Information card for entry 7105710

Structure parameters

• Formula: C152 H142 Au8 F12 N2 O5 P10
• Calculated formula: C152 H142 Au8 F12 N2 O5 P10
• SMILES: [Au]123[Au]45[Au]67[Au]1([P](c1ccc([P]([Au]89[Au]%10([Au]%11([Au]8([P](c8ccc([P]6(c6ccccc6)c6ccccc6)cc8)(c6ccccc6)c6ccccc6)[C]9%10%11C(=O)c6ccccc6)[P](c6ccccc6)(c6ccccc6)c6ccc([P]4(c4ccccc4)c4ccccc4)cc6)[P](c4ccc([P]2(c2ccccc2)c2ccccc2)cc4)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1)[C]357C(=O)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.O(CC)CC.O(CC)CC.N#CC.N#CC
• Title of publication: Assembly of the Au–diphosphine helical cage molecules via alkynyl–?4-methylydine ligand transformation (C152 H142 Au8 F12 N2 O5 P10 and C155 H112 Au8 Cl6 F12 O2 P10)
• Authors of publication: Igor Koshevoy; Matti Haukka; Stanislav Selivanov; Sergey Tunik; Tapani Pakkanen
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8926
• a: 15.7044 ± 0.0002 Å
• b: 15.9465 ± 0.0002 Å
• c: 17.4245 ± 0.0002 Å
• α: 69.282 ± 0.007°
• β: 75.031 ± 0.007°
• γ: 63.004 ± 0.006°
• Cell volume: 3611.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No