Information card for entry 7127698

Structure parameters

• Formula: C35 H62 Au B N6
• Calculated formula: C35 H62 Au B N6
• SMILES: [Au]12([n]3n(c(cc3C(C)(C)C)C(C)(C)C)[BH](n3[n]1c(cc3C(C)(C)C)C(C)(C)C)n1nc(cc1C(C)(C)C)C(C)(C)C)[CH2]=[CH2]2
• Title of publication: Gold(I) ethylene complexes supported by electron-rich scorpionates.
• Authors of publication: Wu, Jiang; Noonikara-Poyil, Anurag; Muñoz-Castro, Alvaro; Dias, H. V. Rasika
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 978 - 981
• a: 10.485 ± 0.002 Å
• b: 10.623 ± 0.002 Å
• c: 18.198 ± 0.004 Å
• α: 104.587 ± 0.003°
• β: 92.945 ± 0.003°
• γ: 102.963 ± 0.003°
• Cell volume: 1899.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No