Information card for entry 4068207

Structure parameters

• Formula: C44 H70 Ag4 Cl8 Ir4 N2 O4 S2
• Calculated formula: C44 H70 Ag4 Cl8 Ir4 N2 O4 S2
• SMILES: CS(=O)(=O)N1[Ir]234567([c]8([c]2([c]3([c]4([c]58C)C)C)C)C)[Ag]23([Ag]6(Cl)[Ir]4568172[c]1([c]4([c]5([c]6([c]81C)C)C)C)C)[Cl][Ag]12([Ag]4(Cl)[Ir]567891([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)N(S(=O)(=O)C)[Ir]1567249[c]2([c]1([c]5([c]6([c]72C)C)C)C)C)[Cl]3.C(Cl)Cl.C(Cl)Cl
• 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: 14.616 ± 0.002 Å
• b: 10.8891 ± 0.0008 Å
• c: 19.568 ± 0.003 Å
• α: 90°
• β: 107.876 ± 0.005°
• γ: 90°
• Cell volume: 2964 ± 0.7 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: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No