Information card for entry 7225561

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: 9.3608 ± 0.0003 Å
• b: 16.1741 ± 0.0006 Å
• c: 10.6812 ± 0.0004 Å
• α: 90°
• β: 99.959 ± 0.003°
• γ: 90°
• Cell volume: 1592.79 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No