Information card for entry 7047458

Structure parameters

• Formula: C26 H38 O3 P Re
• Calculated formula: C26 H38 O3 P Re
• Title of publication: Influence of the substituent on the phosphine ligand in novel rhenium(i) aldehydes. Synthesis, computational studies and first insights into the antiproliferative activity.
• Authors of publication: Muñoz-Osses, Michelle; Siegmund, Daniel; Gómez, Alejandra; Godoy, Fernando; Fierro, Angélica; Llanos, Leonel; Aravena, Daniel; Metzler-Nolte, Nils
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13861 - 13869
• a: 14.6645 ± 0.0006 Å
• b: 10.3427 ± 0.0005 Å
• c: 16.0747 ± 0.0008 Å
• α: 90°
• β: 94.819 ± 0.004°
• γ: 90°
• Cell volume: 2429.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No