Information card for entry 7126432

Structure parameters

• Formula: B Cl7 O4 Pb6
• Calculated formula: B Cl7 O4 Pb6
• Title of publication: Ba₆BO₃Cl₉ and Pb₆BO₄Cl₇: structural insights into ortho-borates with uncondensed BO₄ tetrahedra.
• Authors of publication: Li, Wei; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 45
• Pages of publication: 6086 - 6089
• a: 8.001 ± 0.003 Å
• b: 8.054 ± 0.003 Å
• c: 13.116 ± 0.005 Å
• α: 89.522 ± 0.013°
• β: 89.663 ± 0.014°
• γ: 69.942 ± 0.012°
• Cell volume: 793.9 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No