Information card for entry 7034885

Structure parameters

• Formula: C108 H138 Bi8 I28 N14 Na4 O24
• Calculated formula: C108 H138 Bi8 I28 N14 Na4 O24
• SMILES: [Bi]12(I)([I][Bi]3([I][Bi]([I]3)(I)(I)I)([I]2)I)[I][Bi]([I]1)(I)(I)I.[Na]12345([O]6CC[O]4CC[O]1c1ccccc1[O]3CC[O]5CC[O]2c1ccccc61)([N]#CC)[N]CC.[Na]12345([O]6c7c([O]2CC[O]3CC[O]1c1c([O]4CC[O]5CC6)cccc1)cccc7)([N]CC)[N]#CC.CC#N.N#CC.N#CC
• Title of publication: A step closer to the binary: the [Bi6I20](2-) anion.
• Authors of publication: Heine, Johanna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 10069 - 10077
• a: 13.7807 ± 0.0006 Å
• b: 14.9735 ± 0.0007 Å
• c: 23.0161 ± 0.0009 Å
• α: 85.62 ± 0.003°
• β: 88.702 ± 0.003°
• γ: 74.572 ± 0.003°
• Cell volume: 4564.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No