Information card for entry 7252069

Structure parameters

• Formula: C6 H15 Br3 N4 O2 Zn
• Calculated formula: C6 H15 Br3 N4 O2 Zn
• Title of publication: Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine
• Authors of publication: Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 3041 - 3045
• a: 7.4884 ± 0.0013 Å
• b: 7.9533 ± 0.0018 Å
• c: 23.224 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1383.2 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No