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Information card for entry 4342238
Preview
| Coordinates | 4342238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H44 O10 Ru2 |
|---|---|
| Calculated formula | C40 H44 O10 Ru2 |
| SMILES | C1(c2cc(ccc2)C)=[O][Ru]234([O]=C(c5cc(ccc5)C)O[Ru]4(O1)([O]=C(c1cc(C)ccc1)O2)([O]=C(O3)c1cccc(C)c1)[O]1CCCC1)[O]1CCCC1 |
| Title of publication | Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-). |
| Authors of publication | Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1518 - 1527 |
| a | 8.8854 ± 0.0011 Å |
| b | 19.858 ± 0.003 Å |
| c | 11.106 ± 0.002 Å |
| α | 90° |
| β | 102.438 ± 0.008° |
| γ | 90° |
| Cell volume | 1913.6 ± 0.5 Å3 |
| Cell temperature | 103 K |
| Ambient diffraction temperature | 103 K |
| Number of distinct elements | 4 |
| 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342238.cif |
| 179525 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342238.cif |
| 132815 | 2015-03-04 | cif/ Updating files of 4342238, 4342239, 4342240, 4342241, 4342242, 4342243, 4342244, 4342245, 4342246, 4342247, 4342248 Original log message: Adding full bibliography for 4342238--4342248.cif. |
4342238.cif |
| 130448 | 2015-02-04 | cif/ Adding structures of 4342238 via cif-deposit CGI script. |
4342238.cif |
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Users of the data should acknowledge the original authors of the
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