Information card for entry 7031218

Structure parameters

• Formula: C26 H78 Ag8 I16 N18 O6 Pb6
• Calculated formula: C26 H78 Ag8 I16 N18 O6 Pb6
• SMILES: C1C[NH]2CC[NH2][Pb]2([NH2]1)[O]=C(O[Pb]12[NH2]CC[NH]1CC[NH2]2)O[Pb]12[NH2]CC[NH]1CC[NH2]2.[NH2]1CC[NH]2CC[NH2][Pb]12[O]=C(O[Pb]12[NH](CC[NH2]2)CC[NH2]1)O[Pb]12[NH](CC[NH2]2)CC[NH2]1.[I]12345[Ag]67[I][Ag]81[I][Ag]12[I][Ag]24[I][Ag]3([I][Ag]5([I]7)[I][Ag]([I]8)(I)[I]2)[I][Ag]([I]6)(I)[I]1.[I-]
• Title of publication: Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.
• Authors of publication: Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9116 - 9125
• a: 12.4185 ± 0.0011 Å
• b: 12.4185 ± 0.0011 Å
• c: 32.218 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4303 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No