Information card for entry 7046315

Structure parameters

• Formula: C51 H49 Au B Cl2 F15 N2 S
• Calculated formula: C51 H49 Au B Cl2 F15 N2 S
• Title of publication: Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.
• Authors of publication: Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 7445 - 7455
• a: 45.7252 ± 0.0011 Å
• b: 9.8319 ± 0.0002 Å
• c: 26.8014 ± 0.0007 Å
• α: 90°
• β: 121.195 ± 0.003°
• γ: 90°
• Cell volume: 10306.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No