Information card for entry 4074562

Structure parameters

• Formula: C34 H44 Ir2 N2 O4 S2
• Calculated formula: C34 H44 Ir2 N2 O4 S2
• SMILES: [Ir]123456([Ir]789%10(N1S(=O)(=O)c1ccc(cc1)C)(N2S(=O)(=O)c1ccc(cc1)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: A Sulfonylimido-Bridged Coordinatively Unsaturated Diiridium Complex: Intramolecular C−H Bond Activation Promoted by a Weak Acid
• Authors of publication: Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5847
• a: 14.195 ± 0.009 Å
• b: 14.417 ± 0.008 Å
• c: 17.929 ± 0.011 Å
• α: 90°
• β: 113.21 ± 0.008°
• γ: 90°
• Cell volume: 3372 ± 4 ų
• Cell temperature: 193 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: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No