Information card for entry 2239362

Structure parameters

• Chemical name: Aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dinitrate
• Formula: C24 H18 Cu N6 O7
• Calculated formula: C24 H18 Cu N6 O7
• SMILES: [Cu]12([OH2])([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: A new polymorph of aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dinitrate
• Authors of publication: Boutebdja, Mehdi; Lehleh, Asma; Beghidja, Adel; Setifi, Zouaoui; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m185 - m186
• a: 7.0836 ± 0.0003 Å
• b: 11.7898 ± 0.0003 Å
• c: 14.2951 ± 0.0004 Å
• α: 78.079 ± 0.002°
• β: 79.862 ± 0.003°
• γ: 73.782 ± 0.003°
• Cell volume: 1112.68 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.066
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes