Information card for entry 4115934

Structure parameters

• Chemical name: (K-crypt)2Bi2
• Formula: C36 H72 Bi2 K2 N4 O12
• Calculated formula: C36 H72 Bi2 K2 N4 O12
• SMILES: [Bi-][Bi-].[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8
• Title of publication: A Naked Diatomic Molecule of Bismuth, [Bi2]2-, with a Short Bi-Bi Bond: Synthesis and Structure
• Authors of publication: Li Xu; Svilen Bobev; Jaouad El-Bahraoui; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 1838 - 1839
• a: 12.22 ± 0.001 Å
• b: 12.22 Å
• c: 28.927 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3740.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No