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Information card for entry 4304796
Preview
| Coordinates | 4304796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H52 Fe N P2 Si2 |
|---|---|
| Calculated formula | C22 H52 Fe N P2 Si2 |
| Title of publication | Influence of the d-Electron Count on CO Binding by Three-Coordinate [(tBu2PCH2SiMe2)2N]Fe, -Co, and -Ni |
| Authors of publication | Michael J. Ingleson; Benjamin C. Fullmer; Drew T. Buschhorn; Hongjun Fan; Maren Pink; John C. Huffman; Kenneth G. Caulton |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 407 - 409 |
| a | 11.174 ± 0.003 Å |
| b | 15.821 ± 0.005 Å |
| c | 16.895 ± 0.005 Å |
| α | 90° |
| β | 99.283 ± 0.009° |
| γ | 90° |
| Cell volume | 2947.6 ± 1.5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304796.cif |
| 179085 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47. |
4304796.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304796.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304796.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304796.cif |
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Users of the data should acknowledge the original authors of the
structural data.