Information card for entry 7212007

Structure parameters

• Common name: bis(6-iodohexylammonium)tetraiodoplumbste(ii)
• Chemical name: bis(6-iodohexylammonium)tetraiodoplumbste(II)
• Formula: C12 H30 I6 N2 Pb
• Calculated formula: C12 H30 I6 N2 Pb
• 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: 9.2206 ± 0.0004 Å
• b: 8.8513 ± 0.0004 Å
• c: 31.9795 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2610 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No