Information card for entry 4332125

Structure parameters

• Formula: C108 H90 Cu6 I8 P6 Pb
• Calculated formula: C108 H90 Cu6 I8 P6 Pb
• SMILES: [Pb]1234([I]5[Cu]6([I]3[Cu]3([I]1[Cu]5([I]63)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[I]1[Cu]3([I]4[Cu]4([I]2[Cu]1([I]34)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Crystal Structures, and Properties of Heterometallic Iodoplumbates: Bicubane, Ribbon, and Chain Configurations
• Authors of publication: Fan, Le-Qing; Wu, Li-Ming; Chen, Ling
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3149 - 3151
• a: 13.3978 ± 0.0014 Å
• b: 13.4764 ± 0.0014 Å
• c: 17.5502 ± 0.0018 Å
• α: 70.072 ± 0.004°
• β: 68.74 ± 0.004°
• γ: 66.061 ± 0.003°
• Cell volume: 2628.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No