Information card for entry 4325672

Structure parameters

• Formula: C36 H36 Fe2 N12 O6
• Calculated formula: C36 H36 Fe2 N12 O6
• 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: 8.6159 ± 0.0003 Å
• b: 9.5297 ± 0.0003 Å
• c: 12.67 ± 0.0006 Å
• α: 84.027 ± 0.001°
• β: 81.526 ± 0.001°
• γ: 77.577 ± 0.002°
• Cell volume: 1002.02 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No