Information card for entry 7132350

Structure parameters

• Formula: C52 H94 Bi6 K2 O8 Y2
• Calculated formula: C52 H94 Bi6 K2 O8 Y2
• Title of publication: Isolation of an organometallic yttrium bismuth cluster and elucidation of its electronic structure.
• Authors of publication: Pugliese, Elizabeth R.; Benner, Florian; Demir, Selvan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 13.3252 ± 0.0003 Å
• b: 16.7323 ± 0.0005 Å
• c: 15.454 ± 0.0005 Å
• α: 90°
• β: 100.961 ± 0.003°
• γ: 90°
• Cell volume: 3382.78 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No