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Information card for entry 4300070
Preview
Coordinates | 4300070.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H46 Hg2 O22 P2 Re6 |
---|---|
Calculated formula | C71 H46 Hg2 O22 P2 Re6 |
SMILES | [C]12345[Re]67(C#[O])(C#[O])([Hg]89(OC(=[O]8)C)[Re]81(C#[O])(C#[O])(C#[O])[Re]12(C#[O])(C#[O])(C#[O])[Hg]2(OC(=[O]2)C)([Re]36(C#[O])(C#[O])(C#[O])[Re]491(C#[O])(C#[O])C#[O])[Re]578(C#[O])(C#[O])C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Carbidohexarhenate Cluster Cores Bicapped by Mercury with Acetate or Thiolate Ligands |
Authors of publication | Udo Brand; John R. Shapley |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 32 - 36 |
a | 12.4969 ± 0.0003 Å |
b | 12.8877 ± 0.0003 Å |
c | 13.407 ± 0.0003 Å |
α | 113.297 ± 0.001° |
β | 92.406 ± 0.001° |
γ | 110.78 ± 0.001° |
Cell volume | 1811.96 ± 0.08 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 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 | 0.0459 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for all reflections | 0.085 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Goodness-of-fit parameter for all reflections | 1.021 |
Goodness-of-fit parameter for significantly intense reflections | 1.011 |
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/4300070.html
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Users of the data should acknowledge the original authors of the
structural data.