Information card for entry 4325464

Structure parameters

• Formula: C50 H54 Fe N6 O8.5
• Calculated formula: C50.75 H42 Fe N6 O7.75
• Title of publication: Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers
• Authors of publication: Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5925 - 5935
• a: 13.31 ± 0.0003 Å
• b: 11.6027 ± 0.0002 Å
• c: 15.9378 ± 0.0004 Å
• α: 90°
• β: 103.807 ± 0.002°
• γ: 90°
• Cell volume: 2390.19 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No