Information card for entry 4346306

Structure parameters

• Formula: C18 H26 N4 O6
• Calculated formula: C18 H26 N4 O6
• SMILES: O=C(Nc1c(NC(=O)C(=O)OCC)cc(N(C)C)c(N(C)C)c1)C(=O)OCC
• 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: 11.0946 ± 0.0008 Å
• b: 12.5522 ± 0.0009 Å
• c: 16.3727 ± 0.0012 Å
• α: 78.105 ± 0.001°
• β: 70.644 ± 0.001°
• γ: 66.753 ± 0.001°
• Cell volume: 1969.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No