Information card for entry 1521275

Structure parameters

• Common name: [Ir(C2H4)(POCOP)] (6)
• Formula: C24 H43 Ir O2 P2
• Calculated formula: C24 H43 Ir O2 P2
• SMILES: [Ir]123([P](Oc4c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc4)(C(C)(C)C)C(C)(C)C)[CH2]=[CH2]3
• Title of publication: Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism
• Authors of publication: Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 4575
• a: 8.5336 ± 0.001 Å
• b: 11.7835 ± 0.0014 Å
• c: 13.3762 ± 0.0015 Å
• α: 100.381 ± 0.002°
• β: 95.958 ± 0.002°
• γ: 103.944 ± 0.002°
• Cell volume: 1268.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No