Information card for entry 4080905

Structure parameters

• Formula: C83 H68 Au3 Cu F6 O4 P4
• Calculated formula: C83 H68 Au3 Cu F6 O4 P4
• SMILES: [Au]([C]1#[C](C(c2ccccc2)(c2ccccc2)O)[Cu]123([C]([Au]1)#[C]2C(c2ccccc2)(c2ccccc2)O)[C]([Au]2)#[C]3C(c3ccccc3)(c3ccccc3)O)[P](C([P]1(c1ccccc1)c1ccccc1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.CO.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.6977 ± 0.0005 Å
• b: 21.4438 ± 0.0009 Å
• c: 29.1247 ± 0.0012 Å
• α: 90°
• β: 98.588 ± 0.001°
• γ: 90°
• Cell volume: 7223.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No