Information card for entry 7112768

Structure parameters

• Formula: C23 H14 Cl2 F3 N6 O6 Rh S
• Calculated formula: C23 H14 Cl2 F3 N6 O6 Rh S
• SMILES: [Rh]1234(Oc5c([N]1=Nc1[n]3cccc1)ccc(Cl)c5)[N](=Nc1[n]2cccc1)c1ccc(Cl)cc1O4.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Dioxygen activation by mixed-valent dirhodium complexes of redox non-innocent azoaromatic ligands.
• Authors of publication: Paul, Nanda D.; Krämer, Tobias; McGrady, John E.; Goswami, Sreebrata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 7124 - 7126
• a: 10.22 ± 0.011 Å
• b: 21.14 ± 0.02 Å
• c: 13.429 ± 0.014 Å
• α: 90°
• β: 106.99 ± 0.03°
• γ: 90°
• Cell volume: 2775 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No