Information card for entry 4319479

Structure parameters

• Formula: B Cl6.43 I6.8 Zr6
• Calculated formula: B Cl6.44 I6.67 Zr6
• Title of publication: [(Zr6B)Cl11-xI2+x] (0 <=x<= 6): A New Mixed-Halide Structure with Zigzag Chains of Clusters in Multiply Twinned Crystals
• Authors of publication: Martin Köckerling; Johannes B. Willems; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1439 - 1444
• a: 12.365 ± 0.002 Å
• b: 15.485 ± 0.003 Å
• c: 13.405 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No