Information card for entry 7108005

Structure parameters

• Formula: C26 H16 N4 O6 Re2
• Calculated formula: C26 H16 N4 O6 Re2
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([n]2ccccc2c2[n]1cccc2)[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2
• Title of publication: Structural investigations into the deactivation pathway of the CO2 reduction electrocatalyst Re(bpy)(CO)3Cl
• Authors of publication: Eric Benson; Clifford Kubiak
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7374
• a: 9.62 ± 0.003 Å
• b: 19.62 ± 0.006 Å
• c: 12.933 ± 0.004 Å
• α: 90°
• β: 103.71 ± 0.004°
• γ: 90°
• Cell volume: 2371.5 ± 1.3 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: 0.0755
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No