Information card for entry 7008367

Structure parameters

• Common name: Bis(2,6-bis(3-phenylpyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate, beta polymorph
• Chemical name: Bis[2,6-bis{3-phenylpyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate, beta polymorph
• Formula: C46 H34 B2 F8 Fe N10
• Calculated formula: C46 H34 B2 F8.14 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: 7.6246 ± 0.0015 Å
• b: 26.37 ± 0.004 Å
• c: 44.091 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8865 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No