Information card for entry 4124242

Structure parameters

• Chemical name: Cp*Ti(H){MeC(NiPr)2){N(Bpin)N(Me2)}
• Formula: C26 H51 B N4 O2 Ti
• Calculated formula: C26 H51 B N4 O2 Ti
• SMILES: [TiH]123456(N([N]1(C)C)B1OC(C(O1)(C)C)(C)C)([N](=C(N2C(C)C)C)C(C)C)[c]1([c]3([c]6([c]5([c]41C)C)C)C)C
• 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: 15.3311 ± 0.0001 Å
• b: 10.3463 ± 0.0001 Å
• c: 19.7754 ± 0.0002 Å
• α: 90°
• β: 111.019 ± 0.001°
• γ: 90°
• Cell volume: 2928.07 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0514
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No