Information card for entry 7704287

Structure parameters

• Formula: C46 H46 Cl3 Co2 N10 O17
• Calculated formula: C46 H46 Cl3 Co2 N10 O17
• SMILES: Cl(=O)(=O)(=O)[O-].[Co]1234([OH2])[n]5cccc6c5c(N1C(=O)C[N]3(Cc1[n]4cccc1)Cc1[n]2cccc1)ccc6.[Co]1234([OH2])N(c5c6[n]1cccc6ccc5)C(=O)C[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Redox-active ligand assisted electrocatalytic water oxidation by a mononuclear cobalt complex.
• Authors of publication: Biswas, Sachidulal; Bose, Suranjana; Debgupta, Joyashish; Das, Purak; Biswas, Achintesh N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 7155 - 7165
• a: 12.563 ± 0.005 Å
• b: 18.556 ± 0.008 Å
• c: 23.167 ± 0.01 Å
• α: 90°
• β: 94.53 ± 0.006°
• γ: 90°
• Cell volume: 5384 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.147
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No