Information card for entry 7004167

Structure parameters

• Formula: C76 H58 Ir2 O4 P4
• Calculated formula: C76 H56 Ir2 O4 P4
• SMILES: [Ir]123([P](c4c(C2=[O][Ir]25([P](c6c(C2=O)cccc6)(c2ccccc2)c2ccccc2)[P](c2c(C5=[O]1)cccc2)(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)[P](c1c(C3=O)cccc1)(c1ccccc1)c1ccccc1
• 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: 11.462 ± 0.003 Å
• b: 13.688 ± 0.003 Å
• c: 23.598 ± 0.005 Å
• α: 79.179 ± 0.004°
• β: 88.238 ± 0.004°
• γ: 67.565 ± 0.004°
• Cell volume: 3357.9 ± 1.4 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: 0.2779
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No