Information card for entry 7133157

Structure parameters

• Formula: C6 H22 Br5 In N2 O2
• Calculated formula: C6 H22 Br5 In N2 O2
• Title of publication: Synthesis and Soft Crystal Structure-Induced Broad Emission in (NH3C6H12NH3)InBr5·2H2O
• Authors of publication: Biswas, Shuva; Mandal, Arnab; Swain, Diptikanta; Biswas, Kanishka
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 7.8333 ± 0.0013 Å
• b: 20.223 ± 0.003 Å
• c: 10.9317 ± 0.0017 Å
• α: 90°
• β: 91.232 ± 0.007°
• γ: 90°
• Cell volume: 1731.3 ± 0.5 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 6
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No