Crystallography Open Database

Information card for entry 1565662

Preview

Coordinates	1565662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H68 B Ce O2 Si2
Calculated formula	C34 H68 B Ce O2 Si2
SMILES	[Ce]1234567([O]8CCCC8)([O]8CCCC8)[C]8(=[CH]7[CH]6=[CH]5[CH]4=[C]3([Si](C(C)C)(C(C)C)C(C)C)[CH]2=[CH]18)[Si](C(C)C)(C(C)C)C(C)C.[BH4-]
Title of publication	Introduction of plumbole to f-element chemistry
Authors of publication	Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	4
Pages of publication	945 - 954
a	7.4686 ± 0.0005 Å
b	26.405 ± 0.002 Å
c	19.52 ± 0.0011 Å
α	90°
β	97.925 ± 0.005°
γ	90°
Cell volume	3812.7 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation probe	x-ray
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
272578 (current)	2022-02-04	cif/ Updating files of 1565662, 1565663, 1565664, 1565665, 1565666, 1565667, 1565668, 1565669, 1565670 Original log message: Adding full bibliography for 1565662--1565670.cif.	1565662.cif
271342	2021-12-12	cif/ Adding structures of 1565662, 1565663, 1565664, 1565665, 1565666, 1565667, 1565668, 1565669, 1565670 via cif-deposit CGI script.	1565662.cif