Information card for entry 7103973

Structure parameters

• Formula: C31 H39 I2 Ir2 N O P2 S
• Calculated formula: C31 H39 I2 Ir2 N O P2 S
• SMILES: [Ir]12345([I][Ir](I)([S]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)N=O)([P](C)(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 10.715 ± 0.004 Å
• b: 12.613 ± 0.003 Å
• c: 13.637 ± 0.004 Å
• α: 75.57 ± 0.02°
• β: 81.65 ± 0.02°
• γ: 85.08 ± 0.03°
• Cell volume: 1763.5 ± 0.9 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.674
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No