Information card for entry 4336475

Structure parameters

• Formula: C41 H38 B Cu F4 N2 P2
• Calculated formula: C41 H38 B Cu F4 N2 P2
• SMILES: [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(C)ccc3c1c1[n]2c(ccc1cc3)C.[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: 10.45 ± 0.002 Å
• b: 16.194 ± 0.003 Å
• c: 10.998 ± 0.002 Å
• α: 90°
• β: 100.97 ± 0.03°
• γ: 90°
• Cell volume: 1827.2 ± 0.6 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No