Information card for entry 2238051

Structure parameters

• Chemical name: Diaquabis(3-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: [Co]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)(OC(=O)c1cc(ccc1)Cl)(OC(=O)c1cc(ccc1)Cl)([OH2])[OH2]
• Title of publication: Diaquabis(3-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)
• Authors of publication: Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m349 - m350
• a: 11.5181 ± 0.0003 Å
• b: 8.8191 ± 0.0002 Å
• c: 13.5089 ± 0.0003 Å
• α: 90°
• β: 90.546 ± 0.002°
• γ: 90°
• Cell volume: 1372.16 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes