Information card for entry 1567312

Structure parameters

• Common name: Cr_snow
• Formula: C54 H84 Cl Cr N2 O5
• Calculated formula: C54 H84 Cl Cr N2 O5
• Title of publication: Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design
• Authors of publication: Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 9595 - 9606
• a: 27.514 ± 0.002 Å
• b: 12.1313 ± 0.0011 Å
• c: 32.252 ± 0.004 Å
• α: 90°
• β: 99.556 ± 0.007°
• γ: 90°
• Cell volume: 10615.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2037
• Residual factor for significantly intense reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.3138
• Weighted residual factors for all reflections included in the refinement: 0.3808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No