Information card for entry 2016241

Structure parameters

• Chemical name: methoxyethanolato)dimethyl(tetrahydrofuran-κO)aluminium(III)tetramanganese(II)
• Formula: C18 H42 Al I5 Mn4 O9
• Calculated formula: C18 H42 Al I5 Mn4 O9
• SMILES: [Mn]12([I][Mn]3456[I][Mn]789([I][Mn]%10([I]1)([O](CC[O]23%10)C)[O]48CC[O]7C)[O](CC[O]9[Al]([O]6CC[O]5C)(C)C)C)(I)[O]1CCCC1
• Title of publication: A pentanuclear bimetallic complex of manganese(II) and aluminium(III) ions: tetra-μ~2~-iodido-iodidobis(μ~3~-2-methoxyethanolato)bis(μ~2~-2-methoxyethanolato)dimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)tetramanganese(II)
• Authors of publication: Lucjan B. Jerzykiewicz; Józef Utko; Piotr Sobota
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m501 - m503
• a: 7.896 ± 0.004 Å
• b: 14.899 ± 0.004 Å
• c: 31.516 ± 0.008 Å
• α: 90°
• β: 92.26 ± 0.04°
• γ: 90°
• Cell volume: 3705 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes