Information card for entry 7004170

Structure parameters

• Formula: C38 H31 Ir O2 P2
• Calculated formula: C38 H31 Ir O2 P2
• SMILES: [IrH2]12(C(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)=O)=C(O)c1c([P]2(c2ccccc2)c2ccccc2)cccc1
• Title of publication: Reactivity of hydridoirida-β-diketones with bases: the selective formation of new di-μ-acyl-μ-hydridodiiridium(iii) or dihydridoirida-β-diketone complexes and heterometallic Ir(iii)‒Rh(i) derivatives
• Authors of publication: Acha, Francisco; Ciganda, Roberto; Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4602
• a: 11.4493 ± 0.0007 Å
• b: 11.4628 ± 0.0007 Å
• c: 13.775 ± 0.0008 Å
• α: 72.076 ± 0.001°
• β: 67.555 ± 0.001°
• γ: 79.943 ± 0.001°
• Cell volume: 1586.44 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No