Information card for entry 7026873

Structure parameters

• Formula: C28 H45 Cl2 F6 N2 O2.5 P Rh S2
• Calculated formula: C28 H42 Cl2 F6 N2 O2.5 P Rh S2
• Title of publication: The complexation of rhodium(III) with acyclic diaminedithioether (DADTE) ligands.
• Authors of publication: Akgun, Zeynep; Engelbrecht, Hendrik; Fan, Kuo-Hsien; Barnes, Charles Leslie; Cutler, Cathy Sue; Jurisson, Silvia Sabine; Lever, Susan Zemyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10169 - 10178
• a: 17.8256 ± 0.0011 Å
• b: 10.4632 ± 0.0006 Å
• c: 18.7671 ± 0.0011 Å
• α: 90°
• β: 94.315 ± 0.001°
• γ: 90°
• Cell volume: 3490.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No