Information card for entry 7226589

Structure parameters

• Formula: C10 H10 Br2 I4 N2 Pb
• Calculated formula: C10 H10 Br2 I4 N2 Pb
• Title of publication: Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature
• Authors of publication: Gómez, Verónica; Fuhr, Olaf; Ruben, Mario
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8207
• a: 12.1436 ± 0.0014 Å
• b: 8.7824 ± 0.0006 Å
• c: 9.4776 ± 0.0011 Å
• α: 90°
• β: 99.676 ± 0.009°
• γ: 90°
• Cell volume: 996.41 ± 0.18 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 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: 0.0782
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No