Information card for entry 7711331

Structure parameters

• Formula: C106 H154 B2 K2 N2 O18
• Calculated formula: C106 H154 B2 K2 N2 O18
• Title of publication: Synthesis and Isolation of Dinuclear N,C-Chelate Organoboron Compounds Bridged by Neutral, Anionic, and Dianionic 4,4’-Bipyridine via Reductive Coupling of Pyridines
• Authors of publication: Li, Hai-Jun; Feng, Rui; Shi, Xianghui; Wei, Junnian; Xi, Zhenfeng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 31.8072 ± 0.0017 Å
• b: 12.8637 ± 0.0007 Å
• c: 26.0895 ± 0.0014 Å
• α: 90°
• β: 99.889 ± 0.006°
• γ: 90°
• Cell volume: 10516.1 ± 1 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1535
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2527
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No