Crystallography Open Database

Information card for entry 7013950

Preview

Coordinates	7013950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 S2 Si2 Ti
Calculated formula	C16 H28 S2 Si2 Ti
SMILES	[Ti]12345678(S[Si](C)(C)C)(S[Si](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.
Authors of publication	Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	10
Pages of publication	1618 - 1625
a	16.1375 ± 0.0008 Å
b	13.8649 ± 0.0005 Å
c	18.7887 ± 0.0004 Å
α	90°
β	105.195 ± 0.0006°
γ	90°
Cell volume	4056.9 ± 0.3 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7013950.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013950.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013950.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013950.cif