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Information card for entry 8104976
Preview
| Coordinates | 8104976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cu N12 S2 |
|---|---|
| Calculated formula | C24 H18 Cu N12 S2 |
| Title of publication | Crystal structure of poly[bis(μ2-2,6-bis(1-imidazoly)pyridine-κ2 N,N′)-bis(thiocyanato-κ1 N)copper(II)] dithiocyanate, C24H18CuN12S2 |
| Authors of publication | Li, Lu; Duan, Huajian; Qian, Jun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 117 - 119 |
| a | 11.038 ± 0.002 Å |
| b | 8.9312 ± 0.0018 Å |
| c | 16.083 ± 0.005 Å |
| α | 90° |
| β | 125.66 ± 0.02° |
| γ | 90° |
| Cell volume | 1288.2 ± 0.6 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274170 (current) | 2022-03-31 | cif/ Adding structures of 8104976 via cif-deposit CGI script. |
8104976.cif |
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Users of the data should acknowledge the original authors of the
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