Information card for entry 7008365

Structure parameters

• Chemical name: Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) di(hexafluoroantimonate)
• Formula: C22 H18 F12 Fe N10 Sb2
• Calculated formula: C22 H18 F12 Fe N10 Sb2
• SMILES: c1cc2[n]3[Fe]45([n]6cccn26)([n]2c(cccc2n2ccc[n]52)n2[n]4ccc2)[n]2n(c3c1)ccc2.F[Sb](F)(F)([F-])(F)F.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.
• Authors of publication: Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1693 - 1700
• a: 14.6737 ± 0.0002 Å
• b: 9.561 ± 0.0002 Å
• c: 21.1182 ± 0.0004 Å
• α: 90°
• β: 100.002 ± 0.0008°
• γ: 90°
• Cell volume: 2917.75 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No