Information card for entry 4122774

Structure parameters

• Formula: C26 H14 Be O4
• Calculated formula: C26 H14 Be O4
• Title of publication: Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.
• Authors of publication: Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 14738 - 14741
• a: 14.1437 ± 0.001 Å
• b: 10.7763 ± 0.0008 Å
• c: 12.2759 ± 0.0009 Å
• α: 90°
• β: 92.9231 ± 0.001°
• γ: 90°
• Cell volume: 1868.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No