Information card for entry 4086015

Structure parameters

• Formula: C24 H18 F10 N3 O Re
• Calculated formula: C24 H18 F10 N3 O Re
• 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: 12.498 ± 0.007 Å
• b: 13.021 ± 0.004 Å
• c: 14.735 ± 0.005 Å
• α: 90°
• β: 98.19 ± 0.03°
• γ: 90°
• Cell volume: 2373.5 ± 1.7 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: 0.0621
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No