Information card for entry 4087317

Structure parameters

• Formula: C20 H39 Cr F6 N3 P2
• Calculated formula: C20 H39 Cr F6 N3 P2
• SMILES: [Cr]([P](c1ccccc1)(C)C)(#N)(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.689 ± 0.002 Å
• b: 27.36 ± 0.007 Å
• c: 10.182 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No