Information card for entry 1570896

Structure parameters

• Formula: C30 H43 Br2 Co N8 O8
• Calculated formula: C30 H43 Br2 Co N8 O8
• Title of publication: Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6
• Authors of publication: Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi
• Journal of publication: Crystals
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 87
• a: 8.566 ± 0.003 Å
• b: 9.831 ± 0.004 Å
• c: 11.508 ± 0.004 Å
• α: 75.764 ± 0.004°
• β: 79.755 ± 0.004°
• γ: 88.092 ± 0.004°
• Cell volume: 924.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0579
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No