Information card for entry 4070731

Structure parameters

• Formula: C21 H35 Cl2 Ir2 N O2 S
• Calculated formula: C21 H34 Cl2 Ir2 N O2 S
• SMILES: [Ir]12345([Ir]6789(Cl)([NH]1S(=O)(=O)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 12.244 ± 0.005 Å
• b: 14.843 ± 0.007 Å
• c: 15.51 ± 0.007 Å
• α: 114.224 ± 0.007°
• β: 91.944 ± 0.004°
• γ: 92.901 ± 0.004°
• Cell volume: 2563 ± 2 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No