Information card for entry 2237580

Structure parameters

• Chemical name: Diaquabis(2-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)
• Formula: C26 H24 Cl2 Co N4 O8
• Calculated formula: C26 H24 Cl2 Co N4 O8
• SMILES: c1c[n]([Co]([n]2cc(ccc2)C(=O)N)(OC(=O)c2c(cccc2)Cl)(OC(=O)c2c(cccc2)Cl)([OH2])[OH2])cc(c1)C(=O)N
• Title of publication: Diaquabis(2-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)
• Authors of publication: Dincel, Öznur; Tercan, Barış; Öztürkkan, Füreya Elif; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m173 - m174
• a: 7.8679 ± 0.0002 Å
• b: 17.9522 ± 0.0003 Å
• c: 9.8492 ± 0.0002 Å
• α: 90°
• β: 106.637 ± 0.003°
• γ: 90°
• Cell volume: 1332.92 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes