Information card for entry 4331496

Structure parameters

• Formula: C26 H18 Be N4 O2
• Calculated formula: C26 H18 Be N4 O2
• SMILES: [n]12c3c(cccc3)[nH]c2c2c(cccc2)O[Be]12Oc1ccccc1c1[n]2c2c(cccc2)[nH]1
• 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: 9.6525 ± 0.0003 Å
• b: 9.6525 ± 0.0003 Å
• c: 22.4773 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2094.23 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No