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Information card for entry 4075694
Preview
| Coordinates | 4075694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H42 Cl4 P2 Pd |
|---|---|
| Calculated formula | C31 H42 Cl4 P2 Pd |
| SMILES | [Pd]1([P]2(Cc3c(c4c(C[P]51C1CCCC5CCC1)cccc4)cccc3)C1CCCC2CCC1)(Cl)Cl.C(Cl)Cl |
| Title of publication | Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue |
| Authors of publication | Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 3 |
| Pages of publication | 335 |
| a | 16.725 ± 0.002 Å |
| b | 11.2189 ± 0.0019 Å |
| c | 17.095 ± 0.003 Å |
| α | 90° |
| β | 102.016 ± 0.015° |
| γ | 90° |
| Cell volume | 3137.4 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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