Information card for entry 2013966

Structure parameters

• Chemical name: Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)
• Formula: C10 H32 I10 N4 Pb3
• Calculated formula: C10 H32 I10 N4 Pb3
• SMILES: C(CCCC[NH3+])[NH3+].C(CCCC[NH3+])[NH3+].C(CCCC[NH3+])[NH3+].I[Pb]12(I)(I)[I][Pb]3(I)([I]1)([I]2)[I][Pb]12(I)([I]3)[I][Pb]45([I]1)([I]2)[I][Pb]1(I)([I]4)([I]5)[I][Pb]([I]1)I.C(CCCC[NH3+])[NH3+]
• Title of publication: Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)
• Authors of publication: Billing, David G.; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m224 - m226
• a: 8.8543 ± 0.0015 Å
• b: 11.1457 ± 0.0019 Å
• c: 11.5725 ± 0.0019 Å
• α: 109.624 ± 0.003°
• β: 106.173 ± 0.003°
• γ: 107.339 ± 0.003°
• Cell volume: 931.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No