Information card for entry 7101302

Structure parameters

• Common name: COMPLEX 3*4-tert-butylpyridine
• Formula: C60.5 H46.5 Al Cl1.5 N5 O2
• Calculated formula: C60.5 H46.5 Al Cl1.5 N5 O2
• Title of publication: Aluminium(III) porphyrins as supramolecular building blocks
• Authors of publication: J.K.M.Sanders; G.J.E.Davidson; L.H.Tong
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 29
• a: 11.878 ± 0.0001 Å
• b: 10.4528 ± 0.0001 Å
• c: 42.0274 ± 0.0004 Å
• α: 90°
• β: 94.962 ± 0.001°
• γ: 90°
• Cell volume: 5198.5 ± 0.1 ų
• Cell temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.3935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.859
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No