Information card for entry 4001392

Structure parameters

• Formula: C28 H30 F4 N8 O4
• Calculated formula: C28 H30 F4 N8 O4
• SMILES: Fc1c(F)c2c(c(c1F)F)[nH]c(C1=N(=O)C(C([N]1=O)(C)C)(C)C)n2.c1cc2c(cc1)[nH]c(C1=N(=O)C(C([N]1=O)(C)C)(C)C)n2
• Title of publication: An Organic Radical Solid Solution with Strong Ferromagnetic Exchange
• Authors of publication: Murata, Hidenori; Mague, Joel T.; Aboaku, Safo; Yoshioka, Naoki; Lahti, Paul M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4111
• a: 8.694 ± 0.003 Å
• b: 15.491 ± 0.004 Å
• c: 20.569 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2770.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No