Information card for entry 7704288

Structure parameters

• Formula: C26 H32 Cl2 Co N5 O4
• Calculated formula: C23 H20 Cl2 Co N5 O
• SMILES: [Co]1234(N(c5cccc6ccc[n]1c56)C(=O)C[N]4(Cc1[n]2cccc1)Cc1[n]3cccc1)Cl.[Cl-]
• 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: 8.7167 ± 0.0006 Å
• b: 13.2069 ± 0.0008 Å
• c: 13.7214 ± 0.0012 Å
• α: 112.93 ± 0.007°
• β: 92.528 ± 0.007°
• γ: 108.905 ± 0.006°
• Cell volume: 1349.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No