Information card for entry 7030057

Structure parameters

• Formula: C26 H19 Br N4 O4
• Calculated formula: C26 H19 Br N4 O4
• SMILES: [Br-].c1c(N(=O)=O)c2cccc3c2c(C(=O)N(C3=O)c2ccc[n+](c2)Cc2ccccc2)c1.N#CC
• 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: 7.2517 ± 0.0015 Å
• b: 25.162 ± 0.005 Å
• c: 12.801 ± 0.003 Å
• α: 90°
• β: 102.23 ± 0.03°
• γ: 90°
• Cell volume: 2282.8 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No