Information card for entry 7235487

Structure parameters

• Formula: C35 H38 Al Co N5 O7 S2
• Calculated formula: C35 H38 Al Co N5 O7 S2
• 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: 11.5825 ± 0.0009 Å
• b: 11.617 ± 0.0007 Å
• c: 16.3471 ± 0.0013 Å
• α: 76.488 ± 0.007°
• β: 75.077 ± 0.007°
• γ: 81.263 ± 0.006°
• Cell volume: 2056.7 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No