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Information card for entry 4101600
Preview
| Coordinates | 4101600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H38 Mo O2 Rh2 S4 |
|---|---|
| Calculated formula | C34 H38 Mo O2 Rh2 S4 |
| SMILES | c12ccccc1[S]1[Mo]345(C#[O])(C#[O])([S]2[Rh]267814[c]1([c]2([c]6([c]7([c]81C)C)C)C)C)[S]1c2ccccc2[S]3[Rh]234651[c]1([c]2([c]3([c]4([c]61C)C)C)C)C |
| Title of publication | Two-Electron Reduction of a Rh-Mo-Rh Dithiolato Complex To Form a Triplet Ground State Associated with a Change in CO Coordination Mode |
| Authors of publication | Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Sugimoto, Manabu; Tsuneyuki, Shinji; Miyashita, Seiji; Kato, Tatsuhisa; Nishihara, Hiroshi |
| Journal of publication | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY |
| Year of publication | 2009 |
| Journal volume | 131 |
| Journal issue | 4 |
| Pages of publication | 1388 |
| a | 21.049 ± 0.005 Å |
| b | 14.373 ± 0.005 Å |
| c | 22.479 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6801 ± 3 Å3 |
| Cell temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178762 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/16. |
4101600.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101600.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101600.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. |
4101600.cif |
| 916 | 2009-12-07 | cif/4/ Adding data from JACS-2009_4/. |
4101600.cif |
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