Information card for entry 2226398

Structure parameters

• Chemical name: Diaqua(isonicotinamide-κ<i>N</i>^1^)(4-methoxybenzoato- κ^2^<i>O</i>,<i>O</i>')(4-methoxybenzoato-κ<i>O</i>)cobalt(II)
• Formula: C22 H24 Co N2 O9
• Calculated formula: C22 H24 Co N2 O9
• SMILES: [Co]1([O]=C(O1)c1ccc(OC)cc1)(OC(=O)c1ccc(OC)cc1)([OH2])([OH2])[n]1ccc(cc1)C(=O)N
• Title of publication: Diaqua(isonicotinamide-κ<i>N</i>^1^)(4-methoxybenzoato-κ^2^<i>O</i>,<i>O</i>')(4-methoxybenzoato-κ<i>O</i>)cobalt(II)
• Authors of publication: Hökelek, Tuncer; Süzen, Yasemin; Tercan, Barış; Tenlik, Erdinç; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m784 - m785
• a: 8.2666 ± 0.0002 Å
• b: 6.8055 ± 0.0002 Å
• c: 20.5415 ± 0.0004 Å
• α: 90°
• β: 99.808 ± 0.002°
• γ: 90°
• Cell volume: 1138.74 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes