Information card for entry 7026220

Structure parameters

• Formula: C68 H84 Au2 N4 O
• Calculated formula: C68 H76 Au2 N4 O
• Title of publication: A versatile gold synthon for acetylene C-H bond activation.
• Authors of publication: Fortman, George C.; Poater, Albert; Levell, Jack W.; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cavallo, Luigi; Nolan, Steven P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 43
• Pages of publication: 10382 - 10390
• a: 20.969 ± 0.007 Å
• b: 14.209 ± 0.004 Å
• c: 23.049 ± 0.011 Å
• α: 90°
• β: 112.49 ± 0.007°
• γ: 90°
• Cell volume: 6345 ± 4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No