Information card for entry 7033390

Structure parameters

• Common name: Al-complex
• Chemical name: Al-complex AlPh2pz
• Formula: C97 H74 Al2 N12 Na2
• Calculated formula: C97 H74 Al2 N12 Na2
• SMILES: c1(cc([n]2n1[Al]13n4[n]([Na]([n]5c(cc(n15)c1ccccc1)c1ccccc1)[n]1c(cc(n1[Al]3(n1c(cc(c3ccccc3)[n]1[Na]12)c2ccccc2)n2c(c3ccccc3)cc(c3ccccc3)[n]21)c1ccccc1)c1ccccc1)c(c1ccccc1)cc4c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1C
• Title of publication: Synthesis, structure, and properties of a dialumane supported by pyrazolate ligands.
• Authors of publication: Snyder, Christopher J.; Zavalij, Peter; Bowen, Kit; Schnöckel, Hansgeorg; Eichhorn, Bryan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 2956 - 2958
• a: 10.8421 ± 0.0007 Å
• b: 12.1075 ± 0.0007 Å
• c: 15.5072 ± 0.001 Å
• α: 79.8104 ± 0.001°
• β: 85.2777 ± 0.001°
• γ: 80.2888 ± 0.0009°
• Cell volume: 1971.9 ± 0.2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No