Information card for entry 7714091

Structure parameters

• Chemical name: Bis[2,6-Bis(imidazo[1,2-a]pyrimidin-2-yl)pyridine]iron(II)ditetrafluoroborate nitromethane/diethyl ether solvate
• Formula: C39.5 H37.5 B2 F8 Fe N17.5 O7.5
• Calculated formula: C39.5 H37.5 B2 F8 Fe N17.5 O7.5
• Title of publication: Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors
• Authors of publication: Kulmaczewski, Rafal; Halcrow, Malcolm
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.6361 ± 0.0006 Å
• b: 13.4938 ± 0.0007 Å
• c: 14.3473 ± 0.0007 Å
• α: 80.455 ± 0.004°
• β: 89.884 ± 0.004°
• γ: 76.63 ± 0.004°
• Cell volume: 2345.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No