Information card for entry 7027742

Structure parameters

• Chemical name: Bis(triphenylphosphine)bis(pyridazine)copper(I) tetrafluoroborate
• Formula: C44 H38 B Cu F4 N4 P2
• Calculated formula: C44 H38 B Cu F4 N4 P2
• SMILES: [Cu]([n]1ncccc1)([n]1ncccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: The role of hydrogen-bonding interactions in stabilising trigonal planar copper(I) in Cu(BF4)‒pyridazine‒nitrile systems †
• Authors of publication: Batsanov, Andrei S.; Begley, Michael J.; George, Michael W.; Hubberstey, Peter; Munakata, Meguma; Russell, Claire E.; Walton, Paul H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4251
• a: 10.814 ± 0.004 Å
• b: 15.523 ± 0.004 Å
• c: 26.746 ± 0.007 Å
• α: 86.86 ± 0.03°
• β: 100.39 ± 0.02°
• γ: 100.91 ± 0.02°
• Cell volume: 4335 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.088
• Goodness-of-fit parameter for significantly intense reflections: 1.0188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No