Information card for entry 4340553

Structure parameters

• Formula: C20 H39 Cl Cu2 N10 O17
• Calculated formula: C20 H39 Cl Cu2 N10 O17
• SMILES: [Cu]123([OH][Cu]45([O]1c1c(cc(Cl)cc1C=[N]5CC[N]14CC[NH2+]CC1)C=[N]3CC[N]12CC[NH2+]CC1)ON(=O)=O)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.
• Authors of publication: Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8257 - 8269
• a: 8.7183 ± 0.0005 Å
• b: 40.122 ± 0.003 Å
• c: 9.5437 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3338.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No