Information card for entry 2212821

Structure parameters

• Chemical name: trans-Diaqua(isonicotinamide-κN)(pyridine-2,6-dicarboxylate- κ^3^N,O,O')cobalt(III)
• Formula: C13 H13 Co N3 O7
• Calculated formula: C13 H13 Co N3 O7
• SMILES: [Co]12([OH2])([OH2])(OC(=O)c3[n]2c(ccc3)C(=O)O1)[n]1ccc(cc1)C(=O)N
• Title of publication: <i>trans</i>-Diaqua(isonicotinamide-κ<i>N</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')cobalt(III)
• Authors of publication: Germán-Acacio, Juan Manuel; Hernández-Ortega, Simón; Valdés-Martínez, Jesús
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1057 - m1058
• a: 17.7893 ± 0.0008 Å
• b: 10.9635 ± 0.0008 Å
• c: 15.7479 ± 0.0009 Å
• α: 90°
• β: 105.295 ± 0.002°
• γ: 90°
• Cell volume: 2962.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes