Information card for entry 4301142

Structure parameters

• Formula: C16 H15 Cu F6 N3 P
• Calculated formula: C16 H15 Cu F6 N3 P
• SMILES: [Cu]1([n]2c(C)ccc3ccc4c([n]1c(cc4)C)c23)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Strong Coordination of Tetraphenylborate Anion to Copper(I) Bipyridine and Phenanthroline-Based Complexes and Its Effect on Catalytic Activity in the Cyclopropanation of Styrene
• Authors of publication: Carolynne Ricardo; Lauren M. Matosziuk; Jeffrey D. Evanseck; Tomislav Pintauer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 16 - 18
• a: 7.6259 ± 0.0008 Å
• b: 12.4236 ± 0.0013 Å
• c: 19.637 ± 0.002 Å
• α: 90°
• β: 93.934 ± 0.002°
• γ: 90°
• Cell volume: 1856 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No