Information card for entry 4087314

Structure parameters

• Formula: C15 H34 Cr F6 N3 P Sb
• Calculated formula: C15 H37 Cr F6 N3 P Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Cr]([P](C)(C)C)(#N)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement
• Authors of publication: Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1227
• a: 13.9265 ± 0.0003 Å
• b: 13.8933 ± 0.0003 Å
• c: 26.2428 ± 0.0007 Å
• α: 90°
• β: 93.004 ± 0.001°
• γ: 90°
• Cell volume: 5070.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.118
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No