Information card for entry 7227958

Structure parameters

• Formula: C36 H42 Ag6 Br0 I12 N12 O0
• Calculated formula: C36 H42 Ag6 I12 N12
• SMILES: [I]1[Ag]23[I]4[Ag]1(I)[I][Ag]4(I)[I]2[Ag]12[I][Ag]4(I)[I][Ag]([I]14)(I)[I]32.n1(C)c[n+](c2cc(cc(c2)[n+]2cn(cc2)C)[n+]2cn(cc2)C)cc1.c1(cc(cc(c1)[n+]1cn(cc1)C)[n+]1cn(cc1)C)[n+]1cn(cc1)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: 11.2094 ± 0.0003 Å
• b: 13.2371 ± 0.0004 Å
• c: 21.8384 ± 0.0005 Å
• α: 90°
• β: 92.965 ± 0.002°
• γ: 90°
• Cell volume: 3236.04 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No