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Information card for entry 7043001
Preview
| Coordinates | 7043001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H35 Cr N O3 Pd |
|---|---|
| Calculated formula | C32 H27 Cr N O3 Pd |
| Title of publication | Trans-Cis C-Pd-C Rearrangement in Hemichelates |
| Authors of publication | Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.275 ± 0.001 Å |
| b | 20.459 ± 0.001 Å |
| c | 12.392 ± 0.001 Å |
| α | 90° |
| β | 91.707 ± 0.001° |
| γ | 90° |
| Cell volume | 3110.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196777 (current) | 2017-05-19 | cif/ Adding structures of 7042999, 7043000, 7043001, 7043002, 7043003, 7043004, 7043005, 7043006, 7043007, 7043008 via cif-deposit CGI script. |
7043001.cif |
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Users of the data should acknowledge the original authors of the
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