Information card for entry 7720403

Structure parameters

• Chemical name: [Ir(H)(PMe3)(tBu4POCOP)][BArF4]
• Formula: C57 H61 B F24 Ir O2 P3
• Calculated formula: C57 H61 B F24 Ir O2 P3
• Title of publication: Heterolytic cleavage of the B-H bond in H₃B·L (L = THF, NMe₂H) by an electrophilic Ir(III) pincer complex [Ir(H)(PMe₃)(^<i>t</i>Bu4POCOP)][BArF4].
• Authors of publication: Pradhan, Mitarani; Surati, Zeel Y.; Pal, Apurba Kumar; Vanka, Kumar; Jagirdar, Balaji R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 476 - 491
• a: 12.2359 ± 0.0005 Å
• b: 39.5973 ± 0.0014 Å
• c: 12.9688 ± 0.0004 Å
• α: 90°
• β: 93.879 ± 0.001°
• γ: 90°
• Cell volume: 6269.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No