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Information card for entry 7127615
Preview
| Coordinates | 7127615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H104 K2 N4 O13 P2 |
|---|---|
| Calculated formula | C56 H104 K2 N4 O13 P2 |
| Title of publication | Low-spin 1,1'-diphosphametallocenates of chromium and iron. |
| Authors of publication | Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 595 - 598 |
| a | 12.7189 ± 0.0008 Å |
| b | 15.9437 ± 0.001 Å |
| c | 17.8937 ± 0.0012 Å |
| α | 64.066 ± 0.006° |
| β | 85.655 ± 0.005° |
| γ | 86.321 ± 0.005° |
| Cell volume | 3251.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 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 | 0.1063 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7127615.cif |
| 261536 | 2021-02-05 | cif/ Updating files of 7127612, 7127613, 7127614, 7127615, 7127616, 7127617, 7127618, 7127619 Original log message: Adding full bibliography for 7127612--7127619.cif. |
7127615.cif |
| 259968 | 2020-12-19 | cif/ Adding structures of 7127612, 7127613, 7127614, 7127615, 7127616, 7127617, 7127618, 7127619 via cif-deposit CGI script. |
7127615.cif |
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Users of the data should acknowledge the original authors of the
structural data.