Information card for entry 2012695

Structure parameters

• Chemical name: Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I)
• Formula: C26 H21 Mn O11 S3 Sn
• Calculated formula: C26 H21 Mn O11 S3 Sn
• SMILES: C(#[O])[Mn]([Sn](c1ccc(S(=O)(=O)C)cc1)(c1ccc(S(=O)(=O)C)cc1)c1ccc(S(=O)(=O)C)cc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure
• Authors of publication: Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m297 - m299
• a: 22.4188 ± 0.0001 Å
• b: 22.4188 ± 0.0001 Å
• c: 11.9764 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6019.37 ± 0.06 ų
• Cell temperature: 279 ± 2 K
• Ambient diffraction temperature: 279 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes