Information card for entry 7712572

Structure parameters

• Formula: C14 H8 Br F2 N2 O3 Re
• Calculated formula: C14 H8 Br F2 N2 O3 Re
• SMILES: [Re]1(Br)([n]2ccccc2c2[n]1cc(cc2)C(F)F)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.
• Authors of publication: Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.7874 ± 0.0005 Å
• b: 11.5066 ± 0.0002 Å
• c: 8.8657 ± 0.0003 Å
• α: 90°
• β: 92.42 ± 0.003°
• γ: 90°
• Cell volume: 1507.18 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No