Information card for entry 4304545

Structure parameters

• Formula: C75 H68 Au2 N4 O12 P4
• Calculated formula: C75 H68 Au2 N4 O12 P4
• SMILES: [Au]12[Au]([P](c3cccc4Nc5cccc([P]1(c1ccccc1)c1ccccc1)c5Oc34)(c1ccccc1)c1ccccc1)[P](c1cccc3Nc4cccc([P]2(c2ccccc2)c2ccccc2)c4Oc13)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].CO.CO.OC.O
• 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: 14.7471 ± 0.0017 Å
• b: 18 ± 0.002 Å
• c: 25.977 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6895.5 ± 1.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No