Information card for entry 7108007

Structure parameters

• Formula: C34 H32 K N4 O8 Re2
• Calculated formula: C34 H32 K N4 O8 Re2
• 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: 8.8574 ± 0.0005 Å
• b: 11.5882 ± 0.0007 Å
• c: 32.45 ± 0.0018 Å
• α: 90°
• β: 95.504 ± 0.003°
• γ: 90°
• Cell volume: 3315.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No