Information card for entry 7103972

Structure parameters

• Formula: C31 H39 Ir2 N O P2 S
• Calculated formula: C31 H39 Ir2 N O P2 S
• SMILES: [Ir]12345([Ir]([S]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)N=O)([P](C)(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Mono(sulfido)-bridged mixed-valence nitrosyl complex: protonation and oxidative addition of iodine across the Ir(II)‒Ir(0) bond
• Authors of publication: Hattori, Takanori; Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 510 - 511
• a: 12.841 ± 0.004 Å
• b: 16.136 ± 0.006 Å
• c: 15.616 ± 0.006 Å
• α: 90°
• β: 98.33 ± 0.03°
• γ: 90°
• Cell volume: 3201 ± 1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.608
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No