Information card for entry 4319956

Structure parameters

• Chemical name: Manganese dibromide bis(triphenylarsine oxide)
• Formula: C36 H30 As2 Br2 Mn O2
• Calculated formula: C36 H30 As2 Br2 Mn O2
• SMILES: [Mn](Br)(Br)([O]=[As](c1ccccc1)(c1ccccc1)c1ccccc1)[O]=[As](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Penglin Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3576 - 3578
• a: 17.816 ± 0.003 Å
• b: 10.164 ± 0.001 Å
• c: 18.807 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3405.6 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections: 0.1601
• Weighted residual factors for significantly intense reflections: 0.1438
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No