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Information card for entry 7048525
Preview
| Coordinates | 7048525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H30 B0.7 Cl1.3 F2.8 N2 P2 Pd |
|---|---|
| Calculated formula | C30 H30 B0.7 Cl1.3 F2.8 N2 P2 Pd |
| Title of publication | Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings. |
| Authors of publication | Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 21 |
| Pages of publication | 7203 - 7210 |
| a | 9.4114 ± 0.0014 Å |
| b | 12.154 ± 0.002 Å |
| c | 15.368 ± 0.002 Å |
| α | 70.883 ± 0.008° |
| β | 88.024 ± 0.008° |
| γ | 71.058 ± 0.007° |
| Cell volume | 1565.9 ± 0.4 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048525.cif |
| 224456 | 2019-11-08 | cif/ Updating files of 7048523, 7048524, 7048525, 7048526 Original log message: Adding full bibliography for 7048523--7048526.cif. |
7048525.cif |
| 212958 | 2019-01-11 | cif/ Adding structures of 7048523, 7048524, 7048525, 7048526 via cif-deposit CGI script. |
7048525.cif |
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Users of the data should acknowledge the original authors of the
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