Information card for entry 4325861

Structure parameters

• Formula: C24 H27 Cu2 N7 O11
• Calculated formula: C24 H27 Cu2 N7 O11
• SMILES: c12c3cc(cc1C=[N]1CCc4cccc[n]4[Cu]41([O]2[Cu]1([n]5c(CC[N]1=C3)cccc5)([O]4N(=O)=O)[OH2])ON(=O)=O)CC.N(=O)(=O)[O-]
• Title of publication: Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity
• Authors of publication: Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7540 - 7554
• a: 10.169 ± 0.005 Å
• b: 11.127 ± 0.005 Å
• c: 13.182 ± 0.006 Å
• α: 94.846 ± 0.012°
• β: 104.436 ± 0.011°
• γ: 105.468 ± 0.011°
• Cell volume: 1373.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No