Information card for entry 7008364

Structure parameters

• Chemical name: Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) diperchlorate
• Formula: C22 H18 Cl2 Fe N10 O8
• Calculated formula: C22 H18 Cl2 Fe N10 O8
• SMILES: c1cc2[n]3[Fe]45([n]6cccn26)([n]2c(cccc2n2ccc[n]52)n2[n]4ccc2)[n]2n(c3c1)ccc2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 14.386 ± 0.0003 Å
• b: 9.246 ± 0.0002 Å
• c: 20.1033 ± 0.0004 Å
• α: 90°
• β: 99.4384 ± 0.0014°
• γ: 90°
• Cell volume: 2637.8 ± 0.1 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: 0.0557
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No