Information card for entry 7707297

Structure parameters

• Formula: C155 H199 B3 N12 O3
• Calculated formula: C155 H199 B3 N12 O3
• Title of publication: Anionic oxoborane and thioxoborane molecules supported by a 1,2-bis(imino)acenaphthene ligand.
• Authors of publication: Liu, Rui; Gao, Fangfang; Liu, Jingjing; Wei, Jing; Hou, Lei; Xie, Gang; Chen, Sanping; Zeng, Fanlong; Li, Anyang; Wang, Wenyuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6797 - 6801
• a: 19.0151 ± 0.0012 Å
• b: 19.0592 ± 0.0013 Å
• c: 24.02 ± 0.0016 Å
• α: 82.716 ± 0.003°
• β: 68.186 ± 0.003°
• γ: 60.437 ± 0.003°
• Cell volume: 7012.4 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0831
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No