Information card for entry 7227959

Structure parameters

• Formula: C36 H46 I12 N12 O2 Pb3
• Calculated formula: C36 H42 I12 N12 O2 Pb3
• SMILES: c1n(c[n+](c1)c1cc([n+]2ccn(c2)C)cc([n+]2ccn(c2)C)c1)C.I[Pb]12(I)(I)[I][Pb]34([I]1)([I]2)[I][Pb]([I]3)([I]4)(I)(I)I.O.c1c[n+](cn1C)c1cc([n+]2ccn(c2)C)cc([n+]2ccn(c2)C)c1.O
• 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: 12.496 ± 0.003 Å
• b: 20.569 ± 0.004 Å
• c: 12.634 ± 0.003 Å
• α: 90°
• β: 100.16 ± 0.03°
• γ: 90°
• Cell volume: 3196.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No