Information card for entry 2008668

Structure parameters

• Chemical name: Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate
• Formula: C31 H25 Cu N3 O7
• Calculated formula: C31 H25 Cu N3 O7
• SMILES: [Cu]12([OH2])(Oc3ccccc3C=[O]1)[n]1ccc(c3ccc4c(cc[n]2c4c13)c1ccccc1)c1ccccc1.O.N(=O)(=O)[O-]
• Title of publication: Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate
• Authors of publication: Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1065 - 1067
• a: 10.67 ± 0.001 Å
• b: 11.752 ± 0.001 Å
• c: 12.099 ± 0.001 Å
• α: 83.93 ± 0.01°
• β: 72.21 ± 0.01°
• γ: 74.02 ± 0.01°
• Cell volume: 1388.4 ± 0.2 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: 0.078
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No