Crystallography Open Database

Information card for entry 1560032

Preview

Coordinates	1560032.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Chemical name	5
Formula	C26 H50 O Si4 U
Calculated formula	C26 H50 O Si4 U
SMILES	[U]123456789%10([OH]CC)([C]%11([Si](C)(C)C)=[CH]1([Si](C)(C)C)[C]2([Si](C)(C)C)=[C]%11%10[Si](C)(C)C)[CH]1=[CH]3[CH]7=[CH]9[CH]8=[CH]5[CH]6=[CH]41
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	17.5935 ± 0.0003 Å
b	9.977 ± 0.0002 Å
c	18.6747 ± 0.0004 Å
α	90°
β	110.001 ± 0.002°
γ	90°
Cell volume	3080.27 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	1560032.cif
260899	2021-01-12	cif/ Adding structures of 1560031, 1560032, 1560033, 1560034, 1560035, 1560036 via cif-deposit CGI script.	1560032.cif