Information card for entry 1559583

Structure parameters

• Formula: C54 H72 Au B N4
• Calculated formula: C54 H72 Au B N4
• SMILES: [B]1(N(C(=[Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(C(C)C)cccc2C(C)C)N1C1CCCCC1)C1CCCCC1)(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: 12.3058 ± 0.0004 Å
• b: 26.0004 ± 0.0006 Å
• c: 16.284 ± 0.0003 Å
• α: 90°
• β: 100.267 ± 0.002°
• γ: 90°
• Cell volume: 5126.7 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No