Crystallography Open Database

Information card for entry 4321425

Preview

Coordinates	4321425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 S8 Ti
Calculated formula	C28 H34 S8 Ti
Title of publication	Preparation and Properties of Cyclopentadienyl- and Pentamethylcyclopentadienyl-Titanium(IV) Complexes with the C8H4S8 Ligand, Electrical Conductivities of Their Oxidized Species, and X-ray Crystal Structure of Ti(C5Me5)2(C8H4S8)
Authors of publication	Koyu Saito; Motohiro Nakano; Hatsue Tamura; Gen-etsu Matsubayashi
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4815 - 4820
a	9.534 ± 0.002 Å
b	18.227 ± 0.002 Å
c	17.775 ± 0.002 Å
α	90°
β	94.39 ± 0.01°
γ	90°
Cell volume	3079.8 ± 0.8 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 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 significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for all reflections included in the refinement	1.35
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321425.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321425.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321425.cif
18796	2011-05-04	../uploads/cif-deposit/cod/cif Adding structures of 4321425 via cif-deposit CGI script.	4321425.cif