Information card for entry 4322856

Structure parameters

• Formula: C16 H32 Cl4 Mg Mn O4
• Calculated formula: C16 H32 Cl4 Mg Mn O4
• SMILES: [Mn]1([Cl][Mg]([Cl]1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cl)Cl
• Title of publication: Polynuclear Aggregation of Manganese Dichloride. Syntheses, Properties, and Structures of Polymeric [MnCl2(THF)1.6]\ιnfty, Dimeric [(THF)4Mg(μ-Cl)2MnCl2], and Ionic [Mg(H2O)2(THF)4][Mg(H2O)4(THF)2][MnCl4]2.2THF Compounds
• Authors of publication: Piotr Sobota; Józef Utko; Lucjan B. Jerzykiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3428 - 3431
• a: 15.025 ± 0.003 Å
• b: 9.715 ± 0.002 Å
• c: 16.647 ± 0.003 Å
• α: 90°
• β: 92.46 ± 0.02°
• γ: 90°
• Cell volume: 2427.7 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1717
• Weighted residual factors for significantly intense reflections: 0.1557
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No