Information card for entry 1559587

Structure parameters

• Formula: C54 H60 Au B N2 O
• Calculated formula: C54 H60 Au B N2 O
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)OB(c1c(cccc1)C)c1c(cccc1)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: 18.4407 ± 0.0004 Å
• b: 23.6412 ± 0.0005 Å
• c: 21.238 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9258.9 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No