Crystallography Open Database

Information card for entry 4030851

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Coordinates	4030851.cif

Structure parameters

Formula	C18 H28 S2 Zr
Calculated formula	C18 S2 Zr
SMILES	S([Zr]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)(SC(C)(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51)C(C)(C)C
Title of publication	Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV): synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical vapour deposition of titanium sulfides
Authors of publication	Senocq, F.; Viguier, N.; Gleizes, A.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1996
Journal volume	33
Pages of publication	1185 - 1197
a	16.604 ± 0.008 Å
b	9.384 ± 0.002 Å
c	12.884 ± 0.006 Å
α	90°
β	107.86 ± 0.02°
γ	90°
Cell volume	1910.7 ± 1.4 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.036
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
178487 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/08.	4030851.cif
134324	2015-03-24	cif/ Adding structures of 4030851 via cif-deposit CGI script.	4030851.cif