Information card for entry 4314101

Structure parameters

• Formula: C22 H45 P3 S3 Ti
• Calculated formula: C22 H45 P3 S3 Ti
• SMILES: [Ti]12345(SCC[P]1(C)C)(SCCP(C)C)(SCCP(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• 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: 13.359 ± 0.003 Å
• b: 14.035 ± 0.003 Å
• c: 8.586 ± 0.003 Å
• α: 106.74 ± 0.02°
• β: 106.56 ± 0.02°
• γ: 89.84 ± 0.02°
• Cell volume: 1472.1 ± 0.7 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 2.473
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No