Information card for entry 4325085

Structure parameters

• Formula: C34 H50 Cl4 Fe2 N16 O3
• Calculated formula: C34 H50 Cl4 Fe2 N16 O3
• 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: 9.736 ± 0.004 Å
• b: 10.067 ± 0.005 Å
• c: 11.841 ± 0.005 Å
• α: 79.413 ± 0.013°
• β: 83.02 ± 0.014°
• γ: 71.643 ± 0.012°
• Cell volume: 1080.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2523
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No