Information card for entry 7021895

Structure parameters

• Formula: C28 H50 Al Ti
• Calculated formula: C28 H50 Al Ti
• SMILES: [c]12([c]3([Ti]456789%101([H][Al]([H]4)(CC(C)C)CC(C)C)([c]1([c]5([c]6([c]8([c]%101C)C)C)C)C)[c]3([c]7([c]29C)C)C)C)C
• Title of publication: Group 4 metallocene catalysed full dehydrogenation of hydrazine borane.
• Authors of publication: Thomas, Johannes; Klahn, Marcus; Spannenberg, Anke; Beweries, Torsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14668 - 14672
• a: 15.0433 ± 0.0004 Å
• b: 12.0424 ± 0.0003 Å
• c: 16.5253 ± 0.0004 Å
• α: 90°
• β: 110.917 ± 0.001°
• γ: 90°
• Cell volume: 2796.39 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No