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Information card for entry 7033435
Preview
| Coordinates | 7033435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H28 Mn4 O12 S4 |
|---|---|
| Calculated formula | C40 H28 Mn4 O12 S4 |
| SMILES | [Mn]12(S3(c4ccc(cc4)C)[Mn]4(S1(c1ccc(cc1)C)[Mn]1(S4(c4ccc(cc4)C)[Mn]3(S21c1ccc(cc1)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2. |
| Authors of publication | Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 7 |
| Pages of publication | 3020 - 3033 |
| a | 19.3656 ± 0.0002 Å |
| b | 15.9446 ± 0.0001 Å |
| c | 14.0502 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4338.38 ± 0.06 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0245 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180040 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/34. |
7033435.cif |
| 133283 | 2015-03-06 | cif/ Updating files of 7033427, 7033428, 7033429, 7033430, 7033431, 7033432, 7033433, 7033434, 7033435, 7033436, 7033437, 7033438, 7033439, 7033440 Original log message: Adding full bibliography for 7033427--7033440.cif. |
7033435.cif |
| 128863 | 2014-12-20 | cif/ Adding structures of 7033427, 7033428, 7033429, 7033430, 7033431, 7033432, 7033433, 7033434, 7033435, 7033436, 7033437, 7033438, 7033439, 7033440 via cif-deposit CGI script. |
7033435.cif |
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Users of the data should acknowledge the original authors of the
structural data.