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Information card for entry 3000245
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| Coordinates | 3000245.cif |
|---|
| Formula | C18 H18 Ag2 Fe N6 |
|---|---|
| Calculated formula | C18 H18 Ag2 Fe N6 |
| Title of publication | Structural Insights into the Two-Step Spin-Crossover Compound Fe(3,4-dimethyl-pyridine)2[Ag(CN)2]2 |
| Authors of publication | Rodriguez Velamazan |
| Journal of publication | Crystals |
| Year of publication | 2019 |
| Pages of publication | 316 |
| a | 10.0093 ± 0.0008 Å |
| b | 15.0039 ± 0.0011 Å |
| c | 14.8435 ± 0.0011 Å |
| α | 90° |
| β | 91.439 ± 0.001° |
| γ | 90° |
| Cell volume | 2228.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216475 (current) | 2019-06-21 | cif/ Updating files of 3000245 Original log message: Releasing structure 3000245 into public domain as published material. |
3000245.cif |
| 215455 | 2019-05-23 | cif/ Adding structures of 3000245 via cif-deposit CGI script. |
3000245.cif |
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Users of the data should acknowledge the original authors of the
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