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Information card for entry 1569177
Preview
| Coordinates | 1569177.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κ<i>N</i>)hexa-<i>octahedro</i>-niobate |
|---|---|
| Formula | C30 H52 Cl12 N14 Nb6 S6 |
| Calculated formula | C30 H52 Cl12 N14 Nb6 S6 |
| Title of publication | Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate |
| Authors of publication | Sperlich, Eric; Köckerling, Martin |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 5 |
| a | 25.399 ± 0.002 Å |
| b | 25.399 ± 0.002 Å |
| c | 30.418 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16994 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283746 (current) | 2023-05-13 | cif/ Adding structures of 1569177 via cif-deposit CGI script. |
1569177.cif |
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Users of the data should acknowledge the original authors of the
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