Information card for entry 4340838

Structure parameters

• Chemical name: (1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2,2'bipyridine) copper tetrafluoroborate
• Formula: C37 H44 B Cu F4 N4
• Calculated formula: C37 H44 B Cu F4 N4
• SMILES: [Cu]1([n]2c(c3[n]1cccc3)cccc2)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.
• Authors of publication: Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9181 - 9191
• a: 15.3714 ± 0.0003 Å
• b: 16.9525 ± 0.0004 Å
• c: 26.5793 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6926.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No