Information card for entry 4345877

Structure parameters

• Formula: C54 Br18 N6 Pb6
• Calculated formula: C54 Br18 N6 Pb6
• SMILES: c1cc(c2cc[n+](cc2)CCCC)cc[n+]1CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.[Br-].[Br]([Pb](Br)(Br)Br)[Pb]([Br][Pb](Br)Br)Br.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.Br[Pb](Br)([Br][Pb]([Br][Pb](Br)Br)Br)Br.[Br-]
• 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: 15.779 ± 0.003 Å
• b: 24.507 ± 0.005 Å
• c: 11.845 ± 0.002 Å
• α: 90°
• β: 105.01 ± 0.002°
• γ: 90°
• Cell volume: 4424.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No