Information card for entry 4336569

Structure parameters

• Formula: C36 H38 Cl Co F12 N6 P2
• Calculated formula: C36 H38 Cl Co F12 N6 P2
• SMILES: [Co]12(Cl)([n]3cc(c(c4c3c3[n]1cc(c(c3cc4)C)C)C)C)([n]1cc(c(c3c1c1[n]2cc(c(c1cc3)C)C)C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Water-Soluble Co(III) Complexes of Substituted Phenanthrolines with Cell Selective Anticancer Activity
• Authors of publication: Sivaraman Jagadeesan; Vimalkumar Balasubramanian; Patric Baumann; Markus Neuburger; Daniel Häussinger; Cornelia G. Palivan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12535 - 12544
• a: 11.498 ± 0.0005 Å
• b: 12.8791 ± 0.0006 Å
• c: 13.5151 ± 0.0006 Å
• α: 82.461 ± 0.002°
• β: 74.585 ± 0.002°
• γ: 87.786 ± 0.002°
• Cell volume: 1912.68 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0567
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No