Information card for entry 2210909

Structure parameters

• Chemical name: [Aqua(pyridine-2,6-dicarboxylato-κ^3^N,O,O')(1,10-phenanthroline- κ^2^N,N')nickel(II)] monohydrate
• Formula: C19 H15 N3 Ni O6
• Calculated formula: C19 H15 N3 Ni O6
• SMILES: [Ni]123(OC(=O)c4[n]2c(ccc4)C(=O)O1)([OH2])[n]1cccc2c1c1[n]3cccc1cc2.O
• Title of publication: Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) monohydrate
• Authors of publication: Palani Ramadevi; Sudalaiandi Kumaresan; Neeraj Sharma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2957 - m2959
• a: 10.686 ± 0.005 Å
• b: 27.285 ± 0.013 Å
• c: 19.169 ± 0.009 Å
• α: 90°
• β: 104.777 ± 0.009°
• γ: 90°
• Cell volume: 5404 ± 4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes