Information card for entry 4340194

Structure parameters

• Formula: C30 H54 Cu2 F12 N10 O2 P2
• Calculated formula: C30 H54 Cu2 F12 N10 O2 P2
• SMILES: O1c2c(n3[n](ccc3)[Cu]341[N](CC[N]3(CC[N]4(C)C)C)(C)C)cc1O[Cu]34([n]5cccn5c1c2)[N](CC[N]3(CC[N]4(C)C)C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.
• Authors of publication: Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1277 - 1288
• a: 7.6587 ± 0.0008 Å
• b: 20.46 ± 0.003 Å
• c: 14.015 ± 0.003 Å
• α: 90°
• β: 105.026 ± 0.015°
• γ: 90°
• Cell volume: 2121 ± 0.6 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 7
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No