Information card for entry 4333695

Structure parameters

• Formula: C34 H28 B Co F4 N4 O7
• Calculated formula: C34 H28 B Co F4 N4 O7
• SMILES: [Co]1234(OC5=C(C(=O)c6c(C5=O)cccc6)C5=C(O1)C(=O)c1c(C5=O)cccc1)[n]1c(C[NH]3CC[NH]4Cc3[n]2cccc3)cccc1.[B](F)(F)(F)[F-].O
• Title of publication: Lawsone Dimerization in Cobalt(III) Complexes toward the Design of New Prototypes of Bioreductive Prodrugs
• Authors of publication: Francisco L. S. Bustamante; Julia M. Metello; Frederico A. V. de Castro; Carlos B. Pinheiro; Marcos D. Pereira; Mauricio Lanznaster
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1167 - 1169
• a: 9.8632 ± 0.0003 Å
• b: 12.1049 ± 0.0003 Å
• c: 14.5903 ± 0.0004 Å
• α: 100.557 ± 0.002°
• β: 98.626 ± 0.002°
• γ: 108.557 ± 0.002°
• Cell volume: 1582.39 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No