Information card for entry 7054701

Structure parameters

• Formula: C18 H18 Be N2 O2
• Calculated formula: C18 H18 Be N2 O2
• SMILES: [Be]123Oc4ccccc4C=[N]2CCCC[N]3=Cc2ccccc2O1
• Title of publication: Tetradentate Schiff base beryllium complexes
• Authors of publication: Reglinski, John; Kennedy, Alan R.; Steel, Graham
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 2437
• a: 7.6771 ± 0.001 Å
• b: 17.9229 ± 0.001 Å
• c: 11.3182 ± 0.0012 Å
• α: 90°
• β: 98.385 ± 0.014°
• γ: 90°
• Cell volume: 1540.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No