Information card for entry 7030745

Structure parameters

• Common name: [CoCl(BQPA)]PF6
• Formula: C26 H22 Cl Co F6 N4 P
• Calculated formula: C26 H22 Cl Co F6 N4 P
• SMILES: [Co]123(Cl)[N](Cc4[n]1c1c(cc4)cccc1)(Cc1[n]2c2c(cc1)cccc2)Cc1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Efficient hydrolytic cleavage of plasmid DNA by chloro-cobalt(ii) complexes based on sterically hindered pyridyl tripod tetraamine ligands: synthesis, crystal structure and DNA cleavage.
• Authors of publication: Massoud, Salah S.; Perkins, Richard S.; Louka, Febee R.; Xu, Wu; Le Roux, Anne; Dutercq, Quentin; Fischer, Roland C.; Mautner, Franz A.; Handa, Makoto; Hiraoka, Yuya; Kreft, Gabriel L.; Bortolotto, Tiago; Terenzi, Hernán
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10086 - 10103
• a: 33.652 ± 0.002 Å
• b: 9.7685 ± 0.0006 Å
• c: 15.7094 ± 0.0009 Å
• α: 90°
• β: 90.83 ± 0.002°
• γ: 90°
• Cell volume: 5163.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No