Information card for entry 4335680

Structure parameters

• Common name: LCu(OH)Na
• Formula: C56 H66 Cu2 N12 Na2 O6
• Calculated formula: C56 H66 Cu2 N12 Na2 O6
• Title of publication: Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF
• Authors of publication: Mohammad Reza Halvagar; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8306 - 8308
• a: 27.702 ± 0.004 Å
• b: 27.702 ± 0.004 Å
• c: 14.175 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10878 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No