Information card for entry 4083062

Structure parameters

• Common name: [Mn(bpy)(CO)3]2
• Formula: C26 H16 Mn2 N4 O6
• Calculated formula: C26 H16 Mn2 N4 O6
• SMILES: C(#[O])[Mn]1(C#[O])(C#[O])([n]2ccccc2c2[n]1cccc2)[Mn]1(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2
• Title of publication: Developing a Mechanistic Understanding of Molecular Electrocatalysts for CO2Reduction using Infrared Spectroelectrochemistry
• Authors of publication: Machan, Charles W.; Sampson, Matthew D.; Chabolla, Steven A.; Dang, Tram; Kubiak, Clifford P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4550
• a: 9.5138 ± 0.0009 Å
• b: 19.278 ± 0.002 Å
• c: 12.9529 ± 0.0011 Å
• α: 90°
• β: 104.443 ± 0.004°
• γ: 90°
• Cell volume: 2300.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No