Information card for entry 2011089

Structure parameters

• Chemical name: Aqua(5,6-dimethyl-1,10-phenanthroline)(glycolato)copper(II) nitrate
• Formula: C16 H17 Cu N3 O7
• Calculated formula: C16 H17 Cu N3 O7
• SMILES: [Cu]15([OH2])([n]2cccc3c(c(c4ccc[n]1c4c23)C)C)OC(=O)C[OH]5.N(=O)(=O)[O-]
• Title of publication: Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(glycolato-<i>O</i>,<i>O</i>')copper(II) nitrate
• Authors of publication: Medina, Gerardo; Gasque, Laura; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 766 - 768
• a: 7.0373 ± 0.0007 Å
• b: 10.0928 ± 0.0011 Å
• c: 13.1649 ± 0.0013 Å
• α: 103.225 ± 0.008°
• β: 105.45 ± 0.012°
• γ: 103.76 ± 0.009°
• Cell volume: 831.68 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes