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Information card for entry 4320362
Preview
| Coordinates | 4320362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H26 Cl4 Mn4 O15 P2 S2 |
|---|---|
| Calculated formula | C33 H26 Cl4 Mn4 O15 P2 S2 |
| SMILES | c1(ccccc1)[P](C)(C)[Mn]([S]1[Mn]23(C#[O])(C#[O])(C(=O)[Mn]13([S]2[Mn]([P](c1ccccc1)(C)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].C(Cl)Cl.C(Cl)Cl |
| Title of publication | Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl |
| Authors of publication | Richard D. Adams; O-Sung Kwon; Mark D. Smith |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5322 - 5323 |
| a | 27.827 ± 0.002 Å |
| b | 33.959 ± 0.003 Å |
| c | 9.4488 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8928.9 ± 1.2 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4320362.cif |
| 179306 | 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 4/32/03. |
4320362.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320362.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320362.cif |
| 17266 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320362 via cif-deposit CGI script. |
4320362.cif |
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