Information card for entry 4336478

Structure parameters

• Formula: C99 H78 B2 Cl2 Cu2 F8 N4 P4
• Calculated formula: C99 H78 B2 Cl2 Cu2 F8 N4 P4
• SMILES: c1cc(c2ccc3c(cc[n]4c3c2[n]1[Cu]14[P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Cu]2([n]3ccc(c4ccc5c(cc[n]2c5c34)c2ccccc2)c2ccccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].[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: 14.8569 ± 0.0001 Å
• b: 26.664 ± 0.0002 Å
• c: 25.5647 ± 0.0002 Å
• α: 90°
• β: 106.834 ± 0.001°
• γ: 90°
• Cell volume: 9693.33 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No