Information card for entry 7041506

Structure parameters

• Formula: C20 H27 F6 Ir N O2 S Sb
• Calculated formula: C20 H27 F6 Ir N O2 S Sb
• SMILES: [Ir]123456([S](C[C@H]([NH2]2)C(=O)O1)Cc1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Half-sandwich complexes of iridium and ruthenium containing cysteine-derived ligands.
• Authors of publication: Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Cativiela, Carlos; López, José A; Carmona, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 962 - 976
• a: 8.613 ± 0.0004 Å
• b: 14.4059 ± 0.0006 Å
• c: 19.2824 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2392.52 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0139
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No