Information card for entry 7056721

Structure parameters

• Formula: C29 H27 B Br Co F4 N4 O5
• Calculated formula: C29 H27.002 B Br Co F4 N4 O5.001
• Title of publication: Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs
• Authors of publication: Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 10.23899 ± 0.00016 Å
• b: 8.76417 ± 0.00012 Å
• c: 33.1396 ± 0.0004 Å
• α: 90°
• β: 93.9895 ± 0.0013°
• γ: 90°
• Cell volume: 2966.62 ± 0.07 ų
• Cell temperature: 149.8 ± 0.2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 8
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No