Information card for entry 2011493

Structure parameters

• Common name: Sodium nitroprusside, deuterated
• Formula: C5 D4 Fe N6 Na2 O3
• Calculated formula: C5 D4 Fe N6 Na2 O3
• SMILES: [Fe](N=O)(C#N)(C#N)(C#N)(C#N)C#N.[Na+].[Na+].O([2H])[2H].O([2H])[2H]
• 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 ų
• Cell temperature: 11 ± 1 K
• Ambient diffraction temperature: 11 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Duplicate of: 1100912
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No