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Information card for entry 7055030
Preview
| Coordinates | 7055030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | compound-2 |
|---|---|
| Formula | C22 H20 Cu4 I4 N4 Se4 |
| Calculated formula | C22 H20 Cu4 I4 N4 Se4 |
| SMILES | c1cccc2[n]1[Cu]134[I]5[Cu]67([n]8c(cccc8)[Se]C[Se]27)[I][Cu]256[I]3[Cu]34([I]1)[n]1c(cccc1)[Se]C[Se]3c1cccc[n]21 |
| Title of publication | Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis |
| Authors of publication | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 7948 |
| a | 9.086 ± 0.0002 Å |
| b | 9.1684 ± 0.0002 Å |
| c | 10.5159 ± 0.0003 Å |
| α | 70.96 ± 0.001° |
| β | 88.276 ± 0.001° |
| γ | 77.37 ± 0.001° |
| Cell volume | 807.25 ± 0.03 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0243 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.0489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055030.cif |
| 162074 | 2015-10-09 | cif/ Updating files of 7055029, 7055030, 7055031, 7055032, 7055033, 7055034 Original log message: Adding full bibliography for 7055029--7055034.cif. |
7055030.cif |
| 152609 | 2015-07-29 | cif/ Adding structures of 7055029, 7055030, 7055031, 7055032, 7055033, 7055034 via cif-deposit CGI script. |
7055030.cif |
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Users of the data should acknowledge the original authors of the
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