Information card for entry 7057473

Structure parameters

• Common name: [Rh(n5-C5Me5)(tmeda)Cl](CF3SO3)
• Formula: C51 H97 Cl3 F9 N6 O11 Rh3 S3
• Calculated formula: C51 H97 Cl3 F9 N6 O11 Rh3 S3
• Title of publication: Structural and solution equilibrium studies on half-sandwich organorhodium complexes of (N,N) donor bidentate ligands
• Authors of publication: Mészáros, János P.; Dömötör, Orsolya; Hackl, Carmen M.; Roller, Alexander; Keppler, Bernhard K.; Kandioller, Wolfgang; Enyedy, Éva A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 11174
• a: 13.0112 ± 0.0004 Å
• b: 37.673 ± 0.0011 Å
• c: 13.6054 ± 0.0004 Å
• α: 90°
• β: 91.5748 ± 0.0009°
• γ: 90°
• Cell volume: 6666.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No