Information card for entry 4340795

Structure parameters

• Formula: C14 H21 F3 N2 O3 S
• Calculated formula: C14 H21 F3 N2 O3 S
• SMILES: CC(C)[NH+]=C(c1ccccc1)NC(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).
• Authors of publication: Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8735 - 8741
• a: 11.55 ± 0.0002 Å
• b: 8.9281 ± 0.0001 Å
• c: 16.777 ± 0.0003 Å
• α: 90°
• β: 92.973 ± 0.001°
• γ: 90°
• Cell volume: 1727.71 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No