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Information card for entry 4109200
Preview
| Coordinates | 4109200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H60 Br2 P4 Re6 Se8 |
|---|---|
| Calculated formula | C72 H60 Br2 P4 Re6 Se8 |
| SMILES | [P]([Re]1234567[Se]8[Re]9%10%11%12%132([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Re]2%14%15%16%17%18([P](c%19ccccc%19)(c%19ccccc%19)c%19ccccc%19)[Re]%19%20%21%221([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Re]3892(Br)([Se]%11%15)([Se]%17%21)[Se]7%22)[Re]4%10%14(Br)([Se]5%19)([Se]%16%20)([Se]6%12)[Se]%13%18)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 12.3444 ± 0.0002 Å |
| b | 16.2377 ± 0.0004 Å |
| c | 19.5427 ± 0.0004 Å |
| α | 90° |
| β | 102.103 ± 0.001° |
| γ | 90° |
| Cell volume | 3830.16 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0503 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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 |
|---|---|---|---|
| 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. |
4109200.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109200.cif |
| 57955 | 2012-05-23 | cif/ Adding structures of 4109200 via cif-deposit CGI script. |
4109200.cif |
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Users of the data should acknowledge the original authors of the
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