Information card for entry 4068205

Structure parameters

• Formula: C24 H42 Ir2 N O2 P S
• Calculated formula: C24 H42 Ir2 N O2 P S
• SMILES: [Ir]12345([Ir]6789(N1S(=O)(=O)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)([P](C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Trapping of a Doubly Unsaturated Dinuclear Iridium(II) Sulfonylimido Complex with Phosphine and Lewis Acidic Group 11 and 12 Metals
• Authors of publication: Kimura, Takashi; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1204
• a: 11.008 ± 0.002 Å
• b: 15.888 ± 0.003 Å
• c: 15.922 ± 0.004 Å
• α: 90°
• β: 99.287 ± 0.003°
• γ: 90°
• Cell volume: 2748.2 ± 1 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No