Information card for entry 7058743

Structure parameters

• Formula: C48.18 H42.36 Au2 Cl0.36 O2 P2
• Calculated formula: C48.18 H42.36 Au2 Cl0.36 O2 P2
• Title of publication: Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers
• Authors of publication: Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13741
• a: 9.0271 ± 0.0002 Å
• b: 15.4167 ± 0.0003 Å
• c: 33.6004 ± 0.0007 Å
• α: 90°
• β: 90.243 ± 0.002°
• γ: 90°
• Cell volume: 4676.06 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No