Information card for entry 7714088

Structure parameters

• Chemical name: Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate nitromethane (1/0.8) solvate
• Formula: C38.8 H28.4 B2 F8 Fe N10.8 O1.6
• Calculated formula: C38.8 H28.4 B2 F8 Fe N10.8 O1.6
• 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: 12.3988 ± 0.0005 Å
• b: 12.9182 ± 0.0004 Å
• c: 25.284 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4049.7 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No