Information card for entry 7023352

Structure parameters

• Formula: C27 H32 Cl F6 Ir N3 Sb
• Calculated formula: C27 H32 Cl F6 Ir N3 Sb
• SMILES: [Ir]12345(Cl)([n]6ccn(C)c6C=[N]1[C@@H](C)c1cccc6ccccc16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.
• Authors of publication: Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11640 - 11651
• a: 10.8788 ± 0.0015 Å
• b: 22.48 ± 0.003 Å
• c: 12.2248 ± 0.0017 Å
• α: 90°
• β: 100.898 ± 0.002°
• γ: 90°
• Cell volume: 2935.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No