Information card for entry 4325466

Structure parameters

• Formula: C48 H52 Fe N4 O6
• Calculated formula: C48 H52 Fe N4 O6
• 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: 8.7967 ± 0.0002 Å
• b: 8.9245 ± 0.0002 Å
• c: 14.7428 ± 0.0004 Å
• α: 102.135 ± 0.002°
• β: 106.334 ± 0.002°
• γ: 97.4319 ± 0.0019°
• Cell volume: 1063.73 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No