Information card for entry 7046322

Structure parameters

• Formula: C52 H72 Au2 B2 N4
• Calculated formula: C52 H72 Au2 B2 N4
• 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: 15.638 ± 0.0004 Å
• b: 18.9977 ± 0.0005 Å
• c: 16.7378 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4972.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No