Information card for entry 1518756

Structure parameters

• Formula: C53 H79 Au B Cl N4 O4
• Calculated formula: C53 H79 Au B Cl N4 O4
• SMILES: [Au](=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)[B](=C1OCC(N1C)(C)C)(=C1OCC(N1C)(C)C)c1ccccc1.[Cl-].O1CCCC1.O1CCCC1
• Title of publication: Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors
• Authors of publication: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 2893
• a: 15.396 ± 0.002 Å
• b: 14.4925 ± 0.0019 Å
• c: 24.966 ± 0.004 Å
• α: 90°
• β: 100.935 ± 0.006°
• γ: 90°
• Cell volume: 5469.4 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No