Information card for entry 4001225

Structure parameters

• Chemical name: Bis(eta5-cyclopentadienyl)bis(methylselenolato)titanium(IV)
• Formula: C12 H16 Se2 Ti
• Calculated formula: C12 H16 Se2 Ti
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ti]16782345([cH]2[cH]1[cH]7[cH]8[cH]62)([Se]C)[Se]C
• Title of publication: Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)
• Authors of publication: Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 5100
• a: 9.3965 ± 0.0015 Å
• b: 9.3965 ± 0.0015 Å
• c: 14.412 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1272.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No