Information card for entry 7044410

Structure parameters

• Formula: C48 H32 Cu2 I10 N8 Pb3
• Calculated formula: C48 H32 Cu2 I10 N8 Pb3
• SMILES: c1ccc2c3c4[n](cccc4cc2)[Cu]2([n]13)([n]1cccc3c1c1[n]2cccc1cc3)[I][Pb]12(I)[I][Pb]34([I]1)([I]2)[I][Pb](I)([I]3)([I]4)[I][Cu]12([n]3cccc4c3c3c(cc4)ccc[n]13)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: [Pb3Cu2I10(phen)4]n: A novel organic-inorganic hybrid ferromagnetic semiconductor
• Authors of publication: Fan, Le-Qing; Jin, Xin; Li, Dongxu; Tian, Chong-Bin; Wu, Jihuai
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.0188 ± 0.0006 Å
• b: 15.3408 ± 0.0006 Å
• c: 16.2776 ± 0.0007 Å
• α: 90°
• β: 112.263 ± 0.005°
• γ: 90°
• Cell volume: 3008.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No