Information card for entry 1533373

Structure parameters

• Formula: C28 H42 Au Cl3 N4 O
• Calculated formula: C28 H40 Au Cl3 N4 O
• SMILES: [Au](Cl)=C1N(c2c(cc(N)cc2C(C)C)C(C)C)C=CN1c1c(cc(N)cc1C(C)C)C(C)C.ClCCl.O
• Title of publication: AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages
• Authors of publication: Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7326
• a: 37.1846 ± 0.0013 Å
• b: 37.1846 ± 0.0013 Å
• c: 9.743 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13471.6 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No