Information card for entry 4305148

Structure parameters

• Formula: C21 H42 Cu2 N10 O17
• Calculated formula: C21 H35 Cu2 N10 O17
• SMILES: [Cu]1234([O](c5c(cc(C)cc5C=[N]1CC[N]14CC[NH2+]CC1)C=[N]1CC[N]45CC[NH2+]CC4)[Cu]15([OH]2)(ON(=[O]3)=O)ON(=O)=O)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Catechol Oxidase Activity of a Series of New Dinuclear Copper(II) Complexes with 3,5-DTBC and TCC as Substrates: Syntheses, X-ray Crystal Structures, Spectroscopic Characterization of the Adducts and Kinetic Studies
• Authors of publication: Kazi Sabnam Banu; Tanmay Chattopadhyay; Arpita Banerjee; Santanu Bhattacharya; Eringathodi Suresh; Munirathinam Nethaji; Ennio Zangrando; Debasis Das
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7083 - 7093
• a: 8.614 ± 0.002 Å
• b: 39.907 ± 0.005 Å
• c: 9.56 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3286.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No