Information card for entry 7225560

Structure parameters

• Formula: C13 H12 Br2 N4 O Pb
• Calculated formula: C13 H12 Br2 N4 O Pb
• 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: 8.2036 ± 0.0011 Å
• b: 8.7101 ± 0.0012 Å
• c: 10.9517 ± 0.0015 Å
• α: 100.39 ± 0.003°
• β: 92.092 ± 0.003°
• γ: 94.892 ± 0.003°
• Cell volume: 765.83 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No