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Information card for entry 4035302
Preview
| Coordinates | 4035302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H105 N4 O4 Pd2 |
|---|---|
| Calculated formula | C91 H105 N4 O4 Pd2 |
| Title of publication | Halo-Bridged Abnormal NHC Palladium(II) Dimer for Catalytic Dehydrogenative Cross-Coupling Reactions of Heteroarenes. |
| Authors of publication | P, Sreejyothi; Sau, Samaresh Chandra; Vardhanapu, Pavan K.; Mandal, Swadhin K. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 16 |
| Pages of publication | 9403 - 9411 |
| a | 15.9861 ± 0.0005 Å |
| b | 22.1765 ± 0.0007 Å |
| c | 22.9883 ± 0.0008 Å |
| α | 90° |
| β | 98.546 ± 0.003° |
| γ | 90° |
| Cell volume | 8059.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1605 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.2138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226766 (current) | 2019-11-11 | cif/ Adding structures of 4035302 via cif-deposit CGI script. |
4035302.cif |
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Users of the data should acknowledge the original authors of the
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