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Information card for entry 7712536
Preview
| Coordinates | 7712536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 O Se0.5 |
|---|---|
| Calculated formula | C11 H13 O Se0.5 |
| Title of publication | Palladium complex of macrocyclic selenium ligand: Catalyst for dehydroxymethylation of dihydroxy compounds |
| Authors of publication | Joshi, Hemant; Kumar, Sunil; Singh, Sohan; Mahala, Suman; Janjani, Prachi; Rajagopala Reddy, S.; Rom, Tanmay; Paul, Avijit; Roy, Partha |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 18.412 ± 0.002 Å |
| b | 23.1159 ± 0.0013 Å |
| c | 4.717 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2007.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1345 |
| Residual factor for significantly intense reflections | 0.0999 |
| Weighted residual factors for significantly intense reflections | 0.2731 |
| Weighted residual factors for all reflections included in the refinement | 0.3115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281753 (current) | 2023-03-09 | cif/ Adding structures of 7712536, 7712537 via cif-deposit CGI script. |
7712536.cif |
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Users of the data should acknowledge the original authors of the
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