Information card for entry 7006409

Structure parameters

• Chemical name: Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine]iron(II) dihexafluoroantimonate
• Formula: C26 H26 F12 Fe N10 Sb2
• Calculated formula: C26 H26 F12 Fe N10 Sb2
• SMILES: [Fe]1234([n]5c(cccc5n5[n]2c(cc5)C)n2[n]1c(cc2)C)[n]1c(cccc1n1[n]4c(cc1)C)n1[n]3c(cc1)C.[Sb](F)(F)(F)([F-])(F)F.[Sb](F)(F)(F)(F)([F-])F
• 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: 19.7007 ± 0.0004 Å
• b: 11.1095 ± 0.0002 Å
• c: 16.8557 ± 0.0002 Å
• α: 90°
• β: 110.916 ± 0.0006°
• γ: 90°
• Cell volume: 3446.04 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No