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Information card for entry 7022869
Preview
| Coordinates | 7022869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H43 Br P2 Pd |
|---|---|
| Calculated formula | C24 H43 Br P2 Pd |
| SMILES | c12c3cccc2C[P]([Pd]1([P](C3)(C(C)(C)C)C(C)(C)C)Br)(C(C)(C)C)C(C)(C)C |
| Title of publication | Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers. |
| Authors of publication | Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 23 |
| Pages of publication | 8484 - 8491 |
| a | 16.4782 ± 0.0002 Å |
| b | 16.4782 ± 0.0002 Å |
| c | 19.2576 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4528.48 ± 0.1 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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 |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7022869.cif |
| 90364 | 2013-11-17 | cif/ Adding structures of 7022866, 7022867, 7022868, 7022869, 7022870, 7022871, 7022872, 7022873, 7022874, 7022875, 7022876, 7022877, 7022878, 7022879, 7022880, 7022881, 7022882, 7022883, 7022884, 7022885, 7022886, 7022887 via cif-deposit CGI script. |
7022869.cif |
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Users of the data should acknowledge the original authors of the
structural data.