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Information card for entry 7012424
Preview
| Coordinates | 7012424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H13 Fe4 O11 Sb Se |
|---|---|
| Calculated formula | C20 H13 Fe4 O11 Sb Se |
| SMILES | [Sb]12([Fe]34([Se]([Fe]13(C#[O])(C#[O])C#[O])[Fe]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Fe]1234([c]5([cH]1[cH]2[cH]3[cH]45)C(C)(C)C)(C#[O])C#[O] |
| Title of publication | Reactions of [Fe3(µ3-Q)(CO)9]2‒ (Q = Se, Te) with organic and organometallic dihalides of group 15 elements ‒ an approach to functionalised clusters |
| Authors of publication | Konchenko, Sergei N.; Pushkarevsky, Nikolai A.; Virovets, Alexander V.; Scheer, Manfred |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 581 |
| a | 9.819 ± 0.002 Å |
| b | 18.667 ± 0.005 Å |
| c | 14.502 ± 0.003 Å |
| α | 90° |
| β | 93.85 ± 0.02° |
| γ | 90° |
| Cell volume | 2652.1 ± 1 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012424.cif |
| 179828 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/24. |
7012424.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012424.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012424.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012424.cif |
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