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Information card for entry 1516666
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Coordinates | 1516666.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3c |
---|---|
Chemical name | iodo(pentacarbonyl)rhenium(I) |
Formula | C5 I O5 Re |
Calculated formula | C5 I O5 Re |
SMILES | [Re](I)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions |
Authors of publication | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 9 |
Pages of publication | 3576 |
a | 7.6549 ± 0.0007 Å |
b | 11.1028 ± 0.0011 Å |
c | 10.9893 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 933.99 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 63 |
Hermann-Mauguin space group symbol | C m c m |
Hall space group symbol | -C 2c 2 |
Residual factor for all reflections | 0.0167 |
Residual factor for significantly intense reflections | 0.0165 |
Weighted residual factors for significantly intense reflections | 0.0389 |
Weighted residual factors for all reflections included in the refinement | 0.039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1516666.html
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Users of the data should acknowledge the original authors of the
structural data.