Information card for entry 7714087

Structure parameters

• Chemical name: Bromo[2,6-bis(imidazo[1,2â\/E?a]quinolin-2-yl)pyridine]bis(pyridine)iron(II) bromide hemihydrate
• Formula: C37 H28 Br2 Fe N7 O0.5
• Calculated formula: C37 H27 Br2 Fe N7 O0.5
• 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: 12.8813 ± 0.0004 Å
• b: 14.1735 ± 0.0004 Å
• c: 19.6258 ± 0.0005 Å
• α: 90°
• β: 108.553 ± 0.004°
• γ: 90°
• Cell volume: 3396.93 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 6
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No