Information card for entry 2213141

Structure parameters

• Chemical name: Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)cobalt(II)
• Formula: C26 H24 Cl2 Co N4 O8
• Calculated formula: C26 H24 Cl2 Co N4 O8
• SMILES: C(=O)(c1ccc(cc1)Cl)O[Co]([n]1cccc(c1)C(=O)N)([n]1cccc(c1)C(=O)N)(OC(=O)c1ccc(cc1)Cl)([OH2])[OH2]
• Title of publication: Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)cobalt(II)
• Authors of publication: Çaylak, Nagihan; Hökelek, Tuncer; Öztürkkan, F. Elif; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1344 - m1346
• a: 7.5945 ± 0.0002 Å
• b: 9.9333 ± 0.0002 Å
• c: 10.0701 ± 0.0003 Å
• α: 78.9 ± 0.01°
• β: 86.84 ± 0.01°
• γ: 71.55 ± 0.02°
• Cell volume: 707.13 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes