Information card for entry 4124239

Structure parameters

• Chemical name: Ti(N2iPrN){N(H)SiHPh2}(NPh2)
• Formula: C35 H47 N5 Si Ti
• Calculated formula: C35 H47 N5 Si Ti
• SMILES: [Ti]12(N[SiH](c3ccccc3)c3ccccc3)(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: 15.9778 ± 0.0001 Å
• b: 10.3207 ± 0.0001 Å
• c: 21.4271 ± 0.0001 Å
• α: 90°
• β: 105.394 ± 0.0006°
• γ: 90°
• Cell volume: 3406.6 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0226
• Weighted residual factors for all reflections included in the refinement: 0.0224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0535
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No