Information card for entry 4346305

Structure parameters

• Formula: C40 H58 N4 O2
• Calculated formula: C40 H58 N4 O2
• SMILES: Oc1c(/C=N/c2c(/N=C/c3cc(cc(c3O)C(C)(C)C)C(C)(C)C)cc(N(C)C)c(N(C)C)c2)cc(cc1C(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: 12.046 ± 0.0008 Å
• b: 17.8754 ± 0.0012 Å
• c: 17.7441 ± 0.0012 Å
• α: 90°
• β: 102.635 ± 0.001°
• γ: 90°
• Cell volume: 3728.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No