Information card for entry 4514440

Structure parameters

• Formula: C10 H12 Cl4 Mn N2
• Calculated formula: C10 H12 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccccc1.[nH+]1ccccc1
• 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: 7.6243 ± 0.0015 Å
• b: 8.044 ± 0.0016 Å
• c: 12.562 ± 0.003 Å
• α: 88.72 ± 0.03°
• β: 83.85 ± 0.03°
• γ: 80.07 ± 0.03°
• Cell volume: 754.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No