Information card for entry 1516866

Structure parameters

• Formula: C18 H12 I2 N2 O2 Pb2
• Calculated formula: C18 H12 I2 N2 O2 Pb2
• SMILES: [Pb]12(I)[O]([Pb]3(I)[O]1c1cccc4ccc[n]3c14)c1c3[n]2cccc3ccc1
• Title of publication: Fabrication of an organic light-emitting diode (OLED) from a two-dimensional lead(II) coordination polymer
• Authors of publication: Ezzatollah Najafi; Mostafa M. Amini; Ezeddin Mohajerani; Mohammad Janghouri; Hossein Razavi; Hamidreza Khavasi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 119 - 125
• a: 9.4814 ± 0.0019 Å
• b: 11.835 ± 0.002 Å
• c: 17.835 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2001.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No