Information card for entry 7235186

Structure parameters

• Formula: C15 H22 Mn N9 P
• Calculated formula: C15 H22 Mn N9 P
• Title of publication: Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations
• Authors of publication: Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 1529 - 1536
• a: 10.496 ± 0.002 Å
• b: 12.396 ± 0.003 Å
• c: 16.254 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No