Crystallography Open Database

Information card for entry 1543105

Preview

Coordinates	1543105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H95 K O7 Si2 U
Calculated formula	C55 H95 K O7 Si2 U
SMILES	[U]123456789%10%11([CH]%12=[CH]6[CH]7=[C]8([CH]9=[CH]3[C]2(=[CH]1%12)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([c]1([c]%10(C)[c]%11([c]5(C)[c]41C)C)C)=[O][K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]5CC[O]4CC6.Cc1ccccc1
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	11.1168 ± 0.0004 Å
b	19.7384 ± 0.0006 Å
c	13.01 ± 0.0005 Å
α	90°
β	90.901 ± 0.003°
γ	90°
Cell volume	2854.4 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186650 (current)	2016-09-20	Fixing some Z values and formulae	1543105.cif
185121	2016-08-07	cif/ Updating files of 1543100, 1543101, 1543102, 1543103, 1543104, 1543105 Original log message: Adding full bibliography for 1543100--1543105.cif.	1543105.cif
182057	2016-04-13	cif/ Adding structures of 1543100, 1543101, 1543102, 1543103, 1543104, 1543105 via cif-deposit CGI script.	1543105.cif