Information card for entry 2214455

Structure parameters

• Chemical name: Diaquabis(4-bromobenzoato-κO)bis(nicotinamide-κN^1^)cobalt(II)
• Formula: C26 H24 Br2 Co N4 O8
• Calculated formula: C26 H24 Br2 Co N4 O8
• SMILES: C(=O)(c1ccc(Br)cc1)O[Co]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)(OC(=O)c1ccc(Br)cc1)([OH2])[OH2]
• Title of publication: Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)
• Authors of publication: Hökelek, Tuncer; Çaylak, Nagihan; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1873 - m1874
• a: 7.6202 ± 0.0001 Å
• b: 9.9593 ± 0.0003 Å
• c: 10.1125 ± 0.0002 Å
• α: 77.92 ± 0.01°
• β: 85.65 ± 0.01°
• γ: 71.65 ± 0.02°
• Cell volume: 712.26 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes