Crystallography Open Database

Information card for entry 1560035

Preview

Coordinates	1560035.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3
Chemical name	C24H44Si4U
Formula	C24 H44 Si4 U
Calculated formula	C24 H44 Si4 U
SMILES	[U]123456789%10([CH]%11=[CH]2[CH]6=[CH]8[CH]9=[CH]%10[CH]7=[CH]5%11)[C]2(=[C]4([Si](C)(C)C)[C]3([Si](C)(C)C)=[C]12[Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Authors of publication	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	8
Pages of publication	2948 - 2954
a	31.8409 ± 0.0002 Å
b	31.8409 ± 0.0002 Å
c	11.0234 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	11176 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263685 (current)	2021-04-05	cif/ Updating files of 1560031, 1560032, 1560033, 1560034, 1560035, 1560036 Original log message: Adding full bibliography for 1560031--1560036.cif.	1560035.cif
260899	2021-01-12	cif/ Adding structures of 1560031, 1560032, 1560033, 1560034, 1560035, 1560036 via cif-deposit CGI script.	1560035.cif