Information card for entry 2019152

Structure parameters

• Chemical name: {η^2^-μ-3-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-yl}bis{3-[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-1-yl}digold(I) deuterochloroform disolvate
• Formula: C59 H52 Au2 Cl6 D2 N4 O6
• Calculated formula: C59 H52 Au2 Cl6 D2 N4 O6
• SMILES: [Au]1(C#CCN2C(=O)c3c4c(C2=O)cccc4ccc3)[C](#[C]1[Au]C#CCN1C(=O)c2c3c(C1=O)cccc3ccc2)CN1C(=O)c2c3c(C1=O)cccc3ccc2.C(CC)[N+](CCC)(CCC)CCC.C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl
• Title of publication: Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes
• Authors of publication: Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 954 - 958
• a: 8.3493 ± 0.0005 Å
• b: 13.197 ± 0.0007 Å
• c: 25.8732 ± 0.0014 Å
• α: 85.084 ± 0.001°
• β: 89.936 ± 0.001°
• γ: 82.957 ± 0.001°
• Cell volume: 2818.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes