Information card for entry 7712574

Structure parameters

• Formula: C14 H10 Br N2 O4 Re
• Calculated formula: C14 H10 Br N2 O4 Re
• SMILES: [Re]1(Br)([n]2c(cccc2c2[n]1cccc2)CO)(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: 7.7857 ± 0.0003 Å
• b: 8.4162 ± 0.0003 Å
• c: 11.367 ± 0.0004 Å
• α: 92.44 ± 0.003°
• β: 95.136 ± 0.003°
• γ: 92.303 ± 0.003°
• Cell volume: 740.45 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No