Information card for entry 4344026

Structure parameters

• Common name: Fe(pic)3-oTf
• Formula: C20 H24 F6 Fe N6 O6 S2
• Calculated formula: C20 H24 F6 Fe N6 O6 S2
• Title of publication: Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.
• Authors of publication: Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7857 - 7867
• a: 7.625 ± 0.01 Å
• b: 11.616 ± 0.015 Å
• c: 17.52 ± 0.02 Å
• α: 70.742 ± 0.015°
• β: 80.735 ± 0.016°
• γ: 81.149 ± 0.018°
• Cell volume: 1437 ± 3 ų
• Cell temperature: 360 ± 2 K
• Ambient diffraction temperature: 360 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No