Information card for entry 7718056

Structure parameters

• Formula: C41 H64 Cl4 F12 Ir2 N8 O2 P2
• Calculated formula: C41 H64 Cl4 F12 Ir2 N8 O2 P2
• Title of publication: A picolinamide iridium catalyst immobilized on an aluminum-hydride anchor for the selective dehydrogenation of neat formic acid.
• Authors of publication: Alrais, Lujain; Dutta, Indranil; Hengne, Amol; Chakraborty, Priyanka; Abou-Hamad, Edy; Xi, Shibo; Rahman, Mohammad Misbahur; Zhang, Jia; Chen, Benjamin W. J.; Basset, Jean-Marie; Huang, Kuo-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5119 - 5127
• a: 14.0034 ± 0.0011 Å
• b: 12.3704 ± 0.0009 Å
• c: 30.741 ± 0.002 Å
• α: 90°
• β: 94.759 ± 0.003°
• γ: 90°
• Cell volume: 5306.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.01 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1501
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.2938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.665
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No