Information card for entry 4089017

Structure parameters

• Formula: C64 H116 Al2 Li2 O2
• Calculated formula: C64 H116 Al2 Li2 O2
• SMILES: [Al]12(c3c4C(CC(c4cc4C(CC(c34)(CC)CC)(CC)CC)(CC)CC)(CC)CC)[H][Li]3([H][Al](c4c5C(CC(c5cc5C(CC(c45)(CC)CC)(CC)CC)(CC)CC)(CC)CC)([H][Li]([O](CC)CC)([H]2)[H]1)[H]3)[O](CC)CC
• Title of publication: Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups
• Authors of publication: Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3397
• a: 20.016 ± 0.002 Å
• b: 16.312 ± 0.0017 Å
• c: 20.747 ± 0.002 Å
• α: 90°
• β: 105.012 ± 0.0015°
• γ: 90°
• Cell volume: 6542.7 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0678
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No