Information card for entry 7029571

Structure parameters

• Chemical name: Bis[2,6-bis(5-tertbutyl-1H-pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate 2,2,2-trifluoroethanol di-isopropyl ether solvate
• Formula: C41.55 H57.08 B2 F10.18 Fe N10 O1.08
• Calculated formula: C41.55 H57.075 B2 F10.175 Fe N10 O1.075
• Title of publication: Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.
• Authors of publication: Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7577 - 7588
• a: 17.588 ± 0.002 Å
• b: 19.509 ± 0.002 Å
• c: 32.399 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11117 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No