Information card for entry 7113976

Structure parameters

• Formula: C42.5 H34 Cl Mn2.5 N3 O7.25 S3
• Calculated formula: C42.5 H34 Cl Mn2.5 N3 O7.25 S3
• Title of publication: Electrocatalytic hydrogen generation by a trithiolato-bridged dimanganese hexacarbonyl anion with a turnover frequency exceeding 40 000 s^-1^
• Authors of publication: Kaipeng Hou; Hwa Tiong Poh; Wai Yip Fan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6630
• a: 29.392 ± 0.002 Å
• b: 18.9158 ± 0.0013 Å
• c: 18.9647 ± 0.0012 Å
• α: 90°
• β: 121.23 ± 0.0017°
• γ: 90°
• Cell volume: 9016 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No