Information card for entry 4350551

Structure parameters

• Formula: C48 H49 Cl3 Cu3 N10 O10 P2
• Calculated formula: C48 H49 Cl3 Cu3 N10 O10 P2
• 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)[OH]C.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC
• 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: 10.2032 ± 0.001 Å
• b: 17.2968 ± 0.0017 Å
• c: 17.3698 ± 0.0017 Å
• α: 114.253 ± 0.002°
• β: 97.668 ± 0.002°
• γ: 91.018 ± 0.002°
• Cell volume: 2761 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No