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Information card for entry 4069867
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Coordinates | 4069867.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3,3-dimethyl-1,2-diene-carbene mono-nitrosyl bis-tricyclohexylphosphine rhenium bromo fluoride |
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Formula | C53 H86 Br F N O P2 Re |
Calculated formula | C53 H86 Br F N O P2 Re |
Title of publication | From Alkynes to Carbenes Mediated by [Re(Br)(H)(NO)(PR3)2] (R = Cy,iPr) Complexes |
Authors of publication | Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 16 |
Pages of publication | 4670 |
a | 13.5086 ± 0.0001 Å |
b | 21.8882 ± 0.0001 Å |
c | 18.4925 ± 0.0001 Å |
α | 90° |
β | 107.488 ± 0.001° |
γ | 90° |
Cell volume | 5215.12 ± 0.06 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0432 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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