Information card for entry 7023391

Structure parameters

• Formula: C45 H39 Cl3 Ir N O6 P2
• Calculated formula: C45 H39 Cl3 Ir N O6 P2
• SMILES: [IrH]12([P](c3c(C=1O)cccc3)(c1ccccc1)c1ccccc1)([P](c1c(C2=O)cccc1)(c1ccccc1)c1ccccc1)[NH2]c1ccccc1.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Efficient hydridoirida-β-diketone-catalyzed hydrolysis of ammonia- or amine-boranes for hydrogen generation in air.
• Authors of publication: Garralda, María A; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M; Ubide, Carlos; Zumeta, Itziar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11652 - 11660
• a: 11.2547 ± 0.0015 Å
• b: 13.1302 ± 0.0018 Å
• c: 14.795 ± 0.002 Å
• α: 101.098 ± 0.002°
• β: 98.513 ± 0.002°
• γ: 99.049 ± 0.002°
• Cell volume: 2082.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No