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Information card for entry 4309418
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| Coordinates | 4309418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Re(DPYM)tricarbonyl |
|---|---|
| Chemical name | Tricarbonyl-bromide-di(2-pyridyl)methane-rhenium |
| Formula | C14 H10 Br N2 O3 Re |
| Calculated formula | C14 H10 Br N2 O3 Re |
| SMILES | [Re]1(Br)([n]2ccccc2Cc2[n]1cccc2)(C#[O])(C#[O])C#[O] |
| Title of publication | Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media |
| Authors of publication | Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6082 - 6091 |
| a | 12.7491 ± 0.0012 Å |
| b | 13.3015 ± 0.0013 Å |
| c | 9.0112 ± 0.0009 Å |
| α | 90° |
| β | 107.195 ± 0.002° |
| γ | 90° |
| Cell volume | 1459.8 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4309418.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309418.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309418.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309418.cif |
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Users of the data should acknowledge the original authors of the
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