Information card for entry 4343275

Structure parameters

• Chemical name: Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate tetrakis-nitromethane solvate
• Formula: C28 H34 B2 F8 Fe N14 O8
• Calculated formula: C28 H34 B2 F8 Fe N14 O8
• 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: 16.2226 ± 0.0003 Å
• b: 16.2226 ± 0.0003 Å
• c: 14.8493 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3907.93 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No