Information card for entry 7207476

Structure parameters

• Chemical name: tetrakis(1,7-diammoniumheptane)dodecaiodotriplumbate(II) diiodide
• Formula: C28 H80 I14 N8 Pb3
• Calculated formula: C28 H80 I14 N8 Pb3
• Title of publication: Lead halide inorganic‒organic hybrids incorporating diammonium cations
• Authors of publication: Lemmerer, Andreas; Billing, David G.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1954
• a: 11.639 ± 0.003 Å
• b: 11.877 ± 0.003 Å
• c: 13.828 ± 0.003 Å
• α: 68.68 ± 0.005°
• β: 71.022 ± 0.005°
• γ: 86.892 ± 0.004°
• Cell volume: 1679.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No