Information card for entry 4314100

Structure parameters

• Formula: C18 H30 Cu F6 P3 S2 Ti
• Calculated formula: C18 H30 Cu F6 P3 S2 Ti
• SMILES: [Cu]123[S](CC[P]2(C)C)[Ti]456789%10%11([S]1CC[P]3(C)C)([cH]1[cH]8[cH]7[cH]6[cH]51)[cH]1[cH]9[cH]%10[cH]%11[cH]14.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses and Characterization of Titanium(IV) and Titanium(III) Complexes with (2-Dimethylphosphino)ethane-1-thiolate and (3-Dimethylphosphino)propane-1-thiolate as Ligands
• Authors of publication: Kazutaka Matsuzaki; Hiroyuki Kawaguchi; Peter Voth; Kyoko Noda; Sumitaka Itoh; Hideo D. Takagi; Kazuo Kashiwabara; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5320 - 5329
• a: 25.796 ± 0.002 Å
• b: 9.973 ± 0.002 Å
• c: 9.943 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2558 ± 0.8 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No