Information card for entry 4346138

Structure parameters

• Common name: in manuscript 1b
• Formula: C15 H28 F3 N2 O3 P S
• Calculated formula: C15 H28 F3 N2 O3 P S
• SMILES: P(n1c[n+](cc1)C(C)C)(C(C)(C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.
• Authors of publication: Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10126 - 10140
• a: 16.382 ± 0.0011 Å
• b: 10.5135 ± 0.0007 Å
• c: 11.8675 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2044 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No