Information card for entry 7036529

Structure parameters

• Formula: C23 H50 Al2 N Nd Si
• Calculated formula: C23 H50 Al2 N Nd Si
• SMILES: [CH3]1[Al](C)(C)[CH3][Nd]21([CH3][Al]([CH3]2)(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.
• Authors of publication: Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18101 - 18110
• a: 12.2588 ± 0.0005 Å
• b: 17.4136 ± 0.0007 Å
• c: 28.1778 ± 0.0013 Å
• α: 90°
• β: 91.984 ± 0.004°
• γ: 90°
• Cell volume: 6011.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No