Information card for entry 4080904

Structure parameters

• Formula: C59 H65 Au3 Cl3 Cu F6 O3 P4
• Calculated formula: C59 H65 Au3 Cl3 Cu F6 O3 P4
• SMILES: [Au]1[P](C2[P]([Au][C]([Cu]([C]1#C[C@@](C)(C(C)C)O)[C]([Au][P]2(c1ccccc1)c1ccccc1)#C[C@](C)(C(C)C)O)#C[C@](C)(C(C)C)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl.[Au]1[P](C2[P]([Au][C]([Cu]([C]1#C[C@](C)(C(C)C)O)[C]([Au][P]2(c1ccccc1)c1ccccc1)#C[C@@](C)(C(C)C)O)#C[C@@](C)(C(C)C)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl
• Title of publication: Toward Luminescence Vapochromism of Tetranuclear AuI–CuIClusters
• Authors of publication: Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4061
• a: 14.9267 ± 0.0009 Å
• b: 16.8107 ± 0.0011 Å
• c: 17.3211 ± 0.0011 Å
• α: 117.475 ± 0.001°
• β: 110.611 ± 0.001°
• γ: 93.073 ± 0.001°
• Cell volume: 3485.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No