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Information card for entry 7010107
Preview
Coordinates | 7010107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H30 Cl2 Co2 O7 P2 S3 |
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Calculated formula | C36 H30 Cl2 Co2 O7 P2 S3 |
SMILES | [Co]123([Co]4([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]2C(=C(S4)C(=O)OC)C(=O)OC)(C#[O])C3=S)(C#[O])C#[O].ClCCl |
Title of publication | A novel route to dithiolenes from 1,3-dithiole-2-thiones at a dicobalt centre |
Authors of publication | Adams, Harry; Guio, Laurence V. Y.; Morris, Michael J.; Pratt, A. James |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 20 |
Pages of publication | 3489 |
a | 14.377 ± 0.004 Å |
b | 19.726 ± 0.006 Å |
c | 14.775 ± 0.004 Å |
α | 90° |
β | 111.669 ± 0.009° |
γ | 90° |
Cell volume | 3894.1 ± 1.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1479 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1275 |
Weighted residual factors for all reflections included in the refinement | 0.1504 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.846 |
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/7010107.html
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Users of the data should acknowledge the original authors of the
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