Information card for entry 4340193

Structure parameters

• Formula: C26 H38 N2 Ni O6
• Calculated formula: C26 H35 N2 Ni O6
• SMILES: [Ni]123Oc4c(cc(cc4C=[N]1CC[N]3=Cc1c(c(cc(c1)O)C(C)(C)C)O2)O)C(C)(C)C.OC.OC
• 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: 29.115 ± 0.013 Å
• b: 7.089 ± 0.003 Å
• c: 27.811 ± 0.009 Å
• α: 90°
• β: 111.89 ± 0.02°
• γ: 90°
• Cell volume: 5326 ± 4 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 5
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No