Information card for entry 7032674

Structure parameters

• Formula: C18 H8 Mn2 O6 S4
• Calculated formula: C18 H8 Mn2 O6 S4
• SMILES: [Mn]12([S]3[S]4[Mn]([S]1c1c3cccc1)([S]2c1c4cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Electrocatalytic proton reduction catalyzed by a dimanganese disulfide carbonyl complex containing a redox-active internal disulfide bond.
• Authors of publication: Hou, Kaipeng; Fan, Wai Yip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 16977 - 16980
• a: 10.5196 ± 0.0018 Å
• b: 12.168 ± 0.002 Å
• c: 16.446 ± 0.003 Å
• α: 90°
• β: 94.987 ± 0.004°
• γ: 90°
• Cell volume: 2097.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No