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Information card for entry 4324949
Preview
Coordinates | 4324949.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(8-diphenylphosphinoquinoline)copper(I) tetrafluoroborate |
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Formula | C42 H32 B Cu F4 N2 P2 |
Calculated formula | C42 H32 B Cu F4 N2 P2 |
SMILES | [Cu]12([P](c3cccc4ccc[n]1c34)(c1ccccc1)c1ccccc1)[P](c1cccc3ccc[n]2c13)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Orange and Yellow Crystals of Copper(I) Complexes Bearing 8-(Diphenylphosphino)quinoline: A Pair of Distortion Isomers of an Intrinsic Tetrahedral Complex |
Authors of publication | Takayoshi Suzuki; Hiroshi Yamaguchi; Akira Hashimoto; Koichi Nozaki; Mototsugu Doi; Naoya Inazumi; Noriaki Ikeda; Satoshi Kawata; Masaaki Kojima; Hideo D. Takagi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 3981 - 3987 |
a | 8.6882 ± 0.0005 Å |
b | 12.207 ± 0.0006 Å |
c | 17.3712 ± 0.0009 Å |
α | 88.981 ± 0.001° |
β | 80.862 ± 0.002° |
γ | 79.761 ± 0.001° |
Cell volume | 1789.88 ± 0.16 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1428 |
Weighted residual factors for all reflections included in the refinement | 0.1602 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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