Information card for entry 7714872

Structure parameters

• Formula: C23 H43 N P2
• Calculated formula: C23 H43 N P2
• 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: 15.9398 ± 0.0004 Å
• b: 6.2656 ± 0.0002 Å
• c: 25.0585 ± 0.0008 Å
• α: 90°
• β: 96.419 ± 0.003°
• γ: 90°
• Cell volume: 2486.96 ± 0.13 ų
• Cell temperature: 160 ± 0.2 K
• Ambient diffraction temperature: 160 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No