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Information card for entry 4109198
Preview
| Coordinates | 4109198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H38 Br6 O4 P2 Re6 S6 |
|---|---|
| Calculated formula | C36 H30 Br6 O4 P2 Re6 S6 |
| SMILES | [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Re]1234567[S]8[Re]9%10%11%12%132(Br)[Br]1[Re]12%14%157%13([S]7[Re]%13%16%17%11%14([P](c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11)([S]91)[S]%10[Re]1968%12%17([S]3[Re]5%157%169([S]42)(Br)[Br]%131)Br)Br.O.O.O.O |
| 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 | 10.2225 ± 0.0006 Å |
| b | 11.5987 ± 0.0007 Å |
| c | 12.5588 ± 0.0006 Å |
| α | 83.651 ± 0.002° |
| β | 74.953 ± 0.002° |
| γ | 75.664 ± 0.002° |
| Cell volume | 1391.53 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1625 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178837 (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 4/10/91. |
4109198.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109198.cif |
| 57953 | 2012-05-23 | cif/ Adding structures of 4109198 via cif-deposit CGI script. |
4109198.cif |
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Users of the data should acknowledge the original authors of the
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