Information card for entry 7116404

Structure parameters

• Formula: C H B N O Zn
• Calculated formula: C1.2 H3.6 B1.6 N0.8 O2.8 Zn0.4
• Title of publication: Zn(1,3-DAP)[B4O7]: a rare chiral zeolitic framework constructed of four-connected [B4O9] clusters with a single-stranded helical channel
• Authors of publication: Chun-Yang Pan; Li-Juan Zhong; Feng-Hua Zhao; Hong-Mei Yang; Jian Zhou
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 753
• a: 8.67 ± 0.004 Å
• b: 8.67 ± 0.004 Å
• c: 12.722 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 956.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.016
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No