Information card for entry 7252082

Structure parameters

• Formula: C21 H24 Cl6 In N6
• Calculated formula: C21 H24 Cl6 In N6
• Title of publication: Doping concentration-dependent structural evolution and blue shift in indium-based organic–inorganic halide hybrids
• Authors of publication: Feng, Xue-Jian; Hao, Jing-Xuan; Wang, Meng-Qi; Pan, Xin-Xin; Zhang, Meng-Yuan; Hao, Hao-Yu; Guo, Dian-Hao; Zhang, Qi; Wu, Yue
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 13.1327 ± 0.0005 Å
• b: 15.7996 ± 0.0006 Å
• c: 27.3097 ± 0.001 Å
• α: 90°
• β: 98.928 ± 0.004°
• γ: 90°
• Cell volume: 5597.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No