Information card for entry 2239175

Structure parameters

• Common name: Cobalt(II) Dimer
• Chemical name: Bis(μ~2~-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-bipyridine-κ<i>N</i>)cobalt(II)]‒benzoic acid (1/6)
• Formula: C110 H88 Co2 N8 O20
• Calculated formula: C110 H88 Co2 N8 O20
• SMILES: [n]1(ccc(c2ccncc2)cc1)[Co]12([O]=C(O1)c1ccccc1)([O]=C(O[Co]1([n]3ccc(c4ccncc4)cc3)([n]3ccc(c4ccncc4)cc3)([O]=C(O1)c1ccccc1)[O]=C(O2)c1ccccc1)c1ccccc1)[n]1ccc(c2ccncc2)cc1.O=C(O)c1ccccc1.OC(=O)c1ccccc1.OC(=O)c1ccccc1.O=C(O)c1ccccc1.OC(=O)c1ccccc1.OC(=O)c1ccccc1
• Title of publication: Bis(μ~2~-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-bipyridine-κ<i>N</i>)cobalt(II)]‒benzoic acid (1/6)
• Authors of publication: Peña-Rodríguez, Rodolfo; Rivera, José María; Colorado-Peralta, Raúl; Duarte-Hernández, Angélica María; Flores-Parra, Angelina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: m21 - m22
• a: 10.4977 ± 0.0006 Å
• b: 15.8329 ± 0.0007 Å
• c: 16.3994 ± 0.0008 Å
• α: 64.222 ± 0.003°
• β: 87.792 ± 0.003°
• γ: 86.469 ± 0.003°
• Cell volume: 2449.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1818
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes