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Information card for entry 8105018
Preview
| Coordinates | 8105018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 Br2 N2 O7 Zn |
|---|---|
| Calculated formula | C14 H16 Br2 N2 O7 Zn |
| SMILES | Brc1ccc2[n]([Zn]3(OC2=O)(OC(=O)c2[n]3c(c(Br)cc2)C)[OH2])c1C.O.O |
| Title of publication | Crystal structure of aqua-bis(5-bromo-6-methyl-picolinato-κ2N,O)zinc(II) dihydrate, C14H16Br2N2O7Zn |
| Authors of publication | Li, Jun-Xia; Du, Zhong-Xiang; Bai, Ruo-Fei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 63 - 65 |
| a | 15.43 ± 0.0003 Å |
| b | 10.6264 ± 0.0002 Å |
| c | 11.4638 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1879.67 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274320 (current) | 2022-04-04 | cif/ Adding structures of 8105018 via cif-deposit CGI script. |
8105018.cif |
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Users of the data should acknowledge the original authors of the
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