Information card for entry 7004171

Structure parameters

• Formula: C46 H41 Cl Ir O2 P2 Rh
• Calculated formula: C46 H41 Cl Ir O2 P2 Rh
• SMILES: C12=[O][Rh]345([CH]6=[CH]3CC[CH]4=[CH]5CC6)[O]=C3c4c(cccc4)[P](c4ccccc4)(c4ccccc4)[IrH]23(Cl)[P](c2c1cccc2)(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: 12.2643 ± 0.0011 Å
• b: 13.03 ± 0.0011 Å
• c: 14.3161 ± 0.0013 Å
• α: 87.48 ± 0.002°
• β: 78.631 ± 0.002°
• γ: 63.784 ± 0.002°
• Cell volume: 2009.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No