Information card for entry 1564169

Structure parameters

• Formula: C14.5 H17 N4 O6.5 Re S
• Calculated formula: C14.5 H17 N4 O6.5 Re S
• Title of publication: Effect of the triphenylphosphonium cation on the biological properties of new rhenium and technetium-99m fac-[M(CO)3(NSN)]±-type complexes: Synthesis, structural characterization, in vitro and in vivo studies
• Authors of publication: Kyriazopoulos, Achilleas; Alexiou, Aikaterini-Lamprini; Miliotou, Androulla; Papadopoulou, Lefkothea; Hatzidimitriou, Antonios; Papagiannopoulou, Dionysia
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119807
• a: 8.4875 ± 0.0005 Å
• b: 10.6929 ± 0.0006 Å
• c: 12.8734 ± 0.0008 Å
• α: 70.13 ± 0.003°
• β: 84.944 ± 0.003°
• γ: 78.415 ± 0.003°
• Cell volume: 1076.15 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No