Information card for entry 2225808

Structure parameters

• Chemical name: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- methylbenzoato-κ<i>O</i>)cobalt(II)
• Formula: C36 H46 Co N4 O8
• Calculated formula: C36 H46 Co N4 O8
• SMILES: [OH2][Co]([n]1cccc(c1)C(=O)N(CC)CC)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(cc1)C)(OC(=O)c1ccc(cc1)C)[OH2]
• Title of publication: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-methylbenzoato-κ<i>O</i>)cobalt(II)
• Authors of publication: Necefoğlu, Hacali; Çimen, Efdal; Tercan, Barış; Ermiş, Emel; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m556 - m557
• a: 7.2791 ± 0.0002 Å
• b: 8.5453 ± 0.0002 Å
• c: 16.0438 ± 0.0004 Å
• α: 84.09 ± 0.003°
• β: 77.583 ± 0.003°
• γ: 67.271 ± 0.002°
• Cell volume: 898.71 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes