Information card for entry 7714181

Structure parameters

• Formula: C24 H18 Cl2 F6 N4 O3 P Re
• Calculated formula: C24 H18 Cl2 F6 N4 O3 P Re
• Title of publication: Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes.
• Authors of publication: McMillion, Noah D.; Bruch, Quinton J.; Chen, Chun-Hsing; Hasanayn, Faraj; Miller, Alexander J. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 7.0838 ± 0.0002 Å
• b: 14.3946 ± 0.0003 Å
• c: 25.8235 ± 0.0006 Å
• α: 90°
• β: 91.8555 ± 0.0012°
• γ: 90°
• Cell volume: 2631.8 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 8
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9977
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No