Information card for entry 7001526

Structure parameters

• Formula: C40 H35 Au2 Cl3 F6 N2 O11 P2 S2
• Calculated formula: C40 H35 Au2 Cl3 F6 N2 O11 P2 S2
• SMILES: [Au]([P](C[P]([Au][n]1ccc(cc1)C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(=O)O.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl.O
• Title of publication: Isolation of cationic digold-frame with free carboxylic acid pendants
• Authors of publication: Teo, Peili; Wang, Jing; Koh, L. L.; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 5009 - 5014
• a: 21.6477 ± 0.0017 Å
• b: 13.0358 ± 0.001 Å
• c: 18.1681 ± 0.0015 Å
• α: 90°
• β: 101.712 ± 0.002°
• γ: 90°
• Cell volume: 5020.2 ± 0.7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 9
• 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: 0.1038
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No