Information card for entry 2003825

Structure parameters

• Chemical name: [(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate.
• Formula: C15 H16 Cu N4 O7
• Calculated formula: C15 H16 Cu N4 O7
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([NH2][C@H](C(=O)O2)CO)[OH2].N(=O)(=O)[O-]
• Title of publication: Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate
• Authors of publication: Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1505 - 1508
• a: 7.624 ± 0.002 Å
• b: 10.027 ± 0.002 Å
• c: 12.001 ± 0.003 Å
• α: 97.46 ± 0.01°
• β: 106.79 ± 0.01°
• γ: 108.76 ± 0.01°
• Cell volume: 806.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.1018
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No