Information card for entry 4336474

Structure parameters

• Formula: C44 H46 B Cu F4 N2 O P2
• Calculated formula: C44 H46 B Cu F4 N2 O P2
• SMILES: [Cu]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(C)ccc3c1c1[n]2c(ccc1cc3)C.CCOCC.[B](F)(F)(F)[F-]
• Title of publication: Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands
• Authors of publication: Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12140 - 12151
• a: 21.129 ± 0.003 Å
• b: 21.129 ± 0.003 Å
• c: 36.05 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16094 ± 4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No