Information card for entry 4319891

Structure parameters

• Formula: C22 H22 Mn2 N2 O7 S2
• Calculated formula: C22 H22 Mn2 N2 O7 S2
• SMILES: [Mn]12([S]3[Mn]([S]1c1ccccc1[NH2]2)([NH2]c1c3cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].O(CC)CC
• Title of publication: Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-
• Authors of publication: Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3468 - 3475
• a: 11.2562 ± 0.0002 Å
• b: 25.1443 ± 0.0002 Å
• c: 20.0981 ± 0.0003 Å
• α: 90°
• β: 104.49 ± 0.001°
• γ: 90°
• Cell volume: 5507.41 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1366
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.1641
• Weighted residual factors for significantly intense reflections: 0.1379
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No