Information card for entry 4129762

Structure parameters

• Formula: C40 H62 Cl6 Fe2 N8 O20
• Calculated formula: C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998
• Title of publication: A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.
• Authors of publication: Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 50
• Pages of publication: 15699 - 15702
• a: 13.5632 ± 0.0005 Å
• b: 13.5632 ± 0.0005 Å
• c: 8.7449 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1393.19 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 162
• Hermann-Mauguin space group symbol: P -3 1 m
• Hall space group symbol: -P 3 2
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2481
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No