Information card for entry 7022651

Structure parameters

• Formula: C48 H52 Cl2 Cu2 N10 O12
• Calculated formula: C48 H52 Cl2 Cu2 N10 O12
• SMILES: c12ccc(cc1C[N]13Cc4[n](cccc4)[Cu]43([O]2[Cu]235[N](Cc6c(ccc(c6)OC)[O]45)(Cc4[n]2cccc4)Cc2[n]3cccc2)[n]2ccccc2C1)OC.N#CC.N#CC.[O-]Cl(=O)(=O)=O.N#CC.N#CC.[O-]Cl(=O)(=O)=O
• Title of publication: Nuclease and anti-proliferative activities of copper(II) complexes of N3O tripodal ligands involving a sterically hindered phenolate.
• Authors of publication: Berthet, Nathalie; Martel-Frachet, Véronique; Michel, Fabien; Philouze, Christian; Hamman, Sylvain; Ronot, Xavier; Thomas, Fabrice
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8468 - 8483
• a: 11.731 ± 0.002 Å
• b: 19.464 ± 0.004 Å
• c: 10.997 ± 0.002 Å
• α: 90°
• β: 93.31 ± 0.03°
• γ: 90°
• Cell volume: 2506.8 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No