Information card for entry 4321425

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 ų
• 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 Fobs: No