Information card for entry 4070320

Structure parameters

• Formula: C76 H116 Al2 La2
• Calculated formula: C76 H116 Al2 La2
• SMILES: [CH3]1[La]23456789([c]%10([c]2([c]3([c]4([c]5%10C)C)C)C)C)([c]2([c]9([c]6([c]7([c]82C)C)C)C)C)[CH3][Al]([CH3][La]23456789([CH3][Al]1(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes
• Authors of publication: Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6739
• a: 11.2689 ± 0.0001 Å
• b: 12.863 ± 0.0001 Å
• c: 15.3727 ± 0.0002 Å
• α: 107.163 ± 0.0004°
• β: 100.728 ± 0.0004°
• γ: 111.145 ± 0.0004°
• Cell volume: 1875.63 ± 0.03 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No