Information card for entry 7247917

Structure parameters

• Formula: C5 H14 Br3 Cd N
• Calculated formula: C5 H14 Br3 Cd N
• Title of publication: Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.
• Authors of publication: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 3974 - 3980
• a: 7.6486 ± 0.0003 Å
• b: 16.7161 ± 0.0008 Å
• c: 9.7365 ± 0.0004 Å
• α: 90°
• β: 100.265 ± 0.004°
• γ: 90°
• Cell volume: 1224.93 ± 0.09 ų
• Cell temperature: 313 ± 2 K
• Ambient diffraction temperature: 313 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No