Information card for entry 7017475

Structure parameters

• Common name: bis(octylammonium)tetraiodoplumbate(ii) PHASE III
• Chemical name: bis(octylammonium)tetraiodoplumbate(II) PHASE III
• Formula: C16 H40 I4 N2 Pb
• Calculated formula: C16 H40 I4 N2 Pb
• Title of publication: Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.
• Authors of publication: Lemmerer, Andreas; Billing, David G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1146 - 1157
• a: 8.4542 ± 0.0009 Å
• b: 8.9916 ± 0.001 Å
• c: 18.738 ± 0.003 Å
• α: 90°
• β: 96.301 ± 0.008°
• γ: 90°
• Cell volume: 1415.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.41
• Weighted residual factors for all reflections included in the refinement: 0.4379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No