Information card for entry 7714085

Structure parameters

• Chemical name: Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate acetonitrile solvate
• Formula: C40 H29 B2 F8 Fe N11
• Calculated formula: C40 H29 B2 F8 Fe N11
• 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: 12.4421 ± 0.0003 Å
• b: 12.9696 ± 0.0003 Å
• c: 25.2174 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4069.31 ± 0.19 ų
• Cell temperature: 119.99 ± 0.17 K
• Ambient diffraction temperature: 119.99 ± 0.17 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No