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Information card for entry 7708421
Preview
| Coordinates | 7708421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H39 Br Cl3 Fe N4 P Pd |
|---|---|
| Calculated formula | C37 H39 Br Cl3 Fe N4 P Pd |
| Title of publication | The protonation state governs the coordination of phosphinoferrocene guanidines |
| Authors of publication | Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 11.4217 ± 0.0005 Å |
| b | 12.2753 ± 0.0005 Å |
| c | 13.582 ± 0.0006 Å |
| α | 88.887 ± 0.001° |
| β | 84.124 ± 0.002° |
| γ | 86.811 ± 0.001° |
| Cell volume | 1891.14 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0259 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269300 (current) | 2021-09-25 | cif/ Adding structures of 7708412, 7708413, 7708414, 7708415, 7708416, 7708417, 7708418, 7708419, 7708420, 7708421, 7708422, 7708423, 7708424, 7708425, 7708426 via cif-deposit CGI script. |
7708421.cif |
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Users of the data should acknowledge the original authors of the
structural data.