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Information card for entry 4315348
Preview
| Coordinates | 4315348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | tSiP3(dmpm)Fe |
|---|---|
| Formula | C18 H47 Fe P5 Si |
| Calculated formula | C18 H47 Fe P5 Si |
| Title of publication | Synthesis and Characterization of Pentaphosphino Zero-Valent Iron Complexes and Their Corresponding Iron(II)-Chloride and -Hydride Complexes |
| Authors of publication | Kristen A. Thoreson; Angela D. Follett; Kristopher McNeill |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 3942 - 3949 |
| a | 13.515 ± 0.001 Å |
| b | 14.039 ± 0.001 Å |
| c | 15.15 ± 0.002 Å |
| α | 76.833 ± 0.002° |
| β | 77.26 ± 0.002° |
| γ | 87.623 ± 0.002° |
| Cell volume | 2729.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4315348.cif |
| 179233 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53. |
4315348.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315348.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315348.cif |
| 8503 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315348 via cif-deposit CGI script. |
4315348.cif |
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Users of the data should acknowledge the original authors of the
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