Information card for entry 4518858

Structure parameters

• Formula: C9 H19 B F4 N O Rh S2
• Calculated formula: C9 H19 B F4 N O Rh S2
• SMILES: [Rh]12([S](CC[NH]2CC[S]1CC)CC)C#[O].[B](F)(F)(F)[F-]
• 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: 8.2674 ± 0.0009 Å
• b: 9.8268 ± 0.001 Å
• c: 10.9563 ± 0.0011 Å
• α: 116.565 ± 0.0011°
• β: 96.392 ± 0.0012°
• γ: 103.022 ± 0.0011°
• Cell volume: 752.35 ± 0.14 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No