Information card for entry 7001853

Structure parameters

• Common name: Bis(2,6-bis(4-iodopyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate mono-acetone solvate
• Chemical name: Bis[2,6-bis{4-iodopyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate mono-acetone solvate
• Formula: C25 H20 B2 F8 Fe I4 N10 O
• Calculated formula: C25 H20 B2 F7.96 Fe I4 N10 O
• Title of publication: Thermal and light-induced spin-transitions in iron(ii) complexes of 2,6-bis(4-halopyrazolyl)pyridines: the influence of polymorphism on a spin-crossover compound
• Authors of publication: Pritchard, Ruth; Lazar, Hanane; Barrett, Simon A.; Kilner, Colin A.; Asthana, Saket; Carbonera, Chiara; Létard, Jean-François; Halcrow, Malcolm A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6656 - 6666
• a: 15.6789 ± 0.0002 Å
• b: 16.5181 ± 0.0002 Å
• c: 15.9708 ± 0.0002 Å
• α: 90°
• β: 96.34 ± 0.001°
• γ: 90°
• Cell volume: 4110.91 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No