Information card for entry 7024534

Structure parameters

• Formula: C40 H46 Al N5 O14
• Calculated formula: C40 H46 Al N5 O14
• SMILES: O=N(=O)[O-].O.O.[Al]123(Oc4c(C=[N]2c2ccccc2[N]3=Cc2c(O1)ccc(c2)C(=O)OC(C)(C)C)cc(cc4)C(=O)OC(C)(C)C)([O]=n1ccccc1)[O]=n1ccccc1.O
• Title of publication: Modulation of the luminescence quantum efficiency for blue luminophor {Al(salophen)}(+) by ester-substituents.
• Authors of publication: Béreau, Virginie; Jubéra, Véronique; Arnaud, Philippe; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 2070 - 2077
• a: 12.256 ± 0.003 Å
• b: 12.79 ± 0.003 Å
• c: 14.959 ± 0.004 Å
• α: 68.74 ± 0.01°
• β: 70.91 ± 0.01°
• γ: 81.62 ± 0.01°
• Cell volume: 2064.1 ± 0.9 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: 0.1531
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No