Information card for entry 2015978

Structure parameters

• Chemical name: Diaquabis(4-fluorobenzoato-κO)bis(nicotinamide-κN)cobalt(II)
• Formula: C26 H24 Co F2 N4 O8
• Calculated formula: C26 H24 Co F2 N4 O8
• SMILES: c1c(ccc[n]1[Co]([OH2])([OH2])(OC(=O)c1ccc(F)cc1)([n]1cc(ccc1)C(=O)N)OC(=O)c1ccc(F)cc1)C(=O)N
• Title of publication: Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)cobalt(II)
• Authors of publication: Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Ozturkkan, Elif Fureyya; Necefoglu, Hacali
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m243 - m245
• a: 11.9883 ± 0.001 Å
• b: 8.9128 ± 0.0005 Å
• c: 12.4236 ± 0.0015 Å
• α: 90°
• β: 90.499 ± 0.008°
• γ: 90°
• Cell volume: 1327.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0487
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes