Information card for entry 7057983

Structure parameters

• Formula: C28 H25 N2 O5 Re
• Calculated formula: C28 H25 N2 O5 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: 17.8677 ± 0.0005 Å
• b: 12.9186 ± 0.0004 Å
• c: 10.731 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.99 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No