Information card for entry 7132874

Structure parameters

• Chemical name: tetrakis(N,N'-dioxide-2,2'-bipyridyl)cerium(III) tetracyanoaurate(III) hydrate
• Formula: C52 H34.4 Au3 Ce N20 O9.2
• Calculated formula: C52 H34.398 Au3 Ce N20 O9.199
• Title of publication: Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.
• Authors of publication: Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 29
• Pages of publication: 3914 - 3917
• a: 20.2203 ± 0.0007 Å
• b: 23.8559 ± 0.0008 Å
• c: 23.9799 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11567.3 ± 0.7 ų
• Cell temperature: 100.04 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No