Information card for entry 1565676

Structure parameters

• Formula: C32 H32 Cl4 Cu2 N4 O4
• Calculated formula: C32 H32 Cl4 Cu2 N4 O4
• SMILES: C1C=[N](c2ccc(cc2)OC)[Cu]2([N]=1c1ccc(cc1)OC)(Cl)[Cl][Cu]1([N](=CC=[N]1c1ccc(OC)cc1)c1ccc(cc1)OC)(Cl)[Cl]2
• 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: 8.128 ± 0.0008 Å
• b: 10.0921 ± 0.001 Å
• c: 11.5611 ± 0.0011 Å
• α: 81.617 ± 0.003°
• β: 71.377 ± 0.003°
• γ: 69.912 ± 0.003°
• Cell volume: 843.32 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No