Information card for entry 7054700

Structure parameters

• Formula: C32 H32 Be2 N4 O6
• Calculated formula: C32 H32 Be2 N4 O6
• SMILES: [Be]123Oc4ccccc4C=[N]2CC[N]2=Cc4ccccc4O[Be]42Oc2ccccc2C=[N]4CC[N]3=Cc2ccccc2O1.O.O
• 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: 8.5367 ± 0.0006 Å
• b: 8.8067 ± 0.0006 Å
• c: 10.1596 ± 0.0007 Å
• α: 106.505 ± 0.006°
• β: 92.538 ± 0.006°
• γ: 97.889 ± 0.006°
• Cell volume: 722.6 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No