Information card for entry 7102860

Structure parameters

• Formula: C39 H83 Al5 B N6 Y
• Calculated formula: C39 H83 Al5 B N6 Y
• SMILES: [Y]23([Al](C[Al]3(C)(C)C)(C[Al]2(C)(C)C)(C)C)[Al](C)(C)(C)C.[BH]12[n]3[n]([Al]([n]4[n]1c(cc4C(C)(C)C)C)([n]1[n]2c(cc1C(C)(C)C)C)C)c(C(C)(C)C)cc3C
• Title of publication: Ln(III) methyl and methylidene complexes stabilized by a bulky hydrotris(pyrazolyl)borate ligand.
• Authors of publication: Zimmermann, Melanie; Takats, Josef; Kiel, Gong; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 612 - 614
• a: 29.6427 ± 0.0017 Å
• b: 9.5879 ± 0.0006 Å
• c: 18.0884 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5140.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No