Information card for entry 4328108

Structure parameters

• Formula: C37 H33 Al N5 O16.5
• Calculated formula: C37 H31.5 Al N5 O16.5
• Title of publication: Tuning of the Emission Efficiency and HOMO-LUMO Band Gap for Ester-Functionalized {Al(salophen)(H2O)2}+ Blue Luminophors
• Authors of publication: Virginie Béreau; Carine Duhayon; Alix Sournia-Saquet; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1309 - 1318
• a: 11.7907 ± 0.0003 Å
• b: 12.5569 ± 0.0003 Å
• c: 14.0286 ± 0.0004 Å
• α: 87.45 ± 0.002°
• β: 84.788 ± 0.002°
• γ: 62.541 ± 0.003°
• Cell volume: 1835.38 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0555
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No