Information card for entry 4340839

Structure parameters

• Chemical name: (1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (1,10-phenanthroline) copper tetrafluoroborate
• Formula: C39 H44 B Cu F4 N4
• Calculated formula: C39 H44 B Cu F4 N4
• 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: 8.8858 ± 0.0003 Å
• b: 22.9533 ± 0.0008 Å
• c: 19.1857 ± 0.0007 Å
• α: 90°
• β: 96.252 ± 0.002°
• γ: 90°
• Cell volume: 3889.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No