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Information card for entry 7132020
Preview
| Coordinates | 7132020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H46 Fe O2 P2 |
|---|---|
| Calculated formula | C25 H46 Fe O2 P2 |
| SMILES | [Fe]123456([P](CCC)(CCC)CC[P]1(CCC)CCC)OC(=O)C[c]16[c]4([c]2([c]3([c]51C)C)C)C |
| Title of publication | Cooperative Bond Activations by a Tucked-In Iron Complex |
| Authors of publication | Zurakowski, Joseph A.; Drover, Marcus W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 18.7645 ± 0.001 Å |
| b | 8.6734 ± 0.0004 Å |
| c | 16.7609 ± 0.0009 Å |
| α | 90° |
| β | 100.195 ± 0.002° |
| γ | 90° |
| Cell volume | 2684.8 ± 0.2 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285789 (current) | 2023-08-17 | cif/ Adding structures of 7132018, 7132019, 7132020, 7132021 via cif-deposit CGI script. |
7132020.cif |
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Users of the data should acknowledge the original authors of the
structural data.