Information card for entry 7132871

Structure parameters

• Chemical name: tetrakis(N,N'-dioxide-2,2'-bipyridyl)lutetium(III) tetracyanoaurate(III) hydrate
• Formula: C52 H34.66 Au3 Lu N20 O9.33
• Calculated formula: C52 H34.658 Au3 Lu N20 O9.329
• 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: 19.9815 ± 0.0012 Å
• b: 23.8662 ± 0.0012 Å
• c: 23.8919 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11393.6 ± 1.1 ų
• Cell temperature: 100.07 K
• Ambient diffraction temperature: 100.07 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: 0.0808
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No