Information card for entry 7707296

Structure parameters

• Formula: C47 H61 B N4 S
• Calculated formula: C47 H61 B N4 S
• 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: 12.7222 ± 0.0008 Å
• b: 19.6535 ± 0.0012 Å
• c: 17.2812 ± 0.001 Å
• α: 90°
• β: 96.436 ± 0.002°
• γ: 90°
• Cell volume: 4293.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0545
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No