Information card for entry 7123473

Structure parameters

• Chemical name: [Au2(IPr)2-H][(HOCO)2(Bpin)]
• Formula: C63 H89 Au2 B N4 O8
• Calculated formula: C63 H89 Au2 B N4 O8
• Title of publication: Synthesis and Reactivity of [Au(NHC)(Bpin)] Complexes
• Authors of publication: Nolan, Steven P.; zinser, caroline; Falivene, Laura; Nahra, Fady; brill, marcel; Cordes, David Bradford; Slawin, Alexandra; Cavallo, Luigi; Cazin, Catherine
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.5934 ± 0.0018 Å
• b: 15.2396 ± 0.0015 Å
• c: 27.251 ± 0.003 Å
• α: 90°
• β: 100.496 ± 0.004°
• γ: 90°
• Cell volume: 6367.5 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No