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Information card for entry 4065777
Preview
Coordinates | 4065777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 Cl2 P3 Re |
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Calculated formula | C32 H40 Cl2 P3 Re |
SMILES | [Re](Cl)(Cl)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)#CCc1ccccc1 |
Title of publication | Rhenium Carbyne and η2-Vinyl Complexes from One-Pot Reactions of ReH5(PMe2Ph)3with Terminal Alkynes |
Authors of publication | Chen, Jiangxi; He, Guomei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 12 |
Pages of publication | 2693 |
a | 8.403 ± 0.004 Å |
b | 23.344 ± 0.012 Å |
c | 16.545 ± 0.009 Å |
α | 90° |
β | 96.283 ± 0.009° |
γ | 90° |
Cell volume | 3226 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0368 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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