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Information card for entry 4347972
Preview
| Coordinates | 4347972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H46 Cu2 F9 N7 O13 S4 |
|---|---|
| Calculated formula | C42 H46 Cu2 F9 N7 O13 S4 |
| Title of publication | Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand. |
| Authors of publication | Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 12 |
| Pages of publication | 6208 - 6217 |
| a | 12.1289 ± 0.0003 Å |
| b | 19.7968 ± 0.0014 Å |
| c | 22.255 ± 0.0011 Å |
| α | 90° |
| β | 101.161 ± 0.004° |
| γ | 90° |
| Cell volume | 5242.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.1068 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232601 (current) | 2019-11-23 | cif/ Adding structures of 4347972 via cif-deposit CGI script. |
4347972.cif |
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Users of the data should acknowledge the original authors of the
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