Information card for entry 4080902

Structure parameters

• Formula: C62 H66 Au3 Cl2 Cu F6 P4
• Calculated formula: C62 H66 Au3 Cl2 Cu F6 P4
• SMILES: C12[P](c3ccccc3)(c3ccccc3)[Au][C]3#[C](C4CCCCC4)[Cu]435([C](#[C]4C3CCCCC3)[Au][P]1(c1ccccc1)c1ccccc1)[C](#[C]5C1CCCCC1)[Au][P]2(c1ccccc1)c1ccccc1.C(Cl)Cl.[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: 19.184 ± 0.001 Å
• b: 17.092 ± 0.0009 Å
• c: 19.6003 ± 0.001 Å
• α: 90°
• β: 106.77 ± 0.001°
• γ: 90°
• Cell volume: 6153.5 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No