Information card for entry 4128326

Structure parameters

• Formula: C40 H48 Cl4 K2 Mn O12
• Calculated formula: C40 H48 Cl4 K2 Mn O12
• Title of publication: Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.
• Authors of publication: Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15755 - 15760
• a: 9.418 ± 0.0001 Å
• b: 35.5659 ± 0.0003 Å
• c: 26.6416 ± 0.0002 Å
• α: 90°
• β: 91.008 ± 0.001°
• γ: 90°
• Cell volume: 8922.48 ± 0.14 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 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: 0.0338
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No