Information card for entry 4515004

Structure parameters

• Formula: C36 H44 Bi2 I10 N8
• Calculated formula: C36 H44 Bi2 I10 N8
• SMILES: c12ccccc1Cn1cc[n+](c1)CCCCn1cc[n+](c1)Cc1ccccc1Cn1cc[n+](c1)CCCCn1cc[n+](c1)C2.I[Bi]1([I][Bi](I)([I]1)(I)(I)I)(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: 11.8609 ± 0.0005 Å
• b: 12.0302 ± 0.0006 Å
• c: 12.3115 ± 0.0005 Å
• α: 118.515 ± 0.005°
• β: 101.244 ± 0.004°
• γ: 106.977 ± 0.004°
• Cell volume: 1354.45 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No