Information card for entry 1566346

Structure parameters

• Formula: C52 H77 B2 Na O6
• Calculated formula: C52 H77 B2 Na O6
• Title of publication: A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.
• Authors of publication: Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3009 - 3013
• a: 12.5628 ± 0.001 Å
• b: 13.3264 ± 0.0011 Å
• c: 15.5838 ± 0.0013 Å
• α: 90°
• β: 106.231 ± 0.002°
• γ: 90°
• Cell volume: 2505 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No