Information card for entry 2003489

Structure parameters

• Chemical name: [(Aqua)(glicinato)(3,4,7,8-tetramethyl-1,10-phenanthroline) copper(II)] nitrate.
• Formula: C18 H22 Cu N4 O6
• Calculated formula: C18 H22 Cu N4 O6
• SMILES: [Cu]12([n]3cc(c(c4ccc5c(c(c[n]1c5c34)C)C)C)C)([NH2]CC(=O)O2)[OH2].N(=O)(=O)[O-]
• Title of publication: Aqua(glycinato)(3,4,7,8-tetramethyl-1,10-phenanthroline)copper(II) Nitrate
• Authors of publication: Alvarez-Larena, A.; Briansó-Penalva, J. L.; Piniella, J. F.; Moreno-Esparza, R.; Ruiz-Ramírez, L.; Ferrer-Sueta, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 852 - 854
• a: 17.842 ± 0.003 Å
• b: 5.489 ± 0.001 Å
• c: 20.045 ± 0.002 Å
• α: 90°
• β: 105.18 ± 0.01°
• γ: 90°
• Cell volume: 1894.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.253
• Goodness-of-fit parameter for significantly intense reflections: 1.245
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No