Information card for entry 7717400

Structure parameters

• Formula: C36 H46 F6 Fe N6 O6 S2
• Calculated formula: C36 H46 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: 20.8837 ± 0.0003 Å
• b: 10.4542 ± 0.0001 Å
• c: 19.34 ± 0.0003 Å
• α: 90°
• β: 108.114 ± 0.002°
• γ: 90°
• Cell volume: 4013.09 ± 0.1 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: 0.046
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No