Information card for entry 2221556

Structure parameters

• Chemical name: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- formylbenzoato-κ<i>O</i>)cobalt(II)
• Formula: C36 H42 Co N4 O10
• Calculated formula: C36 H42 Co N4 O10
• SMILES: [Co]([n]1cccc(c1)C(=O)N(CC)CC)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([OH2])[OH2]
• Title of publication: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-formylbenzoato-κ<i>O</i>)cobalt(II)
• Authors of publication: Sertçelik, Mustafa; Tercan, Barış; Şahin, Ertan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m389 - m390
• a: 7.2962 ± 0.0002 Å
• b: 8.6863 ± 0.0003 Å
• c: 15.9453 ± 0.0005 Å
• α: 85.433 ± 0.002°
• β: 78.608 ± 0.003°
• γ: 68.022 ± 0.002°
• Cell volume: 918.64 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes