Information card for entry 7129523

Structure parameters

• Formula: C4 H12 Cl3 Mn N O
• Calculated formula: C4 H12 Cl3 Mn N O
• Title of publication: Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal
• Authors of publication: Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.837 ± 0.002 Å
• b: 6.5021 ± 0.001 Å
• c: 10.2026 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 984.3 ± 0.2 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 2 K
• Number of distinct elements: 6
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No