Information card for entry 1575987

Structure parameters

• Formula: C36 H30 Cl4 Mn S2
• Calculated formula: C36 H30 Cl4 Mn S2
• Title of publication: Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.
• Authors of publication: Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 21423 - 21432
• a: 9.29 ± 0.0003 Å
• b: 17.7124 ± 0.0005 Å
• c: 21.3537 ± 0.0005 Å
• α: 90°
• β: 99.555 ± 0.001°
• γ: 90°
• Cell volume: 3464.97 ± 0.17 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0421
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No