Information card for entry 7718827

Structure parameters

• Formula: C9 H12 I2 N6 Zn
• Calculated formula: C9 H12 I2 N6 Zn
• Title of publication: Ligand substitution in organic-inorganic hybrid zinc iodides for second-harmonic generation.
• Authors of publication: Cheng, Juan; Yi, Gangji; Long, Ying; Zhong, Qinglan; Zou, Guohong; Luan, Lindong; Lin, Zhien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10351 - 10357
• a: 9.4368 ± 0.0005 Å
• b: 12.6632 ± 0.0007 Å
• c: 15.0847 ± 0.0008 Å
• α: 78.004 ± 0.002°
• β: 84.54 ± 0.002°
• γ: 70.98 ± 0.002°
• Cell volume: 1666.26 ± 0.16 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No