Information card for entry 7212010

Structure parameters

• Common name: bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(ii) iodide
• Chemical name: bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(II) iodide
• Formula: C8 H28 I6 N4 Pb S4
• Calculated formula: C8 H28 I6 N4 Pb 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: 11.3748 ± 0.0002 Å
• b: 8.729 ± 0.0001 Å
• c: 29.2867 ± 0.0004 Å
• α: 90°
• β: 95.004 ± 0.001°
• γ: 90°
• Cell volume: 2896.81 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No