Information card for entry 4340841

Structure parameters

• Chemical name: (1,3-bis(2,6-di-iso-propylphenyl)-4,5-dihydroimidazol-2-ylidene) ( 2,2'-dipyridylamine) copper hexafluorophosphate
• Formula: C38 H48 Cl3 Cu F6 N5 P
• Calculated formula: C38 H48 Cl3 Cu F6 N5 P
• 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: 11.2079 ± 0.0002 Å
• b: 11.7079 ± 0.0002 Å
• c: 17.1435 ± 0.0004 Å
• α: 86.786 ± 0.001°
• β: 77.69 ± 0.001°
• γ: 79.534 ± 0.001°
• Cell volume: 2160.95 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No