Information card for entry 7714092

Structure parameters

• Chemical name: Bis[2,6-Bis(imidazo[1,2-a]pyrimidin-2-yl)pyridine]iron(II)ditetrafluoroborate sesqui-acetonitrile solvate
• Formula: C37 H26.5 B2 F8 Fe N15.5
• Calculated formula: C37 H26.5 B2 F8 Fe N15.5
• 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: 13.0255 ± 0.0005 Å
• b: 13.5032 ± 0.0006 Å
• c: 13.7441 ± 0.0006 Å
• α: 101.726 ± 0.004°
• β: 102.485 ± 0.003°
• γ: 118.47 ± 0.004°
• Cell volume: 1938.19 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No