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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4109200.html
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Users of the data should acknowledge the original authors of the
structural data.