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Information card for entry 8104740
Preview
| Coordinates | 8104740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H8 Cu I N5 O5 |
|---|---|
| Calculated formula | C9 H8 Cu I N5 O5 |
| Title of publication | Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2 N:N′) copper(II)], C9H8N5O5CuI |
| Authors of publication | Lv, Benlian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 873 - 875 |
| a | 11.0801 ± 0.0004 Å |
| b | 6.8489 ± 0.0003 Å |
| c | 35.3975 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2686.19 ± 0.18 Å3 |
| Cell temperature | 291.66 ± 0.12 K |
| Ambient diffraction temperature | 291.66 ± 0.12 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.241 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273651 (current) | 2022-03-11 | cif/ Adding structures of 8104740 via cif-deposit CGI script. |
8104740.cif |
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Users of the data should acknowledge the original authors of the
structural data.