Information card for entry 1566347

Structure parameters

• Formula: C55 H65 B2 Cu N2
• Calculated formula: C55 H65 B2 Cu N2
• SMILES: [B]12(c3c(C)cccc3)(c3c(C)cccc3)[Cu](=C3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[B]2([H]1)(c1c(C)cccc1)c1c(C)cccc1
• 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: 13.312 ± 0.0012 Å
• b: 19.989 ± 0.002 Å
• c: 17.2387 ± 0.0017 Å
• α: 90°
• β: 96.574 ± 0.003°
• γ: 90°
• Cell volume: 4556.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No