Information card for entry 4518857

Structure parameters

• Formula: C73 H88 B2 N4 Na O5 Rh S2
• Calculated formula: C73 H88 B2 N4 Na O5 Rh S2
• Title of publication: Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction
• Authors of publication: Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 8155 - 8164
• a: 18.9569 ± 0.0014 Å
• b: 14.9929 ± 0.0011 Å
• c: 23.8375 ± 0.0018 Å
• α: 90°
• β: 104.419 ± 0.001°
• γ: 90°
• Cell volume: 6561.7 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No