Information card for entry 1569659

Structure parameters

• Formula: C6 H22 Br6 In N3 O
• Calculated formula: C6 H22 Br6 In N3 O
• Title of publication: 0D hybrid indium halide as a highly efficient X-ray scintillation and ultra-sensitive fluorescent probe.
• Authors of publication: Li, Dong-Yang; Shang, Yan-Bing; Liu, Qi; Zhang, Hua-Wu; Zhang, Xin-Yue; Yue, Cheng-Yang; Lei, Xiao-Wu
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 5004 - 5015
• a: 7.8936 ± 0.0003 Å
• b: 11.084 ± 0.0005 Å
• c: 12.1633 ± 0.0005 Å
• α: 94.554 ± 0.002°
• β: 108.689 ± 0.002°
• γ: 109.006 ± 0.001°
• Cell volume: 932.85 ± 0.07 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No