Information card for entry 4325083

Structure parameters

• Formula: C38.25 H48 F12 Fe2 N16 O13.75 S4
• Calculated formula: C38.25 H48 F12 Fe2 N16 O13.75 S4
• Title of publication: Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [FeII2(PMAT)2](X)4
• Authors of publication: Jonathan A. Kitchen; Nicholas G. White; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4586 - 4597
• a: 16.112 ± 0.002 Å
• b: 20.052 ± 0.002 Å
• c: 17.618 ± 0.003 Å
• α: 90°
• β: 91.81 ± 0.006°
• γ: 90°
• Cell volume: 5689.1 ± 1.3 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.2981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No