Information card for entry 7710767

Structure parameters

• Formula: C20 H34 Au2 Br2 N12 O
• Calculated formula: C20 H34 Au2 Br2 N12 O
• SMILES: [Au]1=C2N(CCN3C(=[Au]=C4N(CCN5C=1N(N=C5)CC)C=NN4CC)N(N=C3)CC)C=NN2CC.[Br-].[Br-].O
• Title of publication: Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes
• Authors of publication: Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.54745 ± 0.00007 Å
• b: 9.97551 ± 0.00006 Å
• c: 17.05412 ± 0.00008 Å
• α: 99.8735 ± 0.0004°
• β: 90.4278 ± 0.0005°
• γ: 112.624 ± 0.0006°
• Cell volume: 1472.23 ± 0.017 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No