Information card for entry 1566349

Structure parameters

• Formula: C55 H65 Au B2 N2
• Calculated formula: C55 H65 Au B2 N2
• SMILES: [Au]1(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[B]2(c3c(C)cccc3)(c3c(C)cccc3)[B]1(c1c(C)cccc1)(c1c(C)cccc1)[H]2
• 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: 21.161 ± 0.004 Å
• b: 17.679 ± 0.004 Å
• c: 25.912 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9694 ± 3 ų
• Cell temperature: 177 ± 2 K
• Ambient diffraction temperature: 177 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No