Information card for entry 1559579

Structure parameters

• Formula: C48 H60 Au B N4
• Calculated formula: C48 H60 Au B N4
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[B](c1c(cccc1)C)(c1c(cccc1)C)[n]1ccc(cc1)N(C)C
• Title of publication: Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.
• Authors of publication: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 917 - 928
• a: 14.021 ± 0.0002 Å
• b: 17.7771 ± 0.0003 Å
• c: 17.7051 ± 0.0003 Å
• α: 90°
• β: 97.0981 ± 0.0015°
• γ: 90°
• Cell volume: 4379.22 ± 0.12 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No