Information card for entry 7118264

Structure parameters

• Formula: C18 H18 Cl Cu N4 O2
• Calculated formula: C18 H18 Cl Cu N4 O2
• SMILES: C1(N(C=CN1Cc1cc(N(=O)=O)ccn1)c1c(cc(cc1C)C)C)=[Cu]Cl
• 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: 9.0636 ± 0.0013 Å
• b: 9.6375 ± 0.0013 Å
• c: 20.925 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1827.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No