Information card for entry 7011144

Structure parameters

• Formula: B2 H2.24 O5.12 Zn
• Calculated formula: B O2.56 Zn0.5
• Title of publication: An open-framework zincoborate formed by Zn6B12O24 clusters
• Authors of publication: Amitava Choudhury; S. Neeraj; Srinivasan Natarajan; C. N. R. Rao
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1535 - 1538
• a: 11.4101 ± 0.0006 Å
• b: 11.4101 ± 0.0006 Å
• c: 17.1556 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1934.26 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.0692
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No