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Information card for entry 8105555
Preview
| Coordinates | 8105555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 Cu N6 O6 |
|---|---|
| Calculated formula | C18 H16 Cu N6 O6 |
| Title of publication | Crystal structure of catena-poly[aqua-bis(formato-κ1 O)-(μ2-1,1′-(oxybis(1,4-phenylene))-bis(1H-1,2,4-triazole)-κ2 N:N′)copper(II)]hydrate, C18H16CuN6O6 |
| Authors of publication | Li, Bo; Shi, Zhen-Zhen; Xing, Xiao-Jing; Fan, Hui-Tao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 101 - 102 |
| a | 13.669 ± 0.006 Å |
| b | 11.311 ± 0.005 Å |
| c | 12.763 ± 0.006 Å |
| α | 90° |
| β | 93.115 ± 0.007° |
| γ | 90° |
| Cell volume | 1970.4 ± 1.5 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276381 (current) | 2022-06-29 | cif/ Adding structures of 8105555 via cif-deposit CGI script. |
8105555.cif |
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Users of the data should acknowledge the original authors of the
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