Information card for entry 7248205

Structure parameters

• Formula: C22 H15 Br2 N3 Zn
• Calculated formula: C22 H15 Br2 N3 Zn
• Title of publication: Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine
• Authors of publication: Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 1819 - 1828
• a: 8.8355 ± 0.0006 Å
• b: 18.3846 ± 0.0011 Å
• c: 13.1961 ± 0.0008 Å
• α: 90°
• β: 90.21 ± 0.002°
• γ: 90°
• Cell volume: 2143.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No