Information card for entry 7714874

Structure parameters

• Formula: C26 H43 Br0.28 F4.34 N O3 P2.73 Re
• Calculated formula: C26 H43 Br0.278 F4.332 N O3 P2.722 Re
• Title of publication: Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)₃}⁺ complexes (M = Re, ^99(m)Tc) by a PNP ligand.
• Authors of publication: Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1434 - 1438
• a: 8.4694 ± 0.0002 Å
• b: 12.7901 ± 0.0002 Å
• c: 15.8962 ± 0.0003 Å
• α: 105.675 ± 0.002°
• β: 104.744 ± 0.002°
• γ: 92.815 ± 0.002°
• Cell volume: 1590.42 ± 0.06 ų
• Cell temperature: 159.99 ± 0.1 K
• Ambient diffraction temperature: 159.99 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No