Information card for entry 7719367

Structure parameters

• Formula: C12 H12 Br5 N2 O4 Sb
• Calculated formula: C12 H12 Br5 N2 O4 Sb
• Title of publication: Strong second-harmonic generation response in an organic-inorganic hybrid antimony bromide.
• Authors of publication: Wen, Xuemei; Yi, Gangji; Zhong, Qinglan; Guo, Caihong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 11812 - 11816
• a: 14.0673 ± 0.0008 Å
• b: 19.4421 ± 0.0008 Å
• c: 8.0411 ± 0.0006 Å
• α: 90°
• β: 98.518 ± 0.003°
• γ: 90°
• Cell volume: 2175 ± 0.2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No