Information card for entry 4074024

Structure parameters

• Common name: Compound 2
• Formula: C32 H57 Al N4 Na O
• Calculated formula: C32 H57 Al N4 Na O
• SMILES: [Al](n1nc(cc1C(C)(C)C)C(C)(C)C)(n1nc(cc1C(C)(C)C)C(C)(C)C)(C)C.[Na+].O1CCCC1.c1c(C)ccc(C)c1
• Title of publication: Sodium Polypyrazolylaluminates: Synthesis, Characterization, and Isolation of a Reaction Intermediate of a Trispyrazolylaluminate
• Authors of publication: Cortes-Llamas, Sara A.; Muñoz-Hernández, Miguel-Ángel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6844
• a: 10.2984 ± 0.001 Å
• b: 13.0764 ± 0.0013 Å
• c: 15.4157 ± 0.0016 Å
• α: 102.456 ± 0.002°
• β: 107.236 ± 0.002°
• γ: 109.556 ± 0.002°
• Cell volume: 1750.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No