Information card for entry 4348586

Structure parameters

• Formula: C30 H34 Cu N4
• Calculated formula: C30 H34 Cu N4
• SMILES: [Cu]12(n3cccc3C=[N]1c1ccc(cc1)C(C)(C)C)n1cccc1C=[N]2c1ccc(cc1)C(C)(C)C
• Title of publication: Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex.
• Authors of publication: Back, Oliver; Leppin, Jana; Förster, Christoph; Heinze, Katja
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9653 - 9662
• a: 10.021 ± 0.004 Å
• b: 10.316 ± 0.004 Å
• c: 13.898 ± 0.005 Å
• α: 78.506 ± 0.01°
• β: 88.588 ± 0.01°
• γ: 73.641 ± 0.01°
• Cell volume: 1350.2 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No