Information card for entry 7715537

Structure parameters

• Chemical name: Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) diperchlorate
• Formula: C22 H18 Cl2 Fe N10 O8
• Calculated formula: C22 H18 Cl2 Fe N10 O8
• Title of publication: Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.
• Authors of publication: Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6983 - 6992
• a: 14.5206 ± 0.0002 Å
• b: 9.3323 ± 0.0001 Å
• c: 20.1872 ± 0.0002 Å
• α: 90°
• β: 99.014 ± 0.001°
• γ: 90°
• Cell volume: 2701.8 ± 0.05 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 0.1 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: 0.0451
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No