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Information card for entry 4309421
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| Coordinates | 4309421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Re(DPYM)nitrosyl |
|---|---|
| Chemical name | Bromo-dicarbonyl-nitrosyl-bromide-di(2-pyridyl)methane-rhenium |
| Formula | C16 H16 Br2 N3 O5 Re |
| Calculated formula | C16 H16 Br2 N3 O5 Re |
| SMILES | [Re]1(C#[O])(C#[O])([n]2ccccc2Cc2cccc[n]12)(N=O)Br.C(=O)(C)C.O.[Br-] |
| 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 | 9.8236 ± 0.0008 Å |
| b | 10.0949 ± 0.0008 Å |
| c | 12.5346 ± 0.001 Å |
| α | 108.679 ± 0.009° |
| β | 111.992 ± 0.009° |
| γ | 95.426 ± 0.01° |
| Cell volume | 1058.82 ± 0.19 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.17 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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. |
4309421.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309421.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309421.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). |
4309421.cif |
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Users of the data should acknowledge the original authors of the
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