Information card for entry 7114901

Structure parameters

• Chemical name: Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate
• Formula: C22 H18 B2 F8 Fe N10
• Calculated formula: C22 H18 B2 F8 Fe N10
• Title of publication: An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]
• Authors of publication: Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 577
• a: 8.4947 ± 0.0002 Å
• b: 8.507 ± 0.0002 Å
• c: 19.0535 ± 0.0006 Å
• α: 90°
• β: 95.705 ± 0.0018°
• γ: 90°
• Cell volume: 1370.07 ± 0.06 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No