Crystallography Open Database

Information card for entry 7115054

Preview

Coordinates	7115054.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CeCl{N(SiMe3)2}3]
Formula	C18 H54 Ce Cl N3 Si6
Calculated formula	C18 H54 Ce Cl N3 Si6
SMILES	[Ce](Cl)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Cerium masquerading as a Group 4 element: synthesis, structure and computational characterisation of [CeCl{N(SiMe3)2}3]
Authors of publication	Eisenstein, Odile; Hitchcock, Peter B.; Hulkes, Alexander G.; Lappert, Michael F.; Maron, Laurent
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1560
a	18.4508 ± 0.0007 Å
b	18.4508 ± 0.0007 Å
c	16.8934 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4980.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115054.cif
118507	2014-06-30	cif/ Adding structures of 7115054 via cif-deposit CGI script.	7115054.cif