Information card for entry 4340195

Structure parameters

• Formula: C42 H70 N2 Ni O4 Si2
• Calculated formula: C42 H70 N2 Ni O4 Si2
• SMILES: c12C=[N]3[Ni]4(Oc2c(cc(c1)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)[N](CC3)=Cc1cc(cc(c1O4)C(C)(C)C)O[Si](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: 42.822 ± 0.005 Å
• b: 13.0594 ± 0.0016 Å
• c: 7.8033 ± 0.0008 Å
• α: 90°
• β: 90.953 ± 0.007°
• γ: 90°
• Cell volume: 4363.2 ± 0.9 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No