Information card for entry 4350553

Structure parameters

• Formula: C25 H43 Cl3 Cu3 N10 O7
• Calculated formula: C25 H43 Cl3 Cu3 N10 O7
• SMILES: [Cu]12(Cl)[OH]3[Cu](Cl)([n]4n1cc(N(=O)=O)c4)n1[n]([Cu]3(Cl)n3[n]2cc(N(=O)=O)c3)cc(N(=O)=O)c1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Trinuclear, antiferromagnetically coupled Cu(II) complex with an EPR spectrum of mononuclear Cu(II): effect of alcoholic solvents.
• Authors of publication: Mezei, Gellert; Raptis, Raphael G.; Telser, Joshua
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8841 - 8843
• a: 9.6526 ± 0.0011 Å
• b: 22.08 ± 0.003 Å
• c: 17.711 ± 0.002 Å
• α: 90°
• β: 101.483 ± 0.002°
• γ: 90°
• Cell volume: 3699.2 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No