Information card for entry 4514441

Structure parameters

• Formula: C5 H8 Cl3 Mn N O
• Calculated formula: C5 H8 Cl3 Mn N O
• Title of publication: Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.
• Authors of publication: Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 8039 - 8045
• a: 11.417 ± 0.002 Å
• b: 7.2779 ± 0.0015 Å
• c: 11.817 ± 0.002 Å
• α: 90°
• β: 102.83 ± 0.03°
• γ: 90°
• Cell volume: 957.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0333
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No