Information card for entry 7008366

Structure parameters

• Chemical name: Bis[2,6-bis{3-phenylpyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate, alpha polymorph
• Formula: C46 H34 B2 F8 Fe N10
• Calculated formula: C46 H34 B2 F8 Fe N10
• 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: 7.492 ± 0.0001 Å
• b: 25.95 ± 0.0004 Å
• c: 22.5016 ± 0.0004 Å
• α: 90°
• β: 99.2805 ± 0.0006°
• γ: 90°
• Cell volume: 4317.44 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.141
• Residual factor for significantly intense reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.2848
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No