Information card for entry 4517836

Structure parameters

• Common name: Cp*Ir(2pyridyl-sulfonamide)nitrate
• Formula: C15 H20 Ir N3 O5 S
• Calculated formula: C15 H20 Ir N3 O5 S
• Title of publication: Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts
• Authors of publication: Tensi, Leonardo; Macchioni, Alceo
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 7945
• a: 8.656 ± 0.0005 Å
• b: 14.5247 ± 0.001 Å
• c: 14.4235 ± 0.001 Å
• α: 90°
• β: 95.387 ± 0.003°
• γ: 90°
• Cell volume: 1805.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Ka
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No