Information card for entry 7111031

Structure parameters

• Formula: C7 Br F4 N2 Se2
• Calculated formula: C7 Br F4 N2 Se2
• SMILES: Brc1c(F)c(F)c(C2=N[Se][Se][N]2)c(F)c1F
• Title of publication: An unprecedented mode of association in diselenadiazolyl radicals: crystal structures and magnetic properties of [p-XC6F4CNSeSeN]2 (X=Cl, Br)
• Authors of publication: Feeder, Neil; Less, Robert J.; Rawson, Jeremy M.; Oliete, Patricia; Palacio, Fernando
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 2449
• a: 26.275 ± 0.011 Å
• b: 6.131 ± 0.007 Å
• c: 12.513 ± 0.01 Å
• α: 90°
• β: 102.85 ± 0.06°
• γ: 90°
• Cell volume: 1965 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1496
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections: 0.2821
• Weighted residual factors for significantly intense reflections: 0.2475
• Goodness-of-fit parameter for all reflections: 1.165
• Goodness-of-fit parameter for significantly intense reflections: 1.322
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No