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Information card for entry 4514098
Preview
| Coordinates | 4514098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bpy-PdCl2 |
|---|---|
| Chemical name | Bpy-PdCl2 |
| Formula | C10 H10 Cl2 N4 Pd |
| Calculated formula | C10 H10 Cl2 N4 Pd |
| SMILES | [Pd]1([n]2cc(N)ccc2c2[n]1cc(N)cc2)(Cl)Cl |
| Title of publication | Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis. |
| Authors of publication | Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 15 |
| Pages of publication | 13785 - 13792 |
| a | 10.0173 ± 0.0002 Å |
| b | 8.6586 ± 0.0002 Å |
| c | 13.7906 ± 0.0003 Å |
| α | 90° |
| β | 99.382 ± 0.002° |
| γ | 90° |
| Cell volume | 1180.14 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0337 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195913 (current) | 2017-05-03 | cif/ Adding structures of 4514098, 4514099 via cif-deposit CGI script. |
4514098.cif |
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Users of the data should acknowledge the original authors of the
structural data.