Information card for entry 4304546

Structure parameters

• Formula: C80 H66 Au2 N8 O8 P4
• Calculated formula: C80 H66 Au2 N8 O8 P4
• SMILES: c12cccc3Nc4cccc([P](c5ccccc5)(c5ccccc5)[Au]5[Au]([P]1(c1ccccc1)c1ccccc1)[P](c1cccc6Nc7cccc([P]5(c5ccccc5)c5ccccc5)c7Oc16)(c1ccccc1)c1ccccc1)c4Oc23.N(=O)(=O)[O-].N#CC.N#CC.N(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Solvent-Assisted Spontaneous Resolution of a 16-Membered Ring Containing Gold(I) Showing Short Au...Au Aurophilic Interaction and a Figure-Eight Conformation
• Authors of publication: Tünde Tunyogi; Andrea Deák; Gábor Tárkányi; Péter Király; Gábor Pálinkás
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2049 - 2055
• a: 21.985 ± 0.005 Å
• b: 15.655 ± 0.003 Å
• c: 22.109 ± 0.004 Å
• α: 90°
• β: 108.665 ± 0.008°
• γ: 90°
• Cell volume: 7209 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No