Information card for entry 4075321

Structure parameters

• Formula: C19 H43 Al Cl4 Mn3 O8
• Calculated formula: C19 H43 Al Cl4 Mn3 O8
• SMILES: [Mn]12([Cl][Mn]345([Cl][Mn]67([Cl]1)([O](CC[O]236)C)[O](CC[O]7[Al]([O]5CC[O]4C)(C)C)C)[O]1CCCC1)(Cl)[O]1CCCC1
• Title of publication: Structural Characterization of Manganese(II) Compounds with Methylalumoxane (MAO) and AlMe2Units
• Authors of publication: Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4924
• a: 14.271 ± 0.004 Å
• b: 15.302 ± 0.005 Å
• c: 14.92 ± 0.005 Å
• α: 90°
• β: 91.69 ± 0.02°
• γ: 90°
• Cell volume: 3256.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No