Information card for entry 2018065

Structure parameters

• Chemical name: μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate
• Formula: C26 H24 Cu2 N6 O11
• Calculated formula: C26 H24 Cu2 N6 O11
• SMILES: [Cu]123([OH][Cu]4([n]5cccc6ccc7ccc[n]4c7c56)([O]=C(O2)C)[OH2]3)[n]2cccc3ccc4ccc[n]1c4c23.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate
• Authors of publication: Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m130 - m133
• a: 8.15051 ± 0.00015 Å
• b: 17.4091 ± 0.0003 Å
• c: 19.7447 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2801.64 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes