Information card for entry 7001338

Structure parameters

• Formula: C38 H34 Cl4 Ir N O2 P Rh
• Calculated formula: C38 H34 Cl4 Ir N O2 P Rh
• SMILES: [Ir]12(=C(c3c4[n]1cccc4ccc3)O[RhH]134[CH]5=[CH]3CC[CH]4=[CH]1CC5)(Cl)[P](c1c(C2=O)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: 10.4414 ± 0.0011 Å
• b: 16.9986 ± 0.0017 Å
• c: 21.716 ± 0.002 Å
• α: 90°
• β: 101.344 ± 0.002°
• γ: 90°
• Cell volume: 3779.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2096
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No