Information card for entry 4124240

Structure parameters

• Chemical name: Ti(N2iPrN){N(H)BC8H14}(NPh2)
• Formula: C31 H50 B N5 Ti
• Calculated formula: C31 H50 B N5 Ti
• SMILES: [Ti]12(NB3C4CCCC3CCC4)(N(c3ccccc3)c3ccccc3)[N](C)(CCN1C(C)C)CCN2C(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: 10.2115 ± 0.0001 Å
• b: 15.0835 ± 0.0002 Å
• c: 20.0607 ± 0.0003 Å
• α: 90°
• β: 96.9475 ± 0.0005°
• γ: 90°
• Cell volume: 3067.16 ± 0.07 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: 0.0691
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0624
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No