Information card for entry 7004051

Structure parameters

• Formula: C23 H39 B F4 Ir N S2
• Calculated formula: C23 H39 B F4 Ir N S2
• Title of publication: Pyridine-based SNS-iridium and -rhodium sulfide complexes, including d8‒d8 metal‒metal interactions in the solid state
• Authors of publication: Klerman, Yulie; Ben-Ari, Eyal; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3226 - 3234
• a: 17.5452 ± 0.0006 Å
• b: 9.7839 ± 0.0003 Å
• c: 15.3976 ± 0.0004 Å
• α: 90°
• β: 93.981 ± 0.002°
• γ: 90°
• Cell volume: 2636.78 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No