Information card for entry 2300487

Structure parameters

• Formula: Br0.09 Cl0.91 Cu6 O8 Pb
• Calculated formula: Br0.089 Cl0.911 Cu6 O8 Pb
• Title of publication: Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
• Authors of publication: Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 1
• a: 9.216 ± 0.002 Å
• b: 9.216 ± 0.002 Å
• c: 9.216 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 782.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes