Information card for entry 4319952

Structure parameters

• Formula: C38 H36 Cl4 Mn P2
• Calculated formula: C38 H36 Cl4 Mn P2
• SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Mn](Cl)(Cl)([Cl-])[Cl-]
• 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: 15.4804 ± 0.0004 Å
• b: 15.4804 ± 0.0004 Å
• c: 15.4804 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3709.77 ± 0.17 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.088
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No