Information card for entry 4122330

Structure parameters

• Chemical name: [{Tl{B(NArCH)2}}2{C6H10}{B(NArCH)2}].0.5(C5H12)
• Formula: C85.25 H121 B3 N6 Tl
• Calculated formula: C85.25 H121 B3 N6 Tl
• Title of publication: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.
• Authors of publication: Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10902 - 10905
• a: 31.1097 ± 0.0002 Å
• b: 12.833 ± 0.00013 Å
• c: 21.5279 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8594.6 ± 0.11 ų
• Cell temperature: 150 ± 0.4 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.0253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No