Information card for entry 4074026

Structure parameters

• Common name: Compound 4
• Formula: C77 H136 Al2 N12 Na2
• Calculated formula: C38.44 H81 Al N6 Na
• 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: 9.8013 ± 0.0013 Å
• b: 10.5746 ± 0.0014 Å
• c: 21.951 ± 0.003 Å
• α: 95.412 ± 0.002°
• β: 99.459 ± 0.002°
• γ: 110.421 ± 0.002°
• Cell volume: 2074.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No