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Information card for entry 4109203
Preview
| Coordinates | 4109203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H30 Br6 P2 Re6 S6 |
|---|---|
| Calculated formula | C36 H30 Br6 P2 Re6 S6 |
| SMILES | [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Re]1234567[S]8[Re]9%10%11%12%135([S]1[Re]15%14%1549([S]2[Re]249%1665([S]3[Re]3578%129([P](c6ccccc6)(c6ccccc6)c6ccccc6)[S]%10[Re]%13%15%165([Br]12)([S]43)(Br)[Br]%11%14)Br)Br)Br |
| Title of publication | Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes |
| Authors of publication | Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 3714 - 3721 |
| a | 10.302 ± 0.002 Å |
| b | 20.292 ± 0.004 Å |
| c | 12.108 ± 0.002 Å |
| α | 90° |
| β | 105.38 ± 0.03° |
| γ | 90° |
| Cell volume | 2440.5 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.2121 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.1575 |
| Weighted residual factors for all reflections included in the refinement | 0.1934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.789 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178838 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92. |
4109203.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109203.cif |
| 57958 | 2012-05-23 | cif/ Adding structures of 4109203 via cif-deposit CGI script. |
4109203.cif |
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Users of the data should acknowledge the original authors of the
structural data.