Information card for entry 7004049

Structure parameters

• Formula: C16 H25 B F4 Ir N O S2
• Calculated formula: C16 H25 B F4 Ir N O S2
• SMILES: [Ir]12([S](Cc3[n]2c(ccc3)C[S]1C(C)(C)C)C(C)(C)C)C#[O].[B](F)(F)(F)[F-]
• 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: 8.832 ± 0.0018 Å
• b: 10.614 ± 0.002 Å
• c: 22.104 ± 0.004 Å
• α: 90°
• β: 99.4 ± 0.03°
• γ: 90°
• Cell volume: 2044.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No