Information card for entry 4070734

Structure parameters

• Formula: C23 H33 Ir2 N O4 S
• Calculated formula: C23 H33 Ir2 N O4 S
• SMILES: [Ir]12345([Ir]6789(N1S(=O)(=O)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C#[O])([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#[O]
• Title of publication: Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex
• Authors of publication: Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 493
• a: 8.504 ± 0.004 Å
• b: 17.302 ± 0.008 Å
• c: 17.943 ± 0.009 Å
• α: 90°
• β: 106.364 ± 0.005°
• γ: 90°
• Cell volume: 2533 ± 2 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No