Information card for entry 4349772

Structure parameters

• Formula: C34 H21 Au F5 N2 P
• Calculated formula: C34 H21 Au F5 N2 P
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Au][P](c1ccc(cc1)c1cnc(cc1)c1ccccn1)(c1ccccc1)c1ccccc1
• 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: 12.5244 ± 0.0008 Å
• b: 16.115 ± 0.0011 Å
• c: 14.6106 ± 0.001 Å
• α: 90°
• β: 102.486 ± 0.001°
• γ: 90°
• Cell volume: 2879.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No