Information card for entry 2207516

Structure parameters

• Chemical name: μ-Aqua-κ^2^O:O-di-μ-phenylacetato-κ^2^O:O'-bis[(1,10-phenanthroline- κ^2^N,N')(phenylacetato-κO)cobalt(II)]
• Formula: C56 H46 Co2 N4 O9
• Calculated formula: C56 H46 Co2 N4 O9
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Co]124([O]=C(O[Co]3([OH2]2)([n]2cccc4ccc5ccc[n]3c5c24)([O]=C(O1)Cc1ccccc1)OC(=O)Cc1ccccc1)Cc1ccccc1)OC(=O)Cc1ccccc1
• Title of publication: μ-Aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-phenylacetato-κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(phenylacetato-κ<i>O</i>)cobalt(II)]
• Authors of publication: Kong, Li-Li; Huo, Li-Hua; Gao, Shan; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2485 - m2487
• a: 28.035 ± 0.002 Å
• b: 8.7132 ± 0.0017 Å
• c: 21.92 ± 0.002 Å
• α: 90°
• β: 112.92 ± 0.03°
• γ: 90°
• Cell volume: 4931.8 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes