Information card for entry 4343279

Structure parameters

• Chemical name: Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) di-hexafluorophosphate
• Formula: C24 H22 F12 Fe N10 P2
• Calculated formula: C24 H22 F12 Fe N10 P2
• Title of publication: Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.
• Authors of publication: Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6319 - 6330
• a: 22.1424 ± 0.0011 Å
• b: 10.99 ± 0.0004 Å
• c: 15.2542 ± 0.0006 Å
• α: 90°
• β: 123.231 ± 0.003°
• γ: 90°
• Cell volume: 3105 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No