Crystallography Open Database

Information card for entry 1560036

Preview

Coordinates	1560036.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Chemical name	C28H52OSi4U
Formula	C28 H52 O Si4 U
Calculated formula	C28 H52 O Si4 U
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	11.40224 ± 0.00011 Å
b	16.98119 ± 0.00018 Å
c	17.03377 ± 0.00015 Å
α	90°
β	90°
γ	90°
Cell volume	3298.14 ± 0.06 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1560036.cif
260899	2021-01-12	cif/ Adding structures of 1560031, 1560032, 1560033, 1560034, 1560035, 1560036 via cif-deposit CGI script.	1560036.cif