Information card for entry 7030413

Structure parameters

• Formula: C11 H24 Co F9 N4 O11 S3
• Calculated formula: C11 H24 Co F9 N4 O11 S3
• SMILES: [Co]123([OH2])([NH]4CC[NH]1CC[NH]2CC[NH]3CC4)[OH2].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Syntheses of 8-quinolinolatocobalt(III) complexes containing cyclen based auxiliary ligands as models for hypoxia-activated prodrugs.
• Authors of publication: Chang, John Yu-Chih; Stevenson, Ralph J.; Lu, Guo-Liang; Brothers, Penelope J.; Clark, George R.; Denny, William A.; Ware, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11535 - 11550
• a: 8.7978 ± 0.0001 Å
• b: 22.2897 ± 0.0004 Å
• c: 12.987 ± 0.0002 Å
• α: 90°
• β: 96.716 ± 0.001°
• γ: 90°
• Cell volume: 2529.28 ± 0.07 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 7
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No