Information card for entry 4300880

Structure parameters

• Common name: Chisholm1269
• Formula: C45.5 H62.5 Al N3.5 O4
• Calculated formula: C46 H60 Al N3 O4
• Title of publication: Binding of Propylene Oxide to Porphyrin- and Salen‒M(III) Cations, Where M = Al, Ga, Cr, and Co
• Authors of publication: Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2588 - 2595
• a: 12.554 ± 0.001 Å
• b: 12.887 ± 0.001 Å
• c: 14.614 ± 0.001 Å
• α: 80.61 ± 0.003°
• β: 85.652 ± 0.003°
• γ: 67.263 ± 0.004°
• Cell volume: 2151.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No