Information card for entry 4345795

Structure parameters

• Formula: C45 H37 Au B N6 P S3
• Calculated formula: C45 H37 Au B N6 P S3
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C1N(c2ccccc2)C=CN1[BH](N1C(=S)N(c2ccccc2)C=C1)N1C(=S)N(c2ccccc2)C=C1
• Title of publication: Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination.
• Authors of publication: Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4253 - 4257
• a: 9.3602 ± 0.0006 Å
• b: 20.5287 ± 0.0012 Å
• c: 22.331 ± 0.0014 Å
• α: 74.905 ± 0.004°
• β: 85.876 ± 0.005°
• γ: 89.894 ± 0.005°
• Cell volume: 4131.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1694
• Residual factor for significantly intense reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.3116
• Weighted residual factors for all reflections included in the refinement: 0.3305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No