Information card for entry 7039987

Structure parameters

• Formula: C20 H20 B2 F8 Fe N12
• Calculated formula: C20 H20 B2 F8 Fe N12
• Title of publication: Accessing spin-crossover behaviour in iron(ii) complexes of N-confused scorpionate ligands.
• Authors of publication: Gardinier, James R.; Treleven, Alex R.; Meise, Kristin J.; Lindeman, Sergey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12639 - 12643
• a: 10.0567 ± 0.0003 Å
• b: 7.6103 ± 0.0002 Å
• c: 17.2769 ± 0.0006 Å
• α: 90°
• β: 97.843 ± 0.003°
• γ: 90°
• Cell volume: 1309.91 ± 0.07 ų
• Cell temperature: 99.95 ± 0.1 K
• Ambient diffraction temperature: 99.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No