Information card for entry 7227957

Structure parameters

• Formula: C18 H21 Bi2 I9 N6 O0
• Calculated formula: C18 H21 Bi2 I9 N6
• SMILES: [Bi]12(I)(I)(I)[I][Bi]([I]1)([I]2)(I)(I)I.n1(cc[n+](c1)c1cc([n+]2cn(cc2)C)cc([n+]2ccn(c2)C)c1)C
• Title of publication: New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)
• Authors of publication: Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 31
• Pages of publication: 19073
• a: 12.485 ± 0.003 Å
• b: 13.08 ± 0.003 Å
• c: 23.566 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3848.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No