Information card for entry 7062966

Structure parameters

• Formula: B4 H16 Zr
• Calculated formula: B4 H16 Zr
• Title of publication: Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
• Authors of publication: Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2743 - 2754
• a: 5.955 ± 0.011 Å
• b: 5.955 ± 0.011 Å
• c: 5.955 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 211.2 ± 0.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.0114
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.0272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No