Information card for entry 7061930

Structure parameters

• Formula: C3 H11 Cl3 Mn N2
• Calculated formula: C3 H11 Cl3 Mn N2
• Title of publication: Two manganese chloride organic–inorganic hybrid compounds showing strong luminescence and switchable phase transition and dielectric anomaly
• Authors of publication: You, Xiuli; Wang, Lingyu; Peng, Ziqin; Wei, Zhenhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 20005 - 20009
• a: 6.395 ± 0.002 Å
• b: 9.493 ± 0.003 Å
• c: 14.804 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 898.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No