Information card for entry 4349484

Structure parameters

• Chemical name: (Ph3PO)2MnBr2
• Formula: C36 H30 Br2 Mn O2 P2
• Calculated formula: C36 H30 Br2 Mn O2 P2
• SMILES: [Mn](Br)(Br)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Brilliant triboluminescence in a potential organic‒inorganic hybrid ferroelectric: (Ph3PO)2MnBr2
• Authors of publication: Tang, Yuan-Yuan; Wang, Zhong-Xia; Li, Peng-Fei; You, Yu-Meng; Stroppa, Alessandro; Xiong, Ren-Gen
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 154
• a: 10.013 ± 0.007 Å
• b: 10.253 ± 0.007 Å
• c: 10.564 ± 0.006 Å
• α: 65.31 ± 0.06°
• β: 63.75 ± 0.05°
• γ: 89.72 ± 0.07°
• Cell volume: 862 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No