Information card for entry 4339584

Structure parameters

• Formula: C21 H30 F3 N2 O3 Rh S
• Calculated formula: C21 H30 F3 N2 O3 Rh S
• SMILES: [Rh]12345([N](=C(c6c1cccc6)C)C)([NH2]C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: On the reactivity toward ketones of new methyl amino complexes of Rh(III) and Ag(I). Synthesis of ortho-rhodiated acetophenone methyl imine complexes.
• Authors of publication: Vicente, José; Chicote, María Teresa; Vicente-Hernandez, Inmaculada; Bautista, Delia
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8939 - 8949
• a: 12.1899 ± 0.0005 Å
• b: 14.9406 ± 0.0006 Å
• c: 24.722 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4502.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No