Information card for entry 4126483

Structure parameters

• Formula: C17 H15 B0.93 Cl0.07 F3.73 N3 O5 Re
• Calculated formula: C17 H15 B0.932 Cl0.068 F3.728 N3 O5 Re
• Title of publication: In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes
• Authors of publication: Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.9967 ± 0.0007 Å
• b: 17.2578 ± 0.0012 Å
• c: 12.1669 ± 0.0009 Å
• α: 90°
• β: 97.033 ± 0.003°
• γ: 90°
• Cell volume: 2083.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 8
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No