Information card for entry 7008368

Structure parameters

• Chemical name: Bis[2,6-bis(3-isopropylpyrazol-1-yl)pyridine]iron(II) dihexafluorophosphate hemi-diethyl ether acetonitrile solvate
• Formula: C37.17 H48.76 F12 Fe N10.59 O0.5 P2
• Calculated formula: C37.175 H48.7625 F12 Fe N10.5875 O0.5 P2
• 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: 22.7463 ± 0.0001 Å
• b: 13.2037 ± 0.0001 Å
• c: 63.9493 ± 0.0003 Å
• α: 90°
• β: 101.594 ± 0.0002°
• γ: 90°
• Cell volume: 18814.3 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No