Crystallography Open Database

Information card for entry 1543101

Preview

Coordinates	1543101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H72 N O Si2 U
Calculated formula	C41 H72 N O Si2 U
SMILES	[U]123456789%10%11(=O)(C#[N]C(C)(C)C)([CH]%12=[CH]1[CH]2=[CH]3[C]4([Si](C(C)C)(C(C)C)C(C)C)=[CH]5[CH]6=[C]7%12[Si](C(C)C)(C(C)C)C(C)C)[c]1([c]8([c]9([c]%10([c]1%11C)C)C)C)C
Title of publication	Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Authors of publication	Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	7
Pages of publication	4624
a	22.8816 ± 0.0013 Å
b	12.0603 ± 0.0005 Å
c	16.2087 ± 0.0008 Å
α	90°
β	108.372 ± 0.006°
γ	90°
Cell volume	4245 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0804
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
185121 (current)	2016-08-07	cif/ Updating files of 1543100, 1543101, 1543102, 1543103, 1543104, 1543105 Original log message: Adding full bibliography for 1543100--1543105.cif.	1543101.cif
182057	2016-04-13	cif/ Adding structures of 1543100, 1543101, 1543102, 1543103, 1543104, 1543105 via cif-deposit CGI script.	1543101.cif