Information card for entry 4325460

Structure parameters

• Formula: C110 H116 Fe3 N12 O8
• Calculated formula: C110 H116 Fe3 N12 O8
• 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: 28.9533 ± 0.0007 Å
• b: 13.0045 ± 0.0003 Å
• c: 26.734 ± 0.0008 Å
• α: 90°
• β: 90.526 ± 0.002°
• γ: 90°
• Cell volume: 10065.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No