Information card for entry 4515006

Structure parameters

• Formula: C36 H44 Bi2 I10 N8
• Calculated formula: C36 H44 Bi2 I10 N8
• SMILES: c1cc2ccc1Cn1cc[n+](c1)CCCCn1cc[n+](c1)Cc1ccc(cc1)Cn1cc[n+](c1)CCCCn1cc[n+](c1)C2.I[Bi]1(I)(I)([I][Bi](I)(I)([I]1)(I)I)I
• Title of publication: Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.
• Authors of publication: Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 8926 - 8934
• a: 10.4446 ± 0.0006 Å
• b: 22.4097 ± 0.001 Å
• c: 12.5907 ± 0.0007 Å
• α: 90°
• β: 114.216 ± 0.007°
• γ: 90°
• Cell volume: 2687.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No