Information card for entry 4306114

Structure parameters

• Formula: C37 H109 I16 N O18 Pb5 S17 Y2
• Calculated formula: C37 H109 I16 N O18 Pb5 S17 Y2
• SMILES: [Pb]12([I]3[Pb]45([I]6[Pb]7([I][Pb]6([I]4)(I)([I]5)[I]7)(I)(I)[O]=S(C)C)[I][Pb]3(I)([I]1)(I)[I]2)(I)(I)[O]=S(C)C.[Y]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Y]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=CN(C)C
• Title of publication: Solid- and Solution Phase Transformations in Novel Hybrid Iodoplumbate Derivatives Templated by Solvated Yttrium Complexes
• Authors of publication: Shashank Mishra; Erwann Jeanneau; Stéphane Daniele; Gilles Ledoux; Prakash N. Swamy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9333 - 9343
• a: 21.0292 ± 0.0002 Å
• b: 15.7685 ± 0.0002 Å
• c: 35.796 ± 0.0004 Å
• α: 90°
• β: 98.4301 ± 0.0006°
• γ: 90°
• Cell volume: 11741.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No