Information card for entry 4122335

Structure parameters

• Chemical name: In19{B(NArCH)2}}6
• Formula: C156 H213 B6 In19 N12
• Calculated formula: C156 H213 B6 In19 N12
• 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: 18.3798 ± 0.0002 Å
• b: 27.1678 ± 0.0003 Å
• c: 19.4457 ± 0.0002 Å
• α: 90°
• β: 92.2554 ± 0.001°
• γ: 90°
• Cell volume: 9702.47 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0735
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No