Information card for entry 4100315

Structure parameters

• Formula: C32 H80 Cl10 Fe4 N6
• Calculated formula: C32 H80 Cl10 Fe4 N6
• SMILES: C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C.N1([Fe]2(Cl)(N([Fe]12(Cl)Cl)[Fe](Cl)(Cl)Cl)Cl)[Fe](Cl)(Cl)Cl.C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C
• Title of publication: Initial Members of the Family of Molecular Mid-Valent High-Nuclearity Iron Nitrides: [Fe4N2X10]4- and [Fe10N8X12]5- (X = Cl-, Br-)
• Authors of publication: Bennett, Miriam V.; Stoian, Sebastian.; Bominaar, Emile L.; Munck, Eckard; Holm, R. H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.513 ± 0.003 Å
• b: 12.731 ± 0.003 Å
• c: 16.728 ± 0.004 Å
• α: 90°
• β: 111.403 ± 0.004°
• γ: 90°
• Cell volume: 2679.3 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No