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Information card for entry 2237895
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| Coordinates | 2237895.cif |
|---|---|
| Structure factors | 2237895.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraphenylphosphonium [μ~3~-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)] |
|---|---|
| Formula | C43 H27 Fe3 O12 P Te |
| Calculated formula | C43 H27 Fe3 O12 P Te |
| SMILES | [Te]([Fe](C#[O])(C#[O])(C#[O])C#[O])([Fe](C#[O])(C#[O])(C#[O])C#[O])([Fe](C#[O])(C#[O])(C#[O])C#[O])c1ccc(cc1)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Tetraphenylphosphonium [μ~3~-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)] |
| Authors of publication | Li, Yu-Long; Xie, Bin; Zou, Li-Ke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m328 |
| a | 12.367 ± 0.007 Å |
| b | 12.558 ± 0.006 Å |
| c | 13.626 ± 0.007 Å |
| α | 89.802 ± 0.017° |
| β | 87.964 ± 0.013° |
| γ | 86.312 ± 0.018° |
| Cell volume | 2110.5 ± 1.9 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181300 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/78. |
2237895.cif 2237895.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237895.cif 2237895.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237895.cif 2237895.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237895.cif 2237895.hkl |
| 86576 | 2013-07-11 | cif/ Adding structures of 2237895 via cif-deposit CGI script. |
2237895.cif |
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Users of the data should acknowledge the original authors of the
structural data.