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Information card for entry 1552297
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| Coordinates | 1552297.cif |
|---|---|
| Structure factors | 1552297.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)] |
|---|---|
| Formula | C10 H18 Co K N5 O7 S4 |
| Calculated formula | C10 H18 Co K N5 O7 S4 |
| Title of publication | Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O |
| Authors of publication | Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | x191142 |
| a | 9.3713 ± 0.0002 Å |
| b | 14.1059 ± 0.0003 Å |
| c | 15.7347 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2079.98 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218068 (current) | 2019-09-07 | cif/ hkl/ Adding structures of 1552297 via cif-deposit CGI script. |
1552297.cif 1552297.hkl |
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