Information card for entry 4088762

Structure parameters

• Common name: 1175
• Formula: C17 H12 F10 N3 O Re
• Calculated formula: C17 H12 F10 N3 O Re
• Title of publication: Reductive Carbonylation of Oxorhenium Hydrides Induced by Lewis Acids
• Authors of publication: Lambic, Nikola S.; Lilly, Cassandra P.; Robbins, Leanna K.; Sommer, Roger D.; Ison, Elon A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2822
• a: 8.1014 ± 0.0004 Å
• b: 19.6607 ± 0.0009 Å
• c: 11.7352 ± 0.0006 Å
• α: 90°
• β: 94.836 ± 0.003°
• γ: 90°
• Cell volume: 1862.52 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No