Information card for entry 7022110

Structure parameters

• Common name: Bis(2,6-bis(pyrimidin-4-yl)pyridine)iron(ii) ditetrafluoroborate tri-nitromethane solvate
• Chemical name: Bis(2,6-bis(pyrimidin-4-yl)pyridine]iron(II) ditetrafluoroborate tri-nitromethane solvate
• Formula: C29 H27 B2 F8 Fe N13 O6
• Calculated formula: C29 H27 B2 F8 Fe N13 O6
• Title of publication: Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.
• Authors of publication: Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2254 - 2265
• a: 11.506 ± 0.002 Å
• b: 14.577 ± 0.003 Å
• c: 23.349 ± 0.004 Å
• α: 90°
• β: 96.533 ± 0.009°
• γ: 90°
• Cell volume: 3890.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No