Information card for entry 2005845

Structure parameters

• Common name: tetramethylammonium sodium nitroprusside 2.5-hydrate
• Chemical name: tetramethylammonium sodium nitrosylpentacyanoferrate (II) 2.5-hydrate
• Formula: C9 H17 Fe N7 Na O3.5
• Calculated formula: C9 H17 Fe N7 Na O3.5
• SMILES: N(=O)[Fe](C#N)(C#N)(C#N)(C#N)C#N.[N+](C)(C)(C)C.[Na+].O.O.O
• Title of publication: A Mixed Cation Ternary Nitroprusside: [(CH~3~)~4~N][Na][Fe(CN)~5~(NO)].2.5H~2~O
• Authors of publication: Longridge, J. J.; Rawson, J. M.; Davies, J. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 15 - 17
• a: 21.454 ± 0.004 Å
• b: 9.107 ± 0.002 Å
• c: 17.364 ± 0.003 Å
• α: 90°
• β: 93.57 ± 0.03°
• γ: 90°
• Cell volume: 3386 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.1155
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No