Information card for entry 7243239

Structure parameters

• Common name: fac-[Re(CO)3(5Me-Sal-Trypt)(PPh3)]
• Chemical name: fac-Tricarbonyl-{2-[(2-Indol-3-yl-ethyl)liminomethyl)]-5-methylphenolato}-triphenylphosphine-rhenium(I)
• Formula: C39 H32 N2 O4 P Re
• Calculated formula: C39 H32 N2 O4 P Re
• Title of publication: Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex
• Authors of publication: Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 39
• Pages of publication: 24443 - 24455
• a: 10.506 ± 0.0007 Å
• b: 26.642 ± 0.002 Å
• c: 12.3068 ± 0.0008 Å
• α: 90°
• β: 106.455 ± 0.002°
• γ: 90°
• Cell volume: 3303.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.029
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No