Information card for entry 4124241

Structure parameters

• Chemical name: Ti(N2iPrNMe)((u-H)2BC8H14)(NPh2)
• Formula: C31 H51 B N4 Ti
• Calculated formula: C31 H51 B N4 Ti
• SMILES: [Ti]123(N(c4ccccc4)c4ccccc4)([N](CCN1C(C)C)(CCN2C(C)C)C)[H][B]1(C2CCCC1CCC2)[H]3
• Title of publication: Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.
• Authors of publication: Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10140 - 10143
• a: 10.3975 ± 0.0001 Å
• b: 17.0393 ± 0.0002 Å
• c: 17.1711 ± 0.0002 Å
• α: 90°
• β: 99.4352 ± 0.0011°
• γ: 90°
• Cell volume: 3000.98 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0384
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0105
• Weighted residual factors for significantly intense reflections: 0.0103
• Weighted residual factors for all reflections included in the refinement: 0.0103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0936
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No