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Information card for entry 1100913
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| Coordinates | 1100913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sodium nitroprusside, deuterated |
|---|---|
| Chemical name | disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide) |
| Formula | C5 H1.1 D2.9 Fe N6 Na2 O3 |
| Calculated formula | C5 H1.102 D2.898 Fe N6 Na2 O3 |
| Title of publication | Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction |
| Authors of publication | Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 1289 - 1291 |
| a | 6.124 ± 0.002 Å |
| b | 11.837 ± 0.005 Å |
| c | 15.547 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1127 ± 0.7 Å3 |
| Cell temperature | 11 K |
| Ambient diffraction temperature | 15 K |
| Number of distinct elements | 7 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Goodness-of-fit parameter for all reflections | 3.75 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | pulsedneutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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