Information card for entry 7022798

Structure parameters

• Formula: C72 H72 Au2 F6 N4 O6 P2 S2
• Calculated formula: C72 H72 Au2 F6 N4 O6 P2 S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[C@@H]2CCCN2CCC(=O)N([Au][P](c2ccccc2)(c2ccccc2)C[C@@H]2CCCN2CCC(=O)N([Au]1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Insights into the mechanism for gold catalysis: behaviour of gold(I) amide complexes in solution.
• Authors of publication: Bobin, Mariusz; Day, Iain J.; Roe, Stephen M.; Viseux, Eddy M. E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6592 - 6602
• a: 10.5355 ± 0.0003 Å
• b: 11.8539 ± 0.0004 Å
• c: 15.7927 ± 0.0005 Å
• α: 94.235 ± 0.002°
• β: 100.106 ± 0.001°
• γ: 112.49 ± 0.002°
• Cell volume: 1772.35 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No