Information card for entry 2232815

Structure parameters

• Chemical name: Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(valinato- κ^2^<i>N</i>,<i>O</i>)copper(II) nitrate dihydrate
• Formula: C17 H24 Cu N4 O8
• Calculated formula: C17 H24 Cu N4 O8
• SMILES: c1ccc2c3[n]1[Cu]1([n]4cccc(cc2)c34)([OH2])[NH2]C(C(=O)O1)C(C)C.N(=O)(=O)[O-].O.O
• Title of publication: Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(valinato-κ^2^<i>N</i>,<i>O</i>)copper(II) nitrate dihydrate
• Authors of publication: Tovar-Tovar, Araceli; García-Ramos, Juan-Carlos; Flores-Alamo, Marcos; Ruiz-Azuara, Lena
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1796 - m1797
• a: 7.902 ± 0.0019 Å
• b: 9.61 ± 0.003 Å
• c: 14.327 ± 0.004 Å
• α: 81.89 ± 0.03°
• β: 75.04 ± 0.02°
• γ: 87.92 ± 0.02°
• Cell volume: 1040.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes