Information card for entry 4085800

Structure parameters

• Common name: [Me,HAlMes*]
• Formula: C38 H66 Al2
• Calculated formula: C38 H66 Al2
• SMILES: c1(c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[Al]1([H][Al](c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)([H]1)C)C
• Title of publication: Reactivity of Yttrium Methyl Complexes: Hydrido Transfer Capability of Selected Alkylalanes
• Authors of publication: Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2667
• a: 13.6404 ± 0.0006 Å
• b: 16.3355 ± 0.0005 Å
• c: 8.7648 ± 0.0004 Å
• α: 90°
• β: 99.154 ± 0.003°
• γ: 90°
• Cell volume: 1928.12 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No