Information card for entry 7710083

Structure parameters

• Formula: C26 H57 Au B2 Li N2 O2 P
• Calculated formula: C26 H57 Au B2 Li N2 O2 P
• SMILES: [Au]([C]1([Li]23[O](CC[O]3C)C)B(N(B([N]2=1C1CCCCC1)C(C)(C)C)C(C)(C)C)C(C)(C)C)[P](C)(C)C
• Title of publication: Boron, nitrogen-containing heterocyclic carbene (BNC) as a redox active ligand: synthesis and characterization of a lithium BNC-aurate complex
• Authors of publication: Kimura, Yoshitaka; Lugo-Fuentes, Leonardo I.; Saito, Souta; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Yamamoto, Yohsuke; Nakamoto, Masaaki; Shang, Rong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.464 ± 0.01 Å
• b: 18.202 ± 0.018 Å
• c: 16.405 ± 0.016 Å
• α: 90°
• β: 103.72 ± 0.005°
• γ: 90°
• Cell volume: 3326 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No