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Information card for entry 8104800
Preview
| Coordinates | 8104800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 Cd N5 O2 S2 |
|---|---|
| Calculated formula | C15 H17 Cd N5 O2 S2 |
| Title of publication | Crystal structure of catena-poly[bis(μ 2-thiocyanato-κ2 N:S)-(2-(5-methyl-1H-pyrazol-3-yl)pyridine-κ2 N,N′)cadmium(II)]–dioxane (1/1), C15H17CdN5O2S2 |
| Authors of publication | Xu, Qin-Juan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 683 - 684 |
| a | 9.6685 ± 0.0004 Å |
| b | 10.4511 ± 0.0004 Å |
| c | 11.284 ± 0.0005 Å |
| α | 100.763 ± 0.002° |
| β | 114.948 ± 0.002° |
| γ | 96.816 ± 0.002° |
| Cell volume | 990.36 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273800 (current) | 2022-03-18 | cif/ Adding structures of 8104800 via cif-deposit CGI script. |
8104800.cif |
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Users of the data should acknowledge the original authors of the
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