Information card for entry 7111729

Structure parameters

• Formula: C47.75 H37 Al N6 O6
• Calculated formula: C47.75 H36.75 Al N6 O6
• Title of publication: Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks
• Authors of publication: Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5067 - 5069
• a: 11.978 ± 0.0001 Å
• b: 12.585 ± 0.0001 Å
• c: 14.339 ± 0.0002 Å
• α: 87.816 ± 0.001°
• β: 84.052 ± 0.001°
• γ: 79.823 ± 0.001°
• Cell volume: 2115.61 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No