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Information card for entry 2103865
Preview
| Coordinates | 2103865.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | manganese carbonyl |
|---|---|
| Formula | C10 Mn2 O10 |
| Calculated formula | C10 Mn2 O10 |
| SMILES | [Mn]([Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study |
| Authors of publication | Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 2 |
| Pages of publication | 234 - 247 |
| a | 14.1257 ± 0.0002 Å |
| b | 6.8799 ± 0.0001 Å |
| c | 14.3121 ± 0.0003 Å |
| α | 90° |
| β | 105.078 ± 0.001° |
| γ | 90° |
| Cell volume | 1343.01 ± 0.04 Å3 |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0232 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2103865.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2103865.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2103865.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. |
2103865.cif |
| 397 | 2008-06-20 | Adding new CIF files deposited from Acta-Cryst-B-2001-2003/. |
2103865.cif |
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Users of the data should acknowledge the original authors of the
structural data.