Information card for entry 4321572

Structure parameters

• Common name: (Na-crypt)3[In4Bi5]
• Formula: C54 H108 Bi5 In4 N6 Na3 O18
• Calculated formula: C54 H108 Bi5 In4 N6 Na3 O18
• SMILES: [Bi]123[In]45[In]63[Bi]37[In]82[In]21[Bi]4([Bi]382)[Bi]567.[Na]1234567[N]89CC[O]3CC[O]2CC[N]1(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[Na]1234567[N]89CC[O]3CC[O]2CC[N]1(CC[O]6CC[O]7CC9)CC[O]4CC[O]5CC8.[Na]1234567[N]89CC[O]6CC[O]7CC[N]1(CC[O]5CC[O]4CC8)CC[O]3CC[O]2CC9
• Title of publication: Heteroatomic Deltahedral Clusters of Main-Group Elements: Synthesis and Structure of the Zintl Ions [In4Bi5]3-, [InBi3]2-, and [GaBi3]2-
• Authors of publication: Li Xu; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5383 - 5389
• a: 23.572 ± 0.006 Å
• b: 15.042 ± 0.004 Å
• c: 24.071 ± 0.004 Å
• α: 90°
• β: 106 ± 0.03°
• γ: 90°
• Cell volume: 8204 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1921
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No