Information card for entry 4325670

Structure parameters

• Formula: C56 H76 Fe N14 O2
• Calculated formula: C56 H76 Fe N14 O2
• Title of publication: Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6673 - 6684
• a: 10.9598 ± 0.0001 Å
• b: 18.8191 ± 0.0002 Å
• c: 13.9049 ± 0.0002 Å
• α: 90°
• β: 93.516 ± 0.001°
• γ: 90°
• Cell volume: 2862.54 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No