Information card for entry 4074563

Structure parameters

• Formula: C35 H45 F3 Ir2 N2 O7 S3
• Calculated formula: C35 H45 F3 Ir2 N2 O7 S3
• SMILES: [Ir]123456([Ir]789%10([NH]1S(=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.S(=O)(=O)([O-])C(F)(F)F
• 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: 15.028 ± 0.003 Å
• b: 15.56 ± 0.003 Å
• c: 18.069 ± 0.003 Å
• α: 69.227 ± 0.005°
• β: 86.128 ± 0.007°
• γ: 83.76 ± 0.007°
• Cell volume: 3925.2 ± 1.3 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: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No