Information card for entry 7118262

Structure parameters

• Formula: C38 H40 Cl8 Cu2 N6
• Calculated formula: C38 H40 Cl8 Cu2 N6
• SMILES: C123N(C=CN1c1c(cc(cc1C)C)C)Cc1[n](ccc(c1)Cl)[Cu]13([Cu]32(Cl)C21N(C=CN2c1c(cc(cc1C)C)C)Cc1[n]3ccc(c1)Cl)Cl.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: 8.253 ± 0.003 Å
• b: 10.948 ± 0.003 Å
• c: 11.802 ± 0.004 Å
• α: 85.792 ± 0.009°
• β: 89.721 ± 0.009°
• γ: 78.477 ± 0.009°
• Cell volume: 1042 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No