Information card for entry 7026725

Structure parameters

• Formula: C20 H60 I15 N5 O5 Pb4
• Calculated formula: C20 H60 I15 N5 O5 Pb4
• SMILES: C1COCC[NH2+]1.C1C[OH+]CC[NH2+]1.C1OCC[NH2+]C1.I[Pb]12(I)(I)[I][Pb]34([I]1)([I]2)[I][Pb]12([I]3)([I]4)[I][Pb]([I]1)([I]2)(I)(I)I.C1COCC[NH2+]1.C1C[OH+]CC[NH2+]1
• Title of publication: Hybrid polymeric iodoplumbates constructed from morpholine and its derivatives: structures and properties.
• Authors of publication: Li, Hao-Hong; Chen, Zhi-Rong; Cheng, Li-Chuan; Wang, Yun-Jie; Feng, Miao; Wang, Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11000 - 11007
• a: 34.7456 ± 0.0017 Å
• b: 23.7703 ± 0.001 Å
• c: 9.0704 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7491.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No