Information card for entry 4340197

Structure parameters

• Formula: C42 H70 Cu N2 O4 Si2
• Calculated formula: C42 H70 Cu N2 O4 Si2
• SMILES: [Cu]123Oc4c(cc(cc4C=[N]3CC[N]2=Cc2c(c(cc(c2)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)O1)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C
• 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: 13.6104 ± 0.0016 Å
• b: 13.9565 ± 0.0016 Å
• c: 14.5464 ± 0.0018 Å
• α: 110.51 ± 0.006°
• β: 102.452 ± 0.007°
• γ: 113.463 ± 0.006°
• Cell volume: 2161.7 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No