Information card for entry 2008783

Structure parameters

• Chemical name: [Aquo(1,10-phenanthroline)(L-prolinato)copper(II)] nitrate hydrate
• Formula: C34 H40 Cu2 N8 O14
• Calculated formula: C34 H40 Cu2 N8 O14
• SMILES: [Cu]12([OH2])([n]3c4c5[n]1cccc5ccc4ccc3)[NH]1CCC[C@H]1C(=O)O2.O.N(=O)(=O)[O-]
• Title of publication: Aqua(1,10-phenanthroline)(<small>L</small>-prolinato)copper(II) nitrate monohydrate
• Authors of publication: Venkatraman, Ramaiyer; Zubkowski, Jeffrey D.; Valente, Edward J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1241 - 1243
• a: 7.1732 ± 0.0017 Å
• b: 21.285 ± 0.006 Å
• c: 12.28 ± 0.003 Å
• α: 90°
• β: 92.05 ± 0.02°
• γ: 90°
• Cell volume: 1873.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No