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Information card for entry 4512925
Preview
| Coordinates | 4512925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 B2 Cl4 N2 O4 Pd |
|---|---|
| Calculated formula | C10 H14 B2 Cl4 N2 O4 Pd |
| SMILES | B(c1ccc[nH+]c1)(O)O.Cl[Pd](Cl)([Cl-])[Cl-].B(c1ccc[nH+]c1)(O)O |
| Title of publication | Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks |
| Authors of publication | Yahsi, Yasemin; Gungor, Elif; Kara, Hulya |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 6 |
| Pages of publication | 2652 |
| a | 6.926 ± 0.0014 Å |
| b | 7.9568 ± 0.0016 Å |
| c | 8.297 ± 0.0017 Å |
| α | 70.25 ± 0.03° |
| β | 79.53 ± 0.03° |
| γ | 83.22 ± 0.03° |
| Cell volume | 422.38 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
| 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. |
4512925.cif |
| 138053 | 2015-06-05 | cif/ Updating files of 4512919, 4512920, 4512921, 4512922, 4512923, 4512924, 4512925 Original log message: Adding full bibliography for 4512919--4512925.cif. |
4512925.cif |
| 136517 | 2015-05-15 | cif/ Adding structures of 4512919, 4512920, 4512921, 4512922, 4512923, 4512924, 4512925 via cif-deposit CGI script. |
4512925.cif |
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Users of the data should acknowledge the original authors of the
structural data.