Information card for entry 7055631

Structure parameters

• Formula: C17 H13 Cl N3 O4 Re
• Calculated formula: C17 H13 Cl N3 O4 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2)C(=[N]1NC(=O)c1ccccc1)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer
• Authors of publication: Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7379
• a: 12.6872 ± 0.0002 Å
• b: 9.572 ± 0.0002 Å
• c: 14.983 ± 0.0002 Å
• α: 90°
• β: 98.3 ± 0.002°
• γ: 90°
• Cell volume: 1800.51 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No