Information card for entry 4323994

Structure parameters

• Chemical name: (tetraphenylphosphonium) tetrachloro-tri-μ-chloro- bis(dimethylphenylphosphine)-dititanium
• Formula: C41 H44 Cl9 P3 Ti2
• Calculated formula: C41 H44 Cl9 P3 Ti2
• Title of publication: Preparation, Molecular and Electronic Structures, and Magnetic Properties of Face-Sharing Bioctahedral Titanium(III) Compounds: [PPh4][Ti2(μ-Cl)3Cl4(PR3)2]
• Authors of publication: Linfeng Chen; F. Albert Cotton; Kim R. Dunbar; Xuejun Feng; Robert A. Heintz; Calvin Uzelmeir
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 7358 - 7363
• a: 11.635 ± 0.004 Å
• b: 19.544 ± 0.003 Å
• c: 11.48 ± 0.003 Å
• α: 100.69 ± 0.02°
• β: 109.7 ± 0.01°
• γ: 95.08 ± 0.02°
• Cell volume: 2382.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1363
• Weighted residual factors for significantly intense reflections: 0.1202
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No