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Information card for entry 7703684
Preview
| Coordinates | 7703684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H62 B2 N O2 P2 |
|---|---|
| Calculated formula | C30 H62 B2 N O2 P2 |
| Title of publication | Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands. |
| Authors of publication | Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 7 |
| Pages of publication | 2077 - 2086 |
| a | 25.6216 ± 0.0004 Å |
| b | 7.714 ± 0.0001 Å |
| c | 35.6578 ± 0.0006 Å |
| α | 90° |
| β | 102.897 ± 0.002° |
| γ | 90° |
| Cell volume | 6869.8 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703684.cif |
| 248777 | 2020-03-04 | cif/ Adding structures of 7703683, 7703684, 7703685, 7703686, 7703687 via cif-deposit CGI script. |
7703684.cif |
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Users of the data should acknowledge the original authors of the
structural data.