Information card for entry 4116479

Structure parameters

• Formula: C25 H27 Br Cl2 F12 Mn N2 O7
• Calculated formula: C25 H27 Br Cl2 F12 Mn N2 O7
• Title of publication: Mn(II)-Induced Formation and Structural Elucidation of a [3 + 3] Benzene Dimer Derivative from m-Phenylenebis(N-tert-butylaminoxyl)
• Authors of publication: Fumiyasu Iwahori; Katsuya Inoue; Hiizu Iwamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7264 - 7265
• a: 15.036 ± 0.003 Å
• b: 9.582 ± 0.003 Å
• c: 26.118 ± 0.008 Å
• α: 90°
• β: 102.23 ± 0.02°
• γ: 90°
• Cell volume: 3677.5 ± 1.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 3.305
• Goodness-of-fit parameter for significantly intense reflections: 4.468
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No