Information card for entry 7249940

Structure parameters

• Chemical name: 1
• Formula: C10 H20 Cl6 Mn2 N2
• Calculated formula: C10 H20 Cl6 Mn2 N2
• Title of publication: High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals
• Authors of publication: Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 1534 - 1540
• a: 6.3709 ± 0.0003 Å
• b: 16.9377 ± 0.0009 Å
• c: 18.33 ± 0.001 Å
• α: 90°
• β: 97.538 ± 0.005°
• γ: 90°
• Cell volume: 1960.87 ± 0.18 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 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: 0.1
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No