Information card for entry 7036533

Structure parameters

• Formula: C34 H64 Al N2 Nd Si2
• Calculated formula: C34 H64 Al N2 Nd Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Nd]1([CH3][Al]([CH3]1)(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: 17.9545 ± 0.0006 Å
• b: 17.8184 ± 0.0006 Å
• c: 12.2373 ± 0.0004 Å
• α: 90°
• β: 103.82°
• γ: 90°
• Cell volume: 3801.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No