Information card for entry 4120529

Structure parameters

• Formula: C30 H36 Al Cl3 N4
• Calculated formula: C30 H36 Al Cl3 N4
• Title of publication: The elusive three-coordinate dicationic hydrido boron complex.
• Authors of publication: Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 914 - 917
• a: 34.7075 ± 0.0009 Å
• b: 11.0418 ± 0.0003 Å
• c: 15.8058 ± 0.0004 Å
• α: 90°
• β: 99.887 ± 0.002°
• γ: 90°
• Cell volume: 5967.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No