Information card for entry 7057982

Structure parameters

• Formula: C24 H15 N2 O7 Re
• Calculated formula: C24 H15 N2 O7 Re
• Title of publication: Luminescent fac-[Re(CO)3(phen)] carboxylato complexes with non-steroidal anti-inflammatory drugs: synthesis and mechanistic insights into the in vitro anticancer activity of fac-[Re(CO)3(phen)(aspirin)]
• Authors of publication: Skiba, Joanna; Kowalczyk, Aleksandra; Stączek, Paweł; Bernaś, Tytus; Trzybiński, Damian; Woźniak, Krzysztof; Schatzschneider, Ulrich; Czerwieniec, Rafał; Kowalski, Konrad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 573
• a: 10.7471 ± 0.0003 Å
• b: 12.2015 ± 0.0003 Å
• c: 16.6996 ± 0.0004 Å
• α: 90°
• β: 92.127 ± 0.002°
• γ: 90°
• Cell volume: 2188.32 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No