Information card for entry 7717399

Structure parameters

• Formula: C40 H54 F6 Fe N6 O6 S2
• Calculated formula: C40 H54 F6 Fe N6 O6 S2
• 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: 23.891 ± 0.0006 Å
• b: 10.3579 ± 0.0002 Å
• c: 19.4682 ± 0.0005 Å
• α: 90°
• β: 110.978 ± 0.003°
• γ: 90°
• Cell volume: 4498.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0781
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0393
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No