Information card for entry 4086016

Structure parameters

• Formula: C25 H18 F10 N3 O2 Re
• Calculated formula: C25 H18 F10 N3 O2 Re
• SMILES: [Re]12(=O)(C(=O)Cc3ccccc3)N(c3c(c(c(c(c3F)F)F)F)F)CC[N]1(C)CCN2c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO: Implications for a Unique Mechanism for Migratory Insertion
• Authors of publication: Robbins, Leanna K.; Lilly, Cassandra P.; Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3152
• a: 8.113 ± 0.003 Å
• b: 13.613 ± 0.003 Å
• c: 24.25 ± 0.009 Å
• α: 90°
• β: 96.911 ± 0.013°
• γ: 90°
• Cell volume: 2658.8 ± 1.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0657
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No