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CIF Information Card
Information card for 1100912
1100911 << 1100912 >> 1100913Preview
|
Coordinates |
1100912.cif |
Structure parameters
| Common name | Sodium nitroprusside, deuterated |
| Chemical name | disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide) |
| Formula | - C5 D4 Fe N6 Na2 O3 - |
| Calculated formula | - C5 D4 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 ± 1 K |
| Ambient diffraction temperature | 11 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | Pnnm |
| Hall symmetry space group | -P 2 2n |
| Residual factor for all reflections | 0.025 |
| Residual factor for observed reflections | 0.02 |
| Weighted residual factors for all reflections included in the refinement | 0.054 |
| Goodness-of-fit parameter for observed reflections | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |