Information card for entry 7055632

Structure parameters

• Formula: C19 H18 Cl2 N3 O5 Re S
• Calculated formula: C19 H18 Cl2 N3 O5 Re S
• SMILES: [Re]1(Cl)([n]2c(cccc2)C(=[N]1NC(=O)c1ccc(Cl)cc1)C)(C#[O])(C#[O])C#[O].S(=O)(C)C
• 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: 8.7687 ± 0.0004 Å
• b: 11.1002 ± 0.0005 Å
• c: 12.9282 ± 0.0005 Å
• α: 113.002 ± 0.004°
• β: 97.163 ± 0.004°
• γ: 93.603 ± 0.004°
• Cell volume: 1140.66 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No