Information card for entry 4325864

Structure parameters

• Formula: C48 H50 Cl2 Cu4 N20 O10
• Calculated formula: C48 H50 Cl2 Cu4 N20 O10
• SMILES: c12c3cc(cc1C=[N]1CCc4[n](cccc4)[Cu]451[N](=N#N)[Cu]1([n]6c(CC[N]1=C3)cccc6)([O]24)N=N#[N][Cu]123[N](=Cc4c6c(cc(c4)CC)C=[N]4CCc7[n](cccc7)[Cu]4([N]2=N#N)([O]36)N=N#[N]5)CCc2[n]1cccc2)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 8.9895 ± 0.0002 Å
• b: 12.0401 ± 0.0003 Å
• c: 13.2996 ± 0.0003 Å
• α: 73.845 ± 0.001°
• β: 86.49 ± 0.001°
• γ: 74.236 ± 0.001°
• Cell volume: 1330.47 ± 0.05 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: 0.0386
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No