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Information card for entry 7214123
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Coordinates | 7214123.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | lat-2 |
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Chemical name | lat-cyclopentadienyldibromodicarbonyl Re(III) |
Formula | C7 H5 Br2 O2 Re |
Calculated formula | C7 H5 Br2 O2 Re |
SMILES | C(#[O])[Re]1234([cH]5[cH]1[cH]2[cH]4[cH]35)(Br)(C#[O])Br |
Title of publication | A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes |
Authors of publication | Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav |
Journal of publication | Green Chemistry |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 3 |
Pages of publication | 1087 |
a | 6.34 ± 0.0011 Å |
b | 12.504 ± 0.002 Å |
c | 6.4937 ± 0.0011 Å |
α | 90° |
β | 109.161 ± 0.002° |
γ | 90° |
Cell volume | 486.27 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.1058 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7214123.html
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