Information card for entry 7717404

Structure parameters

• Formula: C50.5 H81 B2 F8 Fe N6 O
• Calculated formula: C50.5 H81 B2 F8 Fe N6 O
• Title of publication: Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.
• Authors of publication: Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 46
• Pages of publication: 18698 - 18710
• a: 10.5737 ± 0.0002 Å
• b: 17.0941 ± 0.0003 Å
• c: 29.4514 ± 0.0004 Å
• α: 88.86 ± 0.001°
• β: 86.862 ± 0.001°
• γ: 89.547 ± 0.002°
• Cell volume: 5314.12 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No