Information card for entry 7710084

Structure parameters

• Formula: C20 H45 Au B2 Cl N2 P
• Calculated formula: C20 H45 Au B2 Cl N2 P
• SMILES: [Au]([P](C)(C)C)C1=[N](C(C)(C)C)[B](Cl)(N(C(C)(C)C)B1C(C)(C)C)C(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: 10.461 ± 0.005 Å
• b: 10.965 ± 0.006 Å
• c: 12.083 ± 0.006 Å
• α: 83.701 ± 0.007°
• β: 89.22 ± 0.008°
• γ: 75.206 ± 0.006°
• Cell volume: 1331.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1141
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No