Information card for entry 7054584

Structure parameters

• Formula: C2 H8 B3 N2 O9 Zn4
• Calculated formula: C2 H8 B3 N2 O9 Zn4
• Title of publication: Zn4B3O9C2H8N2: an organic‒inorganic hybrid borate with a novel graphene-like layer
• Authors of publication: Jiang, Xiangzhan; Yang, Yun; Pan, Shilie; Han, Jian; Dong, Xiaoyu; Zhang, Fangyuan; Yu, Hongwei; Wang, Ying
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 6025
• a: 8.398 ± 0.003 Å
• b: 4.9346 ± 0.0018 Å
• c: 14.205 ± 0.004 Å
• α: 90°
• β: 95.64 ± 0.02°
• γ: 90°
• Cell volume: 585.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No