Information card for entry 7119081

Structure parameters

• Formula: C27.5 H40 Cl Cu I N
• Calculated formula: C27.5 H40 Cl Cu I N
• SMILES: I[Cu]=C1N(C(C)(C)CC21C1CC3CC2CC(C1)C3)c1c(C(C)C)cccc1C(C)C.ClCCl
• Title of publication: Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence
• Authors of publication: Alexander S. Romanov; Dawei Di; Le Yang; Julio Fernandez-Cestau; Ciaran R. Becker; Charlotte E. James; Bonan Zhu; Mikko Linnolahti; Dan Credgington; Manfred Bochmann
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6379
• a: 11.1918 ± 0.0002 Å
• b: 11.9685 ± 0.0002 Å
• c: 20.7901 ± 0.0004 Å
• α: 101.52 ± 0.002°
• β: 94.798 ± 0.001°
• γ: 94.419 ± 0.001°
• Cell volume: 2706.59 ± 0.09 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0289
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No