Information card for entry 7062663

Structure parameters

• Common name: jonrap04
• Formula: C19 H17 Br N3 O6 Re
• Calculated formula: C19 H17 Br N3 O6 Re
• Title of publication: Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium
• Authors of publication: Pohorenec, Ryan A.; Brennessel, William W.; Jones, William D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 16872 - 16878
• a: 19.2317 ± 0.0002 Å
• b: 10.7253 ± 0.0001 Å
• c: 20.2888 ± 0.0002 Å
• α: 90°
• β: 102.068 ± 0.001°
• γ: 90°
• Cell volume: 4092.4 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No