Information card for entry 1532314

Structure parameters

• Chemical name: Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32
• Formula: C30 H64 Fe5 N26 Na16 O36
• Calculated formula: C30 Fe5 N26 Na16 O36
• SMILES: C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O
• Title of publication: X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion
• Authors of publication: Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J.
• Journal of publication: Journal of Chemical Crystallography
• Year of publication: 2001
• Journal volume: 31
• Journal issue: 11-12
• Pages of publication: 471 - 477
• a: 16.308 Å
• b: 16.308 Å
• c: 15.418 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4100.43 ų
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No