Information card for entry 4109101

Structure parameters

• Formula: C36 H58 P4 Si4 Ti
• Calculated formula: C36 H58 P4 Si4 Ti
• SMILES: [Ti]12345([SiH]([H]1)(c1ccccc1)[Si](c1ccccc1)([SiH]2([H]5)c1ccccc1)[SiH2]c1ccccc1)([P](C)(C)CC[P]3(C)C)[P](C)(C)CC[P]4(C)C
• Title of publication: Titanium-Catalyzed Dehydrocoupling of Silanes: Direct Conversion of Primary Monosilanes to Titanium(0) Oligosilane Complexes with Agostic α-Si-H...Ti Interactions
• Authors of publication: Michael D. Spencer; Quinetta D. Shelby; Gregory S. Girolami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1860 - 1861
• a: 11.8357 ± 0.0003 Å
• b: 18.8226 ± 0.0005 Å
• c: 18.9559 ± 0.0006 Å
• α: 90°
• β: 95.102 ± 0.001°
• γ: 90°
• Cell volume: 4206.2 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 0.755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No