Information card for entry 4319955

Structure parameters

• Chemical name: Mangnese dibromide bis(triphenyl phosphine oxide)
• 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: 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: 9.9735 ± 0.0012 Å
• b: 10.191 ± 0.003 Å
• c: 10.538 ± 0.002 Å
• α: 65.323 ± 0.011°
• β: 63.493 ± 0.012°
• γ: 89.44 ± 0.02°
• Cell volume: 850.2 ± 0.4 ų
• Cell temperature: 213 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No