Information card for entry 7205548

Structure parameters

• Formula: C70.72 H56.44 B Cl3.44 O12 Si
• Calculated formula: C70.72 H56.44 B Cl3.44 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: 13.1909 ± 0.0002 Å
• b: 41.2909 ± 0.0005 Å
• c: 11.657 ± 0.0002 Å
• α: 90°
• β: 105.166 ± 0.0004°
• γ: 90°
• Cell volume: 6128.02 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.08
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No