Information card for entry 4331785

Structure parameters

• Formula: C16 H34 B3 P2 Ti
• Calculated formula: C16 H34 B3 P2 Ti
• Title of publication: Titanium(II) and Titanium(III) Tetrahydroborates. Crystal Structures of [Li(Et2O)2][Ti2(BH4)5(PMe2Ph)4], Ti(BH4)3(PMe2Ph)2, and Ti(BH4)3(PEt3)2
• Authors of publication: Goedde, Dean M.; Girolami, Gregory S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1380 - 1388
• a: 14.4241 ± 0.0016 Å
• b: 12.714 ± 0.002 Å
• c: 13.38 ± 0.002 Å
• α: 90°
• β: 116.38 ± 0.012°
• γ: 90°
• Cell volume: 2198.2 ± 0.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No