Information card for entry 2312091

Structure parameters

• Chemical name: Aqua[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-olato-κ<i>O</i>^2^,<i>O</i>^3^](1,10-phenanthroline-κ<i>N</i>,<i>N</i>')copper(II) nitrate methanol monosolvate
• Formula: C25 H20 Cu N4 O8
• Calculated formula: C25 H20 Cu N4 O8
• SMILES: [Cu]12([O]=C3N(O1)C(=O)c1c4c3cccc4ccc1)([OH2])[n]1c3c4[n]2cccc4ccc3ccc1.N(=O)(=O)[O-].OC
• Title of publication: Synthesis, crystal structure and biological properties of a fluorophore-labelled mixed-ligand copper(II) complex incorporating N-hydroxynaphthalene-1,8-dicarboximide.
• Authors of publication: Bhat, Satish Shantaram; Kawade, Vitthal A.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2022
• Journal volume: 78
• Journal issue: Pt 12
• Pages of publication: 755 - 759
• a: 10.4795 ± 0.0004 Å
• b: 11.1326 ± 0.0004 Å
• c: 12.1768 ± 0.0007 Å
• α: 101.393 ± 0.003°
• β: 105.793 ± 0.003°
• γ: 115.958 ± 0.002°
• Cell volume: 1143.78 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0692
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes