Information card for entry 7235486

Structure parameters

• Formula: C33 H38 Al N3 O7
• Calculated formula: C33 H38 Al N3 O7
• Title of publication: An octahedral aluminium(iii) complex as a three-fold node for supramolecular heterometallic self-assemblies: solution and solid state chemistry
• Authors of publication: Simond, Damien; Clifford, Sarah E.; Vieira, Andreia F.; Besnard, Céline; Williams, Alan F.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 32
• Pages of publication: 16686
• a: 21.656 ± 0.006 Å
• b: 8.05 ± 0.005 Å
• c: 21.087 ± 0.008 Å
• α: 90°
• β: 117.959 ± 0.008°
• γ: 90°
• Cell volume: 3247 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No