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Information card for entry 8106649
Preview
| Coordinates | 8106649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Cu2 N6 O9 |
|---|---|
| Calculated formula | C19 H16 Cu2 N6 O9 |
| Title of publication | Crystal structure of catena-poly[aqua-(μ3-1,3,5-benzenetricarboxylato-κ3 O:O′:O′′)-[μ3hydroxy-(1,3-di-(μ2-1,2,4-triazole-4-yl)benzoato-κ2 N:N′)copper(II)], C19H16Cu2N6O9 |
| Authors of publication | Miao, Shao-Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 5 |
| Pages of publication | 707 - 709 |
| a | 7.9182 ± 0.0008 Å |
| b | 11.7533 ± 0.0012 Å |
| c | 22.7024 ± 0.0019 Å |
| α | 90° |
| β | 107.436 ± 0.003° |
| γ | 90° |
| Cell volume | 2015.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280728 (current) | 2023-02-01 | cif/ Adding structures of 8106649 via cif-deposit CGI script. |
8106649.cif |
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Users of the data should acknowledge the original authors of the
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