Information card for entry 4081200

Structure parameters

• Formula: C30 H39 Cl2 F6 Ir O P2
• Calculated formula: C30 H39 Cl2 F6 Ir O P2
• SMILES: [Ir]12345([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)(c1c(cccc1)C(=CC=5OC)c1ccccc1)[P](C)(C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Formation of Indanone from an Iridanaphthalene Complex
• Authors of publication: Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4058
• a: 15.4883 ± 0.0011 Å
• b: 11.4695 ± 0.0008 Å
• c: 19.8124 ± 0.0014 Å
• α: 90°
• β: 110.297 ± 0.001°
• γ: 90°
• Cell volume: 3301 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No