Information card for entry 7118266

Structure parameters

• Formula: C36 H38 Cl2 Cu2 N6
• Calculated formula: C36 H38 Cl2 Cu2 N6
• SMILES: C1(N(C=CN1Cc1ccccn1)c1c(cc(cc1C)C)C)=[Cu]1[Cl][Cu](=C2N(C=CN2Cc2ncccc2)c2c(cc(cc2C)C)C)[Cl]1
• Title of publication: Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?
• Authors of publication: Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 2932 - 2935
• a: 10.0169 ± 0.0004 Å
• b: 15.969 ± 0.0006 Å
• c: 10.7209 ± 0.0004 Å
• α: 90°
• β: 95.056 ± 0.001°
• γ: 90°
• Cell volume: 1708.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.023
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No