Crystallography Open Database

Information card for entry 4338670

Preview

Coordinates	4338670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H108 Ce2 N12 Si12
Calculated formula	C36 H108 Ce2 N12 Si12
SMILES	C[Si](C)(N([Ce]([N]#N=N[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=N#N)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C
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	18.515 ± 0.001 Å
b	18.515 ± 0.001 Å
c	16.7999 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	4987.5 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0126
Residual factor for significantly intense reflections	0.0116
Weighted residual factors for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.0398
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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.	4338670.cif
119108	2014-07-05	cif/ Updating files of 4338669, 4338670, 4338671 Original log message: Adding full bibliography for 4338669--4338671.cif.	4338670.cif
114916	2014-05-30	cif/ Adding structures of 4338669, 4338670, 4338671 via cif-deposit CGI script.	4338670.cif