Information card for entry 4346307

Structure parameters

• Formula: C40 H56 Cu N4 O2
• Calculated formula: C40 H56 Cu N4 O2
• SMILES: c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[Cu]13[N](c4c(cc(c(c4)N(C)C)N(C)C)[N]1=C2)=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Redox noninnocence of the bridge in copper(II) salophen and bis(oxamato) complexes.
• Authors of publication: de Bellefeuille, David; Orio, Maylis; Barra, Anne-Laure; Aukauloo, Ally; Journaux, Yves; Philouze, Christian; Ottenwaelder, Xavier; Thomas, Fabrice
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9013 - 9026
• a: 24.25 ± 0.005 Å
• b: 15.236 ± 0.003 Å
• c: 10.361 ± 0.002 Å
• α: 90°
• β: 101.68 ± 0.03°
• γ: 90°
• Cell volume: 3748.8 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0648
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No