U2.54
Title of publication	Dinitrogen cleavage by a dinuclear uranium(iii) complex.
Authors of publication	Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	46
Pages of publication	13485 - 13494
a	18.1765 ± 0.0003 Å
b	24.9651 ± 0.0005 Å
c	32.6981 ± 0.0006 Å
α	90°
β	90.4373 ± 0.0017°
γ	90°
Cell volume	14837.3 ± 0.5 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	7
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	0.1323
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2434
Weighted residual factors for all reflections included in the refinement	0.2752
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288738 (current)	2024-01-06	cif/ Updating files of 1570263, 1570264, 1570265, 1570266, 1570267 Original log message: Adding full bibliography for 1570263--1570267.cif.	1570264.cif
287444	2023-11-07	cif/ Adding structures of 1570263, 1570264, 1570265, 1570266, 1570267 via cif-deposit CGI script.	1570264.cif