Information card for entry 7207916

Structure parameters

• Formula: C67.06 H46.64 B2 F24 O5.26 S4
• Calculated formula: C67.056 H46.64 B2 F24 O5.264 S4
• Title of publication: Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals
• Authors of publication: Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 8245
• a: 17.2914 ± 0.0014 Å
• b: 21.5371 ± 0.0018 Å
• c: 21.8259 ± 0.0018 Å
• α: 112.183 ± 0.0015°
• β: 98.9048 ± 0.0015°
• γ: 108.721 ± 0.0015°
• Cell volume: 6766.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No