Information card for entry 4080141

Structure parameters

• Formula: C44 H72 Al2 La2 N4
• Calculated formula: C44 H72 Al2 La2 N4
• SMILES: [cH]12[cH]3[cH]4[c]56[n]71[La]189%10%11([CH3][Al]([CH3]1)(C)C)([cH]1[cH]9[cH]%10[c]9%11[C@H](C)N(c%10c(cccc%10C(C)C)C(C)C)[La]%1023457([n]819)[CH3][Al]([CH3]%10)(C)C)N([C@@H]6C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer
• Authors of publication: Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1199
• a: 11.0471 ± 0.0005 Å
• b: 18.7061 ± 0.0009 Å
• c: 13.7101 ± 0.0006 Å
• α: 90°
• β: 109.152 ± 0.001°
• γ: 90°
• Cell volume: 2676.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No