Information card for entry 4124243

Structure parameters

• Chemical name: Cp*Ti{MeC(NiPr)2){(NBC8H14)}
• Formula: C26 H46 B N3 Ti
• Calculated formula: C26 H46 B N3 Ti
• SMILES: [Ti]12345(=NB6C7CCCC6CCC7)([N](=C(N1C(C)C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 8.667 ± 0.0002 Å
• b: 15.0475 ± 0.0003 Å
• c: 10.996 ± 0.0003 Å
• α: 90°
• β: 100.199 ± 0.002°
• γ: 90°
• Cell volume: 1411.4 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9361
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No