Information card for entry 7714877

Structure parameters

• Formula: C36 H22 Br0.26 F3.49 N6 O9.48 P1.74 Re2
• Calculated formula: C36 H22 Br0.258 F3.484 N6 O9.484 P1.742 Re2
• 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: 8.438 ± 0.0002 Å
• b: 9.6908 ± 0.0002 Å
• c: 27.1602 ± 0.0004 Å
• α: 96.43 ± 0.001°
• β: 97.031 ± 0.001°
• γ: 104.92 ± 0.002°
• Cell volume: 2105.92 ± 0.08 ų
• Cell temperature: 159.99 ± 0.1 K
• Ambient diffraction temperature: 160.15 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: 0.0442
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No