Information card for entry 7127835

Structure parameters

• Formula: C62 H63 B2 F8 N9 O Rh2
• Calculated formula: C62 H63 B2 F8 N9 O Rh2
• SMILES: [Rh]123([Rh]4([N](=C(N1c1ccc(cc1)C)C)c1ccc(cc1)C)([N](=C(N2c1ccc(cc1)C)C)c1ccc(cc1)C)[n]1cccc2c1c1[n]4cccc1cc2)([N]#CC)[n]1cccc2c1c1[n]3cccc1cc2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O(CC)CC
• Title of publication: Dirhodium complexes as electrocatalysts for CO₂ reduction to HCOOH: role of steric hindrance on selectivity.
• Authors of publication: Manamperi, Hemanthi D.; Moore, Curtis E.; Turro, Claudia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 13
• Pages of publication: 1635 - 1638
• a: 22.1265 ± 0.0005 Å
• b: 20.9437 ± 0.0005 Å
• c: 24.5322 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11368.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No