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Information card for entry 7027742
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Coordinates | 7027742.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(triphenylphosphine)bis(pyridazine)copper(I) tetrafluoroborate |
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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 Å3 |
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 |
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