Crystallography Open Database

Information card for entry 4088448

Preview

Coordinates	4088448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 U
Calculated formula	C28 H42 U
SMILES	[c]1([c]2([c]3([c]4([c]51C)C)C)C)(C)[U]234516789(C(=C(C(=C1C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	Tuning the Oxidation State, Nuclearity, and Chemistry of Uranium Hydrides with Phenylsilane and Temperature: The Case of the Classic Uranium(III) Hydride Complex [(C5Me5)2U(μ-H)]2
Authors of publication	Pagano, Justin K.; Dorhout, Jacquelyn M.; Czerwinski, Kenneth R.; Morris, David E.; Scott, Brian L.; Waterman, Rory; Kiplinger, Jaqueline L.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	617
a	12.0243 ± 0.0017 Å
b	14.635 ± 0.002 Å
c	13.996 ± 0.002 Å
α	90°
β	94.1546 ± 0.0016°
γ	90°
Cell volume	2456.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.199
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
237582 (current)	2019-11-24	cif/ Adding structures of 4088448 via cif-deposit CGI script.	4088448.cif