Information card for entry 4349769

Structure parameters

• Formula: C36 H44 Au N2 P
• Calculated formula: C36 H44 Au N2 P
• SMILES: C([Au][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)#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: 16.065 ± 0.002 Å
• b: 16.647 ± 0.002 Å
• c: 12.6489 ± 0.0016 Å
• α: 90°
• β: 95.039 ± 0.003°
• γ: 90°
• Cell volume: 3369.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0227
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No