Information card for entry 7124091

Structure parameters

• Formula: C16 H64 Cu5 N16 Na4 O68 Ta12
• Calculated formula: C16 H64 Cu5 N16 Na4 O68 Ta12
• Title of publication: Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water
• Authors of publication: Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.1771 ± 0.0015 Å
• b: 14.1882 ± 0.0015 Å
• c: 15.5444 ± 0.0017 Å
• α: 92.667 ± 0.002°
• β: 100.54 ± 0.002°
• γ: 110.664 ± 0.002°
• Cell volume: 2653.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No