Information card for entry 7006176

Structure parameters

• Formula: C32 H72 Al4 La2 P2
• Calculated formula: C32 H72 Al4 La2 P2
• SMILES: [CH3]1[Al]([CH3][La]2345671([CH3][Al]([CH3]3)(C)C)[P]1([C]2(=[C]4([C]5(=[C]17C)C)C)C)[La]123457([CH3][Al]([CH3]1)(C)C)([CH3][Al]([CH3]2)(C)C)[P]16[C]3(=[C]4([C]5(=[C]17C)C)C)C)(C)C
• Title of publication: Mono-phosphacyclopentadienyl bis(tetramethylaluminate) lanthanide complexes.
• Authors of publication: Le Roux, Erwan; Nief, François; Jaroschik, Florian; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4866 - 4870
• a: 9.7193 ± 0.0002 Å
• b: 9.9429 ± 0.0003 Å
• c: 13.2018 ± 0.0003 Å
• α: 90.35 ± 0.01°
• β: 108.52 ± 0.01°
• γ: 115.36 ± 0.01°
• Cell volume: 1078 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0134
• Residual factor for significantly intense reflections: 0.0127
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No