Information card for entry 7004168

Structure parameters

• Formula: C77 H58 Cl4 Ir2 O8 P4
• Calculated formula: C77 H58 Cl4 Ir2 O8 P4
• SMILES: [Ir]1234([H][Ir]56([O]=C2c2c([P]1(c1ccccc1)c1ccccc1)cccc2)([P](c1c(C6=O)cccc1)(c1ccccc1)c1ccccc1)[P](c1c(C5=[O]4)cccc1)(c1ccccc1)c1ccccc1)[P](c1c(C3=O)cccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl
• 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: 12.3375 ± 0.0008 Å
• b: 15.6694 ± 0.001 Å
• c: 18.6401 ± 0.0012 Å
• α: 92.2 ± 0.001°
• β: 103.952 ± 0.001°
• γ: 96.612 ± 0.001°
• Cell volume: 3465.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No