Information card for entry 7030055

Structure parameters

• Formula: C40 H32 Cl2 Cu N8 O18
• Calculated formula: C40 H32 Cl2 Cu N8 O18
• SMILES: N1(C(=O)c2c3c(C1=O)ccc(c3ccc2)N(=O)=O)c1cc[n]([Cu]([N]#CC)([OH]C)([n]2ccc(N3C(=O)c4ccc(c5cccc(c45)C3=O)N(=O)=O)cc2)([N]#CC)[OH]C)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.
• Authors of publication: Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6468 - 6479
• a: 15.707 ± 0.003 Å
• b: 8.125 ± 0.0016 Å
• c: 16.943 ± 0.003 Å
• α: 90°
• β: 99.55 ± 0.03°
• γ: 90°
• Cell volume: 2132.3 ± 0.7 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 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: 0.0369
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No