Information card for entry 7205547

Structure parameters

• Formula: C50.83 H41.74 N2.91 O12 Si
• Calculated formula: C50.82 H41.73 N2.91 O12 Si
• Title of publication: Synthesis, crystallization, electrochemistry and single crystal X-ray analysis of a methoxy-substituted-tris-phenalenyl based neutral radical
• Authors of publication: Sarkar, Arindam; Tham, Fook S.; Haddon, Robert C.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 1574
• a: 12.357 ± 0.002 Å
• b: 12.711 ± 0.002 Å
• c: 14.644 ± 0.003 Å
• α: 91.192 ± 0.003°
• β: 104.382 ± 0.003°
• γ: 101.723 ± 0.003°
• Cell volume: 2175.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No