Information card for entry 4318292

Structure parameters

• Formula: C12 H10 Be O6
• Calculated formula: C12 H10 Be O6
• SMILES: [Be]12(Oc3ccoc3C(=[O]1)C)[O]=C(c1occc1O2)C
• Title of publication: Different Complexation Properties of Some Hydroxy Keto Heterocycles toward Beryllium(II) in Aqueous Solutions: Experimental and Theoretical Studies
• Authors of publication: Franco Cecconi; Carlo A. Ghilardi; Andrea Ienco; Palma Mariani; Carlo Mealli; Stefano Midollini; Annabella Orlandini; Alberto Vacca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4006 - 4017
• a: 8.146 ± 0.005 Å
• b: 13.175 ± 0.009 Å
• c: 22.995 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2468 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No