Information card for entry 7226600

Structure parameters

• Formula: C6 H8 Br3 N Pb
• Calculated formula: C6 H8 Br3 N 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: 9.2804 ± 0.0007 Å
• b: 8.029 ± 0.0004 Å
• c: 15.4764 ± 0.0012 Å
• α: 90°
• β: 103.89 ± 0.006°
• γ: 90°
• Cell volume: 1119.46 ± 0.14 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 5
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No