Information card for entry 4085604

Structure parameters

• Formula: C39 H30 Ag Cl F6 Ir N O5 P2 S2
• Calculated formula: C39 H30 Ag Cl F6 Ir N O5 P2 S2
• SMILES: [Ir]([Ag]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Iridium(I) Complexes of π-Acidic Carboxamides
• Authors of publication: Bohle, D. Scott; Chua, Zhijie
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1074
• a: 11.9375 ± 0.0006 Å
• b: 17.6813 ± 0.0008 Å
• c: 19.8625 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4192.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No