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Information card for entry 4513650
Preview
| Coordinates | 4513650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cis-dibromido{(R)-2,2'-diamino-1,1'-binaphthaline}palladium(II) |
|---|---|
| Formula | C20 H16 Br2 N2 Pd |
| Calculated formula | C20 H16 Br2 N2 Pd |
| SMILES | Br[Pd]1(Br)[NH2]c2c(c3ccccc3cc2)c2c(ccc3ccccc23)[NH2]1 |
| Title of publication | One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System |
| Authors of publication | Böge, Matthias; Heck, Jürgen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5280 |
| a | 19.3363 ± 0.0007 Å |
| b | 7.5375 ± 0.0003 Å |
| c | 12.7658 ± 0.0005 Å |
| α | 90° |
| β | 97.841 ± 0.001° |
| γ | 90° |
| Cell volume | 1843.19 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0222 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.0378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194591 (current) | 2017-03-29 | cif/4/ (antanas@echidna.ibt.lt) Replacing the "’" substring with the "'" symbol in the _chemical_name_systematic data items value in entries 4086529, 4513649, 4513650, 4513651. |
4513650.cif |
| 176428 | 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. |
4513650.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4513650.cif |
| 170052 | 2015-11-06 | cif/ Updating files of 4513649, 4513650, 4513651, 4513652 Original log message: Adding full bibliography for 4513649--4513652.cif. |
4513650.cif |
| 159521 | 2015-10-02 | cif/ Adding structures of 4513649, 4513650, 4513651, 4513652 via cif-deposit CGI script. |
4513650.cif |
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Users of the data should acknowledge the original authors of the
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