Information card for entry 7004048

Structure parameters

• Formula: C31 H52 B2 Cl2 F8 Ir2 N2 S4
• Calculated formula: C31 H52 B2 Cl2 F8 Ir2 N2 S4
• 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: 11.41 ± 0.002 Å
• b: 20.324 ± 0.004 Å
• c: 21.39 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4960.3 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No