Information card for entry 7116447

Structure parameters

• Formula: C57 H48 B Cl2 F24 Ir N P S
• Calculated formula: C57 H48 B Cl2 F24 Ir N P S
• Title of publication: Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines
• Authors of publication: Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1941
• a: 12.9489 ± 0.0011 Å
• b: 12.9489 ± 0.0011 Å
• c: 70.484 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11818.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No