Information card for entry 4349771

Structure parameters

• Formula: C27 H20 Au N3
• Calculated formula: C27 H20 Au N3
• SMILES: C([Au]C#[N]c1c(cccc1C)C)#Cc1ccc(cc1)c1cnc(cc1)c1ccccn1
• Title of publication: Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes
• Authors of publication: Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 160
• a: 15.9964 ± 0.0017 Å
• b: 7.9167 ± 0.0009 Å
• c: 34.774 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4403.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No