Information card for entry 7001336

Structure parameters

• Formula: C30 H23 Cl4 Ir N O2 P
• Calculated formula: C30 H23 Cl4 Ir N O2 P
• SMILES: [IrH]12(Cl)(C(=O)c3cccc4ccc[n]1c43)[P](c1c(C=2O)cccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: New hydridoirida-β-diketones derived from 8-quinoline-carbaldehyde and o-(diphenylphosphino)benzaldehyde
• Authors of publication: Ciganda, Roberto; Garralda, María A.; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4227 - 4235
• a: 8.885 ± 0.003 Å
• b: 11.159 ± 0.003 Å
• c: 15.768 ± 0.005 Å
• α: 75.022 ± 0.005°
• β: 86.646 ± 0.005°
• γ: 74.942 ± 0.005°
• Cell volume: 1458.3 ± 0.8 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: 0.0646
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No