Crystallography Open Database

Information card for entry 4328379

Preview

Coordinates	4328379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H24 B12 S3
Calculated formula	C5 H24 B12 S3
Title of publication	Unusual Cationic Tris(Dimethylsulfide)-Substitutedcloso-Boranes: Preparation and Characterization of [1,7,9-(Me2S)3-B12H9] BF4 and [1,2,10-(Me2S)3-B10H7] BF4
Authors of publication	Ewan J. M. Hamilton; Hoitung T. Leung; Roman G. Kultyshev; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2374 - 2380
a	13.8692 ± 0.0001 Å
b	14.5972 ± 0.0001 Å
c	18.2653 ± 0.0001 Å
α	90°
β	110.845 ± 0.0004°
γ	90°
Cell volume	3455.81 ± 0.04 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
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	0.0839
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179386 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/83.	4328379.cif
77345	2013-03-26	cif/ Adding structures of 4328379 via cif-deposit CGI script.	4328379.cif