Information card for entry 1563903

Structure parameters

• Formula: C180 H150 Au13 Cl5 N20
• Calculated formula: C180 H150 Au13 Cl5 N20
• SMILES: [Au]1234([Au]567[Au]89%101[Au]1%11%122[Au]2%13[Au]%1435[Au]35%15([Au]%16481[Au]19([Au]65=C4N(Cc5c(CN6C=7N(Cc7ccccc7)c7ccccc67)cccc5)c5ccccc5N4Cc4ccccc4)([Au]4%11([Au]23([Au]%15%1614Cl)=C1N(Cc2c(CN3C=%13N(Cc4ccccc4)c4ccccc34)cccc2)c2ccccc2N1Cc1ccccc1)=C1N(Cc2c(CN3C=%12N(Cc4ccccc4)c4ccccc34)cccc2)c2ccccc2N1Cc1ccccc1)=C1N(Cc2c(CN3C=%10N(Cc4ccccc4)c4ccccc34)cccc2)c2ccccc2N1Cc1ccccc1)=C1N(Cc2c(CN3C=%14N(Cc4ccccc4)c4ccccc34)cccc2)c2ccccc2N1Cc1ccccc1)Cl.[Cl-].[Cl-].[Cl-]
• Title of publication: Synthesis and enantioseparation of chiral Au13 nanoclusters protected by bis-N-heterocyclic carbene ligands
• Authors of publication: Yi, Hong; Crudden, Cathleen; Nambo, Masakazu; Aramaki, Yoshitaka; Veinot, Alex J.; Ooi, Takashi; Levchenko, Tetyana I.; Osten, Kimberly M.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 33.83 ± 0.004 Å
• b: 28.509 ± 0.003 Å
• c: 19.234 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18550 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No