Information card for entry 2222430

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline)(4-hydroxypyridine-2,6- dicarboxylato)copper(II) trihydrate
• Formula: C21 H21 Cu N3 O8
• Calculated formula: C21 H21 Cu N3 O8
• SMILES: [Cu]123(OC(=O)c4[n]3c(cc(O)c4)C(=O)O1)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C.O.O.O
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline)(4-hydroxypyridine-2,6-dicarboxylato)copper(II) trihydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Manteghi, Faranak; Najafi, Shokoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m761 - m762
• a: 10.0212 ± 0.0002 Å
• b: 14.8645 ± 0.0003 Å
• c: 15.4418 ± 0.0003 Å
• α: 91.193 ± 0.001°
• β: 106.836 ± 0.001°
• γ: 109.263 ± 0.001°
• Cell volume: 2061.05 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes