Information card for entry 4087316

Structure parameters

• Formula: C20 H39 Cr F6 N3 P Sb
• Calculated formula: C20 H39 Cr F6 N3 P Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)(#N)[P](c1ccccc1)(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: 9.733 ± 0.002 Å
• b: 10.254 ± 0.002 Å
• c: 27.719 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No