Information card for entry 7244198

Structure parameters

• Formula: C8 H17 Br N2 O8 Re2
• Calculated formula: C8 H17 Br N2 O8 Re2
• SMILES: [Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].[NH+]12CC[N+](CC2)(CC1)CCBr
• 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: 7.6333 ± 0.0013 Å
• b: 8.2742 ± 0.0014 Å
• c: 13.236 ± 0.002 Å
• α: 90.191 ± 0.002°
• β: 93.865 ± 0.002°
• γ: 109.561 ± 0.002°
• Cell volume: 785.6 ± 0.2 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: 0.0257
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No