Information card for entry 1565677

Structure parameters

• Formula: C32 H32 Cl2 Cu2 N4 O4
• Calculated formula: C32 H32 Cl2 Cu2 N4 O4
• SMILES: [Cu]123([Cu]4([Cl]1)([Cl]2)[N](=CC=[N]4c1ccc(OC)cc1)c1ccc(OC)cc1)[N](=CC=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Copper complexes of 1,4-diazabutadiene ligands: Tuning of metal oxidation state and, application in catalytic C-C and C-N bond formation
• Authors of publication: Mukherjee, Aparajita; Basu, Semanti; Bhattacharya, Samaresh
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119228
• a: 8.013 ± 0.0014 Å
• b: 11.717 ± 0.002 Å
• c: 34.489 ± 0.007 Å
• α: 90°
• β: 95.018 ± 0.011°
• γ: 90°
• Cell volume: 3225.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No