Information card for entry 7127697

Structure parameters

• Formula: C48 H40 Au B Cl2 N6
• Calculated formula: C48 H40 Au B Cl2 N6
• SMILES: [Au]12([n]3n([BH](n4[n]1c(cc4c1ccccc1)c1ccccc1)n1nc(cc1c1ccccc1)c1ccccc1)c(cc3c1ccccc1)c1ccccc1)[CH2]=[CH2]2.C(Cl)Cl
• 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: 13.1586 ± 0.0007 Å
• b: 17.0373 ± 0.001 Å
• c: 18.2948 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4101.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No