Information card for entry 4331557

Structure parameters

• Formula: C12 H12 Cu N4 O4
• Calculated formula: C12 H12 Cu0.836 N4 O4
• Title of publication: Mono-, Di-, and Oligonuclear Complexes of CuIIIons andp-Hydroquinone Ligands: Syntheses, Electrochemical Properties, and Magnetic Behavior
• Authors of publication: Margraf, Günter; Kretz, Tonia; de Biani, Fabrizia Fabrizi; 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: 8.3167 ± 0.0013 Å
• b: 4.8505 ± 0.0007 Å
• c: 15.561 ± 0.002 Å
• α: 90°
• β: 94.108 ± 0.007°
• γ: 90°
• Cell volume: 626.12 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No