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Information card for entry 4063301
Preview
| Coordinates | 4063301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H40 Mo O3 P2 S3 W |
|---|---|
| Calculated formula | C38 H40 Mo O3 P2 S3 W |
| SMILES | [W]1234567([Mo]([S]1CC)([S]2CC)([P]3(c1ccccc1)c1ccccc1)([P](SCC)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71 |
| Title of publication | Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5 |
| Authors of publication | Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 2 |
| Pages of publication | 440 - 446 |
| a | 9.598 ± 0.002 Å |
| b | 12.536 ± 0.004 Å |
| c | 17.096 ± 0.005 Å |
| α | 104.7 ± 0.02° |
| β | 90.86 ± 0.02° |
| γ | 106.21 ± 0.02° |
| Cell volume | 1902.3 ± 0.9 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 | 0.0713 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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 |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4063301.cif |
| 277846 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4063301.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063301.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063301.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063301.cif |
| 38 | 2008-01-28 | Adding CIF files from the xyz-extraction/deposit/deposition-2008.01.28/cif/ directory. (Chemistry_Letters-2005-issues10-12 and Organometallics-2006-2007-issue2 ) |
4063301.cif |
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Users of the data should acknowledge the original authors of the
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