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Information card for entry 4318695
Preview
| Coordinates | 4318695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H22 O11 Ru5 Sn |
|---|---|
| Calculated formula | C36 H22 O11 Ru5 Sn |
| SMILES | [Ru]123456([Ru]78([Ru]91([H]6)([Ru]16%10%11%12%132([Ru]38([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)([C]4791)(C5=O)(C#[O])C#[O])[cH]1[cH]%13[cH]%12[cH]%11[cH]%10[cH]16)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | High Nuclearity Ruthenium-Tin Clusters from the Reactions of Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes |
| Authors of publication | Richard D. Adams; Burjor Captain; Wei Fu; Mark D. Smith |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5593 - 5601 |
| a | 12.3859 ± 0.0007 Å |
| b | 18.8897 ± 0.0011 Å |
| c | 17.2928 ± 0.001 Å |
| α | 90° |
| β | 106.643 ± 0.001° |
| γ | 90° |
| Cell volume | 3876.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0272 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179266 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/86. |
4318695.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318695.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318695.cif |
| 15416 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318695 via cif-deposit CGI script. |
4318695.cif |
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Users of the data should acknowledge the original authors of the
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