Information card for entry 7712569

Structure parameters

• Formula: C14 H9 Br2 N2 O3 Re
• Calculated formula: C14 H9 Br2 N2 O3 Re
• SMILES: [Re]1(Br)([n]2ccccc2c2[n]1cc(cc2)CBr)(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: 10.9912 ± 0.0004 Å
• b: 12.2942 ± 0.0004 Å
• c: 12.4352 ± 0.0005 Å
• α: 90°
• β: 97.928 ± 0.003°
• γ: 90°
• Cell volume: 1664.28 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No