Information card for entry 7003005

Structure parameters

• Chemical name: fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-(5-methyl-5'-carboxyl- 2,2'-bipyridine)-ruthenium(II) bis(triflate)
• Formula: C22 H28 F6 N2 O9 Ru S6
• Calculated formula: C22 H28 F6 N2 O9 Ru S6
• SMILES: [Ru]123([S]4CC[S]1CC[S]2CC4)([S](=O)(C)C)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)O)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthetic strategies towards ruthenium‒porphyrin conjugates for anticancer activity
• Authors of publication: Gianferrara, Teresa; Bratsos, Ioannis; Iengo, Elisabetta; Milani, Barbara; Oštrić, Adrian; Spagnul, Cinzia; Zangrando, Ennio; Alessio, Enzo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10742 - 10756
• a: 10.026 ± 0.003 Å
• b: 23.075 ± 0.004 Å
• c: 14.057 ± 0.003 Å
• α: 90°
• β: 96.4 ± 0.02°
• γ: 90°
• Cell volume: 3231.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No