Information card for entry 4331779

Structure parameters

• Formula: C40 H84 B5 Li O2 P4 Ti2
• Calculated formula: C40 H84 B5 Li O2 P4 Ti2
• 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: 12.447 ± 0.0005 Å
• b: 18.171 ± 0.0008 Å
• c: 24.0671 ± 0.001 Å
• α: 90°
• β: 98.038 ± 0.001°
• γ: 90°
• Cell volume: 5389.9 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2839
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No