Information card for entry 4345747

Structure parameters

• Formula: C108 Br30 N12 Pb9
• Calculated formula: C108 Br30 N12 Pb9
• SMILES: [Pb]12345[Br][Pb]6([Br][Pb]([Br]5)([Br][Pb]([Br][Pb]([Br]2)(Br)(Br)[Br][Pb]([Br]1)([Br]3)(Br)([Br][Pb]([Br]6)(Br)Br)Br)(Br)Br)(Br)Br)(Br)(Br)[Br]4.[Pb](Br)(Br)[Br-].[Pb](Br)(Br)[Br-].c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC
• Title of publication: Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert One-Dimensional Viologen Bromoplumbate into Zero-Dimensional.
• Authors of publication: Liu, Guangfeng; Liu, Jie; Nie, Lina; Ban, Rui; Armatas, Gerasimos S.; Tao, Xutang; Zhang, Qichun
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5498 - 5501
• a: 30.6471 ± 0.0004 Å
• b: 24.3702 ± 0.0003 Å
• c: 21.9002 ± 0.0003 Å
• α: 90°
• β: 102.19 ± 0.001°
• γ: 90°
• Cell volume: 15987.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No