Information card for entry 4310972

Structure parameters

• Formula: C65 H71 B2 Cu2 F8 N3 P4
• Calculated formula: C65 H71 B2 Cu2 F8 N3 P4
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)C[P]([Cu]([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)(C#[N]C(C)(C)C)C2=NC(C)(C)C)(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands
• Authors of publication: Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3127 - 3135
• a: 20.395 ± 0.003 Å
• b: 15.287 ± 0.002 Å
• c: 21.022 ± 0.004 Å
• α: 90°
• β: 92.347 ± 0.014°
• γ: 90°
• Cell volume: 6548.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No