Information card for entry 4331497

Structure parameters

• Formula: C26 H16 Be N2 O4
• Calculated formula: C26 H16 Be N2 O4
• SMILES: O1c2ccccc2c2oc3ccccc3[n]2[Be]21Oc1ccccc1c1oc3ccccc3[n]21
• Title of publication: Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands
• Authors of publication: Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4270 - 4275
• a: 10.2825 ± 0.0008 Å
• b: 16.7547 ± 0.0014 Å
• c: 24.935 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4295.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No