Information card for entry 4346308

Structure parameters

• Formula: C62 H54 Cu N4 O6 P2
• Calculated formula: C62 H54 Cu N4 O6 P2
• SMILES: [Cu]123N(c4c(N3C(=O)C(=O)O1)cc(N(C)C)c(N(C)C)c4)C(=O)C(=O)O2.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.0795 ± 0.0011 Å
• b: 25.948 ± 0.002 Å
• c: 14.5253 ± 0.0011 Å
• α: 90°
• β: 101.16 ± 0.001°
• γ: 90°
• Cell volume: 5206.3 ± 0.7 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 6
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No