Information card for entry 7714093

Structure parameters

• Chemical name: Bis[2,6-bis(quinolin-2-yl)pyridine]iron(II) ditetrafluoroborateacetonitrile diethyl ether hydrate solvate
• Formula: C49.28 H35.93 B2 F8 Fe N7.39 O0.38
• Calculated formula: C49.285 H35.4275 B2 F8 Fe N7.3925 O0.375
• 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: 18.9083 ± 0.0003 Å
• b: 48.0111 ± 0.0009 Å
• c: 20.0833 ± 0.0003 Å
• α: 90°
• β: 93.963 ± 0.002°
• γ: 90°
• Cell volume: 18188.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 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: 0.1441
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.2885
• Weighted residual factors for all reflections included in the refinement: 0.3062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No