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Information card for entry 4327435
Preview
| Coordinates | 4327435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Co O S4 W3 |
|---|---|
| Calculated formula | C19 H21 Co O S4 W3 |
| SMILES | [W]123456789([W]%10%11%12%13%14%15%16%17([W]%18%19%20%21%22%231([Co]2%10([S]4%12)([S]5%18)([S]%13%19)C#[O])([S]3%11)[c]1([cH]%23[cH]%22[cH]%21[cH]%201)C)[c]1([cH]%14[cH]%15[cH]%16[cH]%171)C)[c]1([cH]6[cH]7[cH]8[cH]91)C |
| Title of publication | Synthesis of the New, Cubane-like W3S4Co Cluster Core. Completion of the Homologous Series [(η5-Cp')3M3S4Co(CO)] (M = Cr, Mo, W) |
| Authors of publication | Konrad Herbst; Lutz Dahlenburg; Michael Brorson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3327 - 3328 |
| a | 8.15 ± 0.002 Å |
| b | 18.309 ± 0.003 Å |
| c | 15.111 ± 0.004 Å |
| α | 90° |
| β | 91.85 ± 0.02° |
| γ | 90° |
| Cell volume | 2253.7 ± 0.9 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 179377 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74. |
4327435.cif |
| 132134 | 2015-02-21 | cif/ (antanas@koala.ibt.lt) Changing various placeholders in '_chemical_name_systematic' tag value into '?' for CIFs 2009056, 4030135, 4327435, 4069878, 7006563, 7031531. |
4327435.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327435.cif |
| 61206 | 2012-06-25 | cif/ Adding structures of 4327435 via cif-deposit CGI script. |
4327435.cif |
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Users of the data should acknowledge the original authors of the
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