Information card for entry 7120823

Structure parameters

• Formula: C50 H79 B2 Li N4 O12
• Calculated formula: C50 H79 B2 Li N4 O12
• Title of publication: Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center
• Authors of publication: Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.7547 ± 0.0003 Å
• b: 28.7561 ± 0.0008 Å
• c: 15.7165 ± 0.0004 Å
• α: 90°
• β: 108.077 ± 0.0012°
• γ: 90°
• Cell volume: 5050.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No