Information card for entry 7248688

Structure parameters

• Formula: C24 H48 K2 O20 Re2
• Calculated formula: C24 H48 K2 O20 Re2
• Title of publication: Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)
• Authors of publication: Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiaoming
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.3113 ± 0.0002 Å
• b: 15.5506 ± 0.0004 Å
• c: 14.6792 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1897.22 ± 0.08 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108.15 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No