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Information card for entry 2103866
Preview
| Coordinates | 2103866.cif |
|---|---|
| Structure factors | 2103866.hkl |
| Original IUCr paper | HTML |
| 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 | 0.0168 |
| Residual factor for significantly intense reflections | 0.0135 |
| Weighted residual factors for all reflections included in the refinement | 0.0157 |
| Goodness-of-fit parameter for significantly intense reflections | 2.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180898 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/38. |
2103866.cif 2103866.hkl |
| 176768 | 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. |
2103866.cif 2103866.hkl |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2103866.cif 2103866.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2103866.cif 2103866.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2103866.cif 2103866.hkl |
| 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. |
2103866.cif 2103866.hkl |
| 691 | 2009-05-03 | Depositing the first portion of the Fobs data CIFs. These are CIFs from the Acta Cryst. journals, where the correspondence of the coordinate CIF and the Fobs CIF could be unambiguously determined automatically. In these files, cell constatnts match exctely, being equal with the floating point '==' operator in Perl. For the future depositions, such requirement is too strict, since sometimes cell constants in the coordinate and the Fobs files differ by a rounding error. Thus, a small tollerance will have to be introduced into the COD Fobs deposition scripts. |
2103866.cif 2103866.hkl |
| 397 | 2008-06-20 | Adding new CIF files deposited from Acta-Cryst-B-2001-2003/. |
2103866.cif |
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Users of the data should acknowledge the original authors of the
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