Information card for entry 7118263

Structure parameters

• Formula: C40 H46 Cl6 Cu2 N6 O2
• Calculated formula: C40 H46 Cl6 Cu2 N6 O2
• SMILES: C12N(C=CN1Cc1[n](ccc(OC)c1)[Cu]1([Cu]=2(Cl)[n]2c(CN3C=1N(C=C3)c1c(cc(cc1C)C)C)cc(OC)cc2)Cl)c1c(cc(cc1C)C)C.C(Cl)Cl.C(Cl)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: 8.292 ± 0.002 Å
• b: 10.995 ± 0.003 Å
• c: 12.277 ± 0.004 Å
• α: 84.743 ± 0.009°
• β: 86.68 ± 0.008°
• γ: 78.394 ± 0.008°
• Cell volume: 1090.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.041
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No