Information card for entry 7225558

Structure parameters

• Formula: C54 H48 Br4 N8 Pb2
• Calculated formula: C54 H48 Br4 N8 Pb2
• SMILES: [Pb]1234([Br][Pb]567([Br]4)(Br)[n]4ccccc4C(=[N]5CCC[N]6=C(c4ccccc4)c4cccc[n]74)c4ccccc4)(Br)[n]4ccccc4C(=[N]1CCC[N]2=C(c1ccccc1)c1cccc[n]31)c1ccccc1
• Title of publication: Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study
• Authors of publication: Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.1876 ± 0.0004 Å
• b: 10.6582 ± 0.0004 Å
• c: 12.8044 ± 0.0005 Å
• α: 94.099 ± 0.001°
• β: 103.293 ± 0.001°
• γ: 105.08 ± 0.002°
• Cell volume: 1293.66 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No