Information card for entry 4068206

Structure parameters

• Formula: C21 H33 Cl2 Ir2 N O2 S Zn
• Calculated formula: C21 H33 Cl2 Ir2 N O2 S Zn
• SMILES: [Ir]123456([Ir]789%10([Zn]1(Cl)Cl)(N2S(=O)(=O)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: 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: 14.259 ± 0.005 Å
• b: 11.096 ± 0.004 Å
• c: 17.234 ± 0.006 Å
• α: 90°
• β: 93.46 ± 0.006°
• γ: 90°
• Cell volume: 2721.8 ± 1.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• 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: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No