Information card for entry 2201428

Structure parameters

• Chemical name: Aqua[(±)-lactate-O,O'](1,10-phenanthroline-κ^2^N,N')copper(II) nitrate
• Formula: C15 H15 Cu N3 O7
• Calculated formula: C15 H15 Cu N3 O7
• SMILES: c1[n]2c3c(cc1)ccc1ccc[n]([Cu]42(OC(=O)C(C)[OH]4)[OH2])c31.N(=O)(=O)[O-]
• Title of publication: Aqua[(±)-lactate-<i>O,O</i>'](1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II) nitrate
• Authors of publication: Medina, Gerardo; Gasque, Laura; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m765 - m767
• a: 8.5646 ± 0.0013 Å
• b: 19.985 ± 0.003 Å
• c: 9.7854 ± 0.0013 Å
• α: 90°
• β: 104.96 ± 0.011°
• γ: 90°
• Cell volume: 1618.1 ± 0.4 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes