Information card for entry 7106211

Structure parameters

• Chemical name: aqua(2,6-(bis(bis-2-pyridyl0methoxymethane)pyridine)cobalt(II) percloro
• Formula: C29 H27 Cl2 Co N5 O11
• Calculated formula: C29 H27 Cl2 Co N5 O11
• SMILES: [Co]1234([n]5c(C(OC)(c6[n]2c(C(OC)(c2[n]3cccc2)c2[n]4cccc2)ccc6)c2[n]1cccc2)cccc5)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Electrochemical evidence for catalytic water oxidation mediated by a high-valent cobalt complex: aqua(2,6-(bis(bis-2-pyridyl0methoxymethane)pyridine)cobalt(II) percloro
• Authors of publication: Derek J. Wasylenko; Chelladurai Ganesamoorthy; Javier Borau-Garcia; Curtis Berlinguette
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4249
• a: 12.5935 ± 0.0003 Å
• b: 12.7118 ± 0.0006 Å
• c: 19.2504 ± 0.0004 Å
• α: 90°
• β: 93.663 ± 0.002°
• γ: 90°
• Cell volume: 3075.42 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No