Information card for entry 4319953

Structure parameters

• Formula: C8 H24 Cl4 Mn N2
• Calculated formula: C8 H24 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[N+](C)(C)(C)C.[N+](C)(C)(C)C
• 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: 9.016 ± 0.003 Å
• b: 36.901 ± 0.022 Å
• c: 15.495 ± 0.003 Å
• α: 90°
• β: 90.72 ± 0.03°
• γ: 90°
• Cell volume: 5155 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections: 0.1587
• Weighted residual factors for significantly intense reflections: 0.1419
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No