Information card for entry 7244199

Structure parameters

• Formula: C8 H17 Cl N2 O8 Re2
• Calculated formula: C8 H17 Cl N2 O8 Re2
• Title of publication: High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties
• Authors of publication: Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 782 - 787
• a: 8.8362 ± 0.0005 Å
• b: 12.7362 ± 0.0005 Å
• c: 13.7512 ± 0.0005 Å
• α: 91.289 ± 0.002°
• β: 94.366 ± 0.002°
• γ: 96.252 ± 0.002°
• Cell volume: 1533.15 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No