Information card for entry 2218201

Structure parameters

• Chemical name: Bis(pyridine-κN)bis(triphenylphosphine-κP)copper(I) tetrafluoridoborate
• Formula: C46 H40 B Cu F4 N2 P2
• Calculated formula: C46 H40 B Cu F4 N2 P2
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Bis(pyridine-κ<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I) tetrafluoridoborate
• Authors of publication: Healy, Peter C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m607
• a: 10.89 ± 0.005 Å
• b: 13.488 ± 0.006 Å
• c: 15.547 ± 0.006 Å
• α: 84.97 ± 0.03°
• β: 109.59 ± 0.03°
• γ: 101.93 ± 0.03°
• Cell volume: 2104.5 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes