Information card for entry 7249941

Structure parameters

• Formula: C5 H10 Cl3 Mn N
• Calculated formula: C5 H10 Cl3 Mn N
• 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: 14.6427 ± 0.0016 Å
• b: 6.494 ± 0.0008 Å
• c: 10.999 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1045.9 ± 0.3 ų
• Cell temperature: 428 ± 0.1 K
• Ambient diffraction temperature: 428 ± 0.1 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: 0.3271
• Residual factor for significantly intense reflections: 0.2541
• Weighted residual factors for significantly intense reflections: 0.3984
• Weighted residual factors for all reflections included in the refinement: 0.4352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No