Information card for entry 7006415

Structure parameters

• Chemical name: Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate
• Formula: C34 H38 B2 F8 Fe N14
• Calculated formula: C34 H38 B2 F8 Fe N14
• Title of publication: Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.
• Authors of publication: Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 823 - 830
• a: 11.5476 ± 0.0001 Å
• b: 13.6803 ± 0.0001 Å
• c: 26.3236 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4158.46 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No