Information card for entry 7057472

Structure parameters

• Common name: [Rh (n5-C5Me5)(dmen)Cl](CF3SO3)
• Formula: C15 H27 Cl F3 N2 O3 Rh S
• Calculated formula: C15 H27 Cl F3 N2 O3 Rh S
• 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: 8.5159 ± 0.0003 Å
• b: 9.7262 ± 0.0004 Å
• c: 24.59 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2036.72 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0138
• Residual factor for significantly intense reflections: 0.0135
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No