Crystallography Open Database

Information card for entry 4338671

Preview

Coordinates	4338671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H54 Ce N4 S Si6
Calculated formula	C19 H54 Ce N4 S Si6
SMILES	[Ce](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)N=C=S
Title of publication	Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds.
Authors of publication	Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	12
Pages of publication	6338 - 6345
a	17.6275 ± 0.0011 Å
b	12.3266 ± 0.0008 Å
c	16.4282 ± 0.001 Å
α	90°
β	96.261 ± 0.003°
γ	90°
Cell volume	3548.3 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0215
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
179489 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/86.	4338671.cif
119108	2014-07-05	cif/ Updating files of 4338669, 4338670, 4338671 Original log message: Adding full bibliography for 4338669--4338671.cif.	4338671.cif
114916	2014-05-30	cif/ Adding structures of 4338669, 4338670, 4338671 via cif-deposit CGI script.	4338671.cif