Information card for entry 2008667

Structure parameters

• Chemical name: (5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)
• Formula: C21 H17 Cu N3 O5
• Calculated formula: C21 H17 Cu N3 O5
• SMILES: [Cu]12(Oc3ccccc3C=[O]1)([n]1cccc3c(c(c4ccc[n]2c4c13)C)C)ON(=O)=O
• Title of publication: (5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II)
• 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: 1063 - 1065
• a: 9.573 ± 0.001 Å
• b: 10.19 ± 0.001 Å
• c: 19.213 ± 0.002 Å
• α: 90°
• β: 90.32 ± 0.01°
• γ: 90°
• Cell volume: 1874.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No