Information card for entry 7212009

Structure parameters

• Common name: (2,2'-dithiodiethanammonium)tetraiodoplumbate(ii)
• Chemical name: (2,2'-dithiodiethanammonium)tetraiodoplumbate(II)
• Formula: C8 H28 I8 N4 Pb2 S4
• Calculated formula: C8 H28 I8 N4 Pb2 S4
• Title of publication: Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]
• Authors of publication: Lemmerer, Andreas; Billing, David G.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1290
• a: 17.795 ± 0.001 Å
• b: 8.5195 ± 0.0007 Å
• c: 23.1666 ± 0.0015 Å
• α: 90°
• β: 98.719 ± 0.005°
• γ: 90°
• Cell volume: 3471.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No